#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k72 n ASN 2 N 0.00 4.73 -4.27 5.98 6.94 -1.26 -5.01 115.26 122.37 3k72 n ASN 2 Ca 0.00 -3.71 -0.37 0.00 -0.02 0.00 0.00 54.58 50.48 3k72 n ASN 2 Cb 0.00 -0.54 -0.13 0.00 -2.36 0.00 0.00 39.78 36.76 3k72 n ASN 2 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3k72 s LEU 3 N -3.54 4.24 0.20 -4.53 1.43 -1.26 -1.08 118.68 114.13 3k72 s LEU 3 Ca 0.48 -1.10 -0.33 0.00 -1.03 0.00 0.00 54.13 52.15 3k72 s LEU 3 Cb 0.34 -1.86 -0.14 0.00 0.03 0.00 0.00 46.19 44.56 3k72 s LEU 3 CO -0.17 -0.31 1.41 -0.67 0.23 0.00 0.00 176.35 176.85 3k72 n ASP 4 N 4.80 2.57 -2.38 2.29 2.03 -0.79 -4.91 116.55 120.16 3k72 n ASP 4 Ca -0.13 1.12 -0.15 0.00 0.52 0.00 0.00 54.79 56.16 3k72 n ASP 4 Cb 0.45 -1.38 0.03 0.00 -0.72 0.00 0.00 41.12 39.50 3k72 n ASP 4 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3k72 n THR 5 N 2.29 1.99 0.05 5.18 -1.04 -1.26 -4.74 114.28 116.75 3k72 n THR 5 Ca 0.14 -3.73 0.00 0.00 -2.04 0.00 0.00 64.05 58.42 3k72 n THR 5 Cb 0.29 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 3k72 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3k72 n GLU 6 N -0.63 0.00 -3.33 -2.82 -0.58 -1.26 -5.03 120.64 106.99 3k72 n GLU 6 Ca 0.28 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.57 3k72 n GLU 6 Cb 0.88 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.75 3k72 n GLU 6 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k72 s GLU 7 N -1.24 4.18 0.40 3.49 0.41 -1.26 -5.00 118.70 119.67 3k72 s GLU 7 Ca 0.00 -3.17 0.04 0.00 -0.41 0.00 0.00 54.97 51.42 3k72 s GLU 7 Cb 0.00 -4.57 -0.05 0.00 -1.78 0.00 0.00 34.13 27.74 3k72 s GLU 7 CO 0.00 -1.26 0.06 -0.48 -0.49 0.00 0.00 175.26 173.09 3k72 s LEU 8 N -1.13 2.28 0.03 1.80 0.05 -1.26 -4.92 118.68 115.53 3k72 s LEU 8 Ca 0.31 -1.51 0.01 0.00 0.05 0.00 0.00 54.13 52.99 3k72 s LEU 8 Cb -0.10 -0.47 -0.04 0.00 -2.05 0.00 0.00 46.19 43.53 3k72 s LEU 8 CO -0.08 -0.71 0.08 0.42 -0.55 0.00 0.00 176.35 175.51 3k72 s THR 9 N -3.09 4.65 -0.04 5.48 -4.23 -1.24 -5.02 115.64 112.15 3k72 s THR 9 Ca 0.27 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 3k72 s THR 9 Cb 0.06 -3.17 0.03 0.00 1.34 0.00 0.00 72.50 70.75 3k72 s THR 9 CO 0.13 0.26 0.01 0.00 -0.54 0.00 0.00 174.62 174.48 3k72 s ALA 10 N -1.27 0.43 -0.43 3.99 0.00 -1.26 -2.36 121.76 120.86 3k72 s ALA 10 Ca 0.26 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 3k72 s ALA 10 Cb -0.12 -0.51 0.10 0.00 0.00 0.00 0.00 23.12 22.59 3k72 s ALA 10 CO 0.17 -0.26 0.27 -0.06 0.00 0.00 0.00 175.76 175.88 3k72 s PHE 11 N 1.52 3.44 -1.00 0.00 0.08 -0.83 -4.95 117.98 116.24 3k72 s PHE 11 Ca -0.03 -1.92 -0.03 0.00 0.12 0.00 0.00 56.93 55.07 3k72 s PHE 11 Cb -0.13 -3.20 0.29 0.00 -0.57 0.00 0.00 43.02 39.41 3k72 s PHE 11 CO -0.03 -0.94 1.25 2.89 -0.10 0.00 0.00 175.22 178.29 3k72 n ARG 12 N 4.81 3.86 -3.03 0.44 1.85 -1.26 -1.63 116.66 121.71 3k72 n ARG 12 Ca -0.07 -4.56 -0.43 0.00 -1.00 0.00 0.00 57.85 51.79 3k72 n ARG 12 Cb 0.42 -2.47 -0.06 0.00 -1.05 0.00 0.00 32.46 29.30 3k72 n ARG 12 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3k72 s VAL 13 N -2.39 4.71 -0.97 8.89 1.01 -1.22 -4.93 120.40 125.51 3k72 s VAL 13 Ca 0.32 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.28 3k72 s VAL 13 Cb 0.03 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.17 3k72 s VAL 13 CO 0.04 -0.71 1.41 -0.62 0.00 0.00 0.00 175.10 175.22 3k72 s ASP 14 N 2.18 6.45 -0.42 3.32 2.15 -1.26 -4.72 116.67 124.37 3k72 s ASP 14 Ca 0.26 -1.30 0.11 0.00 0.43 0.00 0.00 52.55 52.05 3k72 s ASP 14 Cb -0.13 -2.56 0.37 0.00 -0.30 0.00 0.00 42.92 40.29 3k72 s ASP 14 CO 0.20 -1.55 0.85 -1.20 -0.17 0.00 0.00 175.17 173.29 3k72 n SER 15 N 8.91 2.14 0.00 -0.34 7.64 -1.26 -5.06 113.62 125.65 3k72 n SER 15 Ca 0.28 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.97 3k72 n SER 15 Cb 0.51 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3k72 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k72 n ALA 16 N 0.04 0.00 -0.09 -0.43 0.00 -1.26 -2.99 120.51 115.77 3k72 n ALA 16 Ca 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.61 3k72 n ALA 16 Cb 0.61 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.11 3k72 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k72 n GLY 17 N 0.00 3.04 3.77 0.00 0.00 -1.26 -4.70 105.19 106.03 3k72 n GLY 17 Ca 0.00 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3k72 n GLY 17 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k72 s PHE 18 N -1.04 2.56 -1.38 1.61 2.19 -1.16 -3.50 117.98 117.27 3k72 s PHE 18 Ca 0.18 1.55 -0.07 0.00 0.33 0.00 0.00 56.93 58.92 3k72 s PHE 18 Cb 0.15 -3.25 0.03 0.00 -1.31 0.00 0.00 43.02 38.64 3k72 s PHE 18 CO 0.02 -1.78 1.00 0.41 1.83 0.00 0.00 175.22 176.69 3k72 n GLY 19 N -0.20 -0.45 0.02 13.12 0.00 -1.00 -2.72 105.19 113.96 3k72 n GLY 19 Ca 0.11 0.19 0.03 0.00 0.00 0.00 0.00 46.02 46.34 3k72 n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k72 n ASP 20 N -2.99 2.41 -3.67 1.61 2.03 -1.15 -2.19 116.55 112.60 3k72 n ASP 20 Ca -0.09 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.13 3k72 n ASP 20 Cb 0.59 1.30 -0.09 0.00 -0.72 0.00 0.00 41.12 42.21 3k72 n ASP 20 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3k72 s SER 21 N -3.58 -0.62 0.09 1.67 0.15 -1.26 -4.53 113.70 105.62 3k72 s SER 21 Ca -0.04 1.12 0.01 0.00 0.70 0.00 0.00 55.95 57.74 3k72 s SER 21 Cb 0.06 1.15 -0.04 0.00 -1.71 0.00 0.00 66.02 65.49 3k72 s SER 21 CO 0.46 -0.21 -0.06 0.54 1.20 0.00 0.00 173.24 175.16 3k72 s VAL 22 N 1.81 0.62 0.02 4.45 0.11 -1.26 -0.16 120.40 125.99 3k72 s VAL 22 Ca -0.08 -1.81 -0.20 0.00 -2.93 0.00 0.00 61.98 56.97 3k72 s VAL 22 Cb -0.09 -1.52 0.04 0.00 -1.53 0.00 0.00 36.38 33.28 3k72 s VAL 22 CO -0.15 -0.82 0.44 0.54 -3.33 0.00 0.00 175.10 171.77 3k72 s VAL 23 N -3.36 0.05 -0.55 2.04 0.11 -0.79 -4.49 120.40 113.41 3k72 s VAL 23 Ca 0.08 -0.38 -0.28 0.00 -2.93 0.00 0.00 61.98 58.47 3k72 s VAL 23 Cb 0.04 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 3k72 s VAL 23 CO -0.05 -0.21 1.30 -1.10 -3.33 0.00 0.00 175.10 171.71 3k72 s GLN 24 N -2.02 3.45 1.20 1.54 -1.52 -1.26 -2.53 119.66 118.52 3k72 s GLN 24 Ca -0.08 0.42 -0.20 0.00 -1.95 0.00 0.00 55.36 53.55 3k72 s GLN 24 Cb -0.02 -4.05 0.29 0.00 -0.22 0.00 0.00 33.01 29.01 3k72 s GLN 24 CO 0.01 -1.75 1.15 -0.47 -0.25 0.00 0.00 175.29 173.98 3k72 s TYR 25 N 5.40 0.36 0.08 0.91 5.04 -1.00 -4.72 117.35 123.42 3k72 s TYR 25 Ca 0.49 0.37 -0.17 0.00 -2.44 0.00 0.00 57.07 55.32 3k72 s TYR 25 Cb -0.09 -3.61 -0.10 0.00 0.35 0.00 0.00 41.96 38.51 3k72 s TYR 25 CO 0.26 -3.86 0.36 0.00 -1.34 0.00 0.00 175.55 170.98 3k72 n ALA 26 N -4.70 -2.05 -0.41 3.97 0.00 -1.26 -4.59 120.51 111.46 3k72 n ALA 26 Ca 0.15 0.26 0.40 0.00 0.00 0.00 0.00 53.44 54.25 3k72 n ALA 26 Cb 0.60 -0.88 0.70 0.00 0.00 0.00 0.00 19.45 19.87 3k72 n ALA 26 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3k72 h ASN 27 N 0.84 0.00 1.19 0.00 2.35 -1.91 -0.59 115.58 117.45 3k72 h ASN 27 Ca -0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 3k72 h ASN 27 Cb 0.77 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 3k72 h ASN 27 CO 0.32 0.00 -0.04 0.28 -1.65 0.00 0.00 177.43 176.33 3k72 h SER 28 N 0.00 0.00 -5.20 5.81 0.02 -1.84 -3.30 113.55 109.04 3k72 h SER 28 Ca 0.66 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.50 3k72 h SER 28 Cb 2.93 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 65.32 3k72 h SER 28 CO -0.01 0.04 -0.63 0.26 -1.14 0.00 0.00 176.83 175.36 3k72 s TRP 29 N -3.58 0.43 -0.07 3.45 0.52 -0.23 -4.51 118.94 114.96 3k72 s TRP 29 Ca 0.02 -0.93 0.02 0.00 0.02 0.00 0.00 56.10 55.23 3k72 s TRP 29 Cb 0.08 -0.31 0.01 0.00 -1.15 0.00 0.00 33.47 32.10 3k72 s TRP 29 CO 0.58 -0.39 -0.13 0.54 0.02 0.00 0.00 176.95 177.57 3k72 s VAL 30 N -3.69 1.20 -0.21 4.03 0.11 -0.99 -2.38 120.40 118.47 3k72 s VAL 30 Ca 0.05 -0.52 -0.08 0.00 -2.93 0.00 0.00 61.98 58.50 3k72 s VAL 30 Cb 0.06 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 3k72 s VAL 30 CO -0.09 0.37 0.08 -0.69 -3.33 0.00 0.00 175.10 171.43 3k72 s VAL 31 N 0.63 4.70 0.35 2.04 1.01 -1.05 -2.11 120.40 125.97 3k72 s VAL 31 Ca -0.15 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 61.86 3k72 s VAL 31 Cb -0.16 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3k72 s VAL 31 CO 0.04 0.41 0.27 0.68 0.00 0.00 0.00 175.10 176.50 3k72 s VAL 32 N 0.85 3.33 -0.01 2.92 -7.23 -0.91 -1.88 120.40 117.46 3k72 s VAL 32 Ca 0.04 -1.43 0.07 0.00 -1.81 0.00 0.00 61.98 58.85 3k72 s VAL 32 Cb -0.14 -3.12 -0.02 0.00 0.56 0.00 0.00 36.38 33.66 3k72 s VAL 32 CO 0.02 -0.15 -0.21 -0.83 -0.31 0.00 0.00 175.10 173.62 3k72 s GLY 33 N -3.98 1.03 -0.44 2.32 0.00 0.78 -3.34 107.32 103.69 3k72 s GLY 33 Ca 0.41 -0.92 0.06 0.00 0.00 0.00 0.00 44.72 44.27 3k72 s GLY 33 CO 0.26 -0.77 0.45 0.00 0.00 0.00 0.00 173.10 173.03 3k72 n ALA 34 N 2.50 2.83 -0.30 3.20 0.00 -1.13 -2.37 120.51 125.24 3k72 n ALA 34 Ca -0.15 -3.44 0.12 0.00 0.00 0.00 0.00 53.44 49.96 3k72 n ALA 34 Cb 0.53 -0.81 0.35 0.00 0.00 0.00 0.00 19.45 19.53 3k72 n ALA 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3k72 h PRO 35 N 4.92 0.72 -1.03 0.00 0.11 -1.68 -2.19 132.00 132.85 3k72 h PRO 35 Ca 0.18 -0.04 -0.50 0.00 0.11 0.00 0.00 66.00 65.75 3k72 h PRO 35 Cb 0.87 -0.16 -0.27 0.00 0.11 0.00 0.00 31.00 31.55 3k72 h PRO 35 CO 0.46 0.47 0.63 1.04 -0.21 0.00 0.00 178.00 180.40 3k72 n GLN 36 N -4.60 2.20 -2.92 1.05 3.00 -1.26 -3.46 117.38 111.38 3k72 n GLN 36 Ca 0.19 -2.72 -0.44 0.00 -0.01 0.00 0.00 57.00 54.02 3k72 n GLN 36 Cb 0.49 -2.07 -0.00 0.00 0.00 0.00 0.00 30.24 28.66 3k72 n GLN 36 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 3k72 s LYS 37 N -3.04 4.08 -0.08 -1.09 2.20 -0.83 -4.16 119.74 116.83 3k72 s LYS 37 Ca 0.52 -2.54 -0.40 0.00 -0.36 0.00 0.00 55.97 53.19 3k72 s LYS 37 Cb 0.43 -5.09 -0.19 0.00 -1.51 0.00 0.00 37.83 31.47 3k72 s LYS 37 CO 0.07 -1.80 1.26 -0.89 -0.36 0.00 0.00 175.35 173.63 3k72 n ILE 38 N 4.73 0.02 -3.74 5.43 5.41 -1.26 -3.95 119.36 126.01 3k72 n ILE 38 Ca 0.37 -0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.96 3k72 n ILE 38 Cb 0.43 -0.33 -0.16 0.00 -0.71 0.00 0.00 39.64 38.87 3k72 n ILE 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3k72 s THR 39 N 0.82 -0.08 0.00 1.39 -4.23 -1.21 -4.99 115.64 107.33 3k72 s THR 39 Ca 0.92 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 3k72 s THR 39 Cb -1.23 -0.14 0.00 0.00 1.34 0.00 0.00 72.50 72.47 3k72 s THR 39 CO 0.59 0.11 0.00 0.00 -0.54 0.00 0.00 174.62 174.78 3k72 n ALA 40 N 4.47 0.00 -2.91 3.99 0.00 -1.26 -3.07 120.51 121.73 3k72 n ALA 40 Ca -0.22 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.79 3k72 n ALA 40 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 3k72 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k72 s ALA 41 N -1.97 3.29 -1.03 0.00 0.00 -1.26 -4.51 121.76 116.28 3k72 s ALA 41 Ca 0.00 -1.90 -0.15 0.00 0.00 0.00 0.00 51.96 49.90 3k72 s ALA 41 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.54 3k72 s ALA 41 CO 0.00 -2.40 0.29 0.09 0.00 0.00 0.00 175.76 173.74 3k72 n ASN 42 N 6.81 -1.44 0.00 0.00 3.02 -1.26 -4.66 115.26 117.73 3k72 n ASN 42 Ca -0.06 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 3k72 n ASN 42 Cb 0.44 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 3k72 n ASN 42 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3k72 n GLN 43 N -3.94 1.02 0.00 3.52 7.27 -1.18 -1.22 117.38 122.85 3k72 n GLN 43 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.91 3k72 n GLN 43 Cb 0.47 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.12 3k72 n GLN 43 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3k72 n THR 44 N 0.00 0.00 0.00 1.69 -2.24 -1.26 -3.52 114.28 108.95 3k72 n THR 44 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3k72 n THR 44 Cb 0.00 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 3k72 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k72 n GLY 45 N 4.19 0.08 0.00 3.38 0.00 -1.23 -3.34 105.19 108.28 3k72 n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k72 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k72 n GLY 46 N 3.60 4.41 3.57 -0.02 0.00 -1.19 -4.43 105.19 111.13 3k72 n GLY 46 Ca 0.00 -1.48 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 3k72 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k72 s LEU 47 N 0.00 2.84 -0.05 0.99 1.43 -1.26 -2.85 118.68 119.78 3k72 s LEU 47 Ca 0.00 -1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.06 3k72 s LEU 47 Cb 0.00 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 45.02 3k72 s LEU 47 CO 0.00 -0.13 0.09 -0.31 0.23 0.00 0.00 176.35 176.22 3k72 s TYR 48 N -2.52 -0.04 -0.13 0.29 2.02 -1.21 -3.13 117.35 112.62 3k72 s TYR 48 Ca 0.33 0.32 -0.09 0.00 -0.37 0.00 0.00 57.07 57.25 3k72 s TYR 48 Cb -0.01 -0.26 -0.05 0.00 -0.40 0.00 0.00 41.96 41.24 3k72 s TYR 48 CO 0.18 -0.16 0.18 1.14 -1.57 0.00 0.00 175.55 175.32 3k72 s GLN 49 N 1.55 3.79 -0.03 -0.62 -2.07 -0.99 -2.14 119.66 119.13 3k72 s GLN 49 Ca -0.04 -0.07 0.04 0.00 -1.82 0.00 0.00 55.36 53.47 3k72 s GLN 49 Cb -0.12 -3.28 -0.00 0.00 -1.09 0.00 0.00 33.01 28.51 3k72 s GLN 49 CO -0.04 0.58 -0.15 0.00 -1.32 0.00 0.00 175.29 174.35 3k72 s GLY 51 N -0.04 1.68 -0.00 0.00 0.00 -1.25 -2.34 107.32 105.37 3k72 s GLY 51 Ca -0.01 -1.39 -0.20 0.00 0.00 0.00 0.00 44.72 43.12 3k72 s GLY 51 CO 0.01 -1.41 1.04 -1.82 0.00 0.00 0.00 173.10 170.91 3k72 h TYR 52 N 2.40 0.66 -0.73 1.90 3.20 -1.87 -3.36 116.97 119.17 3k72 h TYR 52 Ca -0.47 -0.40 0.07 0.00 3.14 0.00 0.00 58.73 61.06 3k72 h TYR 52 Cb 1.21 -0.06 -0.09 0.00 1.54 0.00 0.00 36.73 39.34 3k72 h TYR 52 CO 0.62 1.26 -0.43 0.43 -1.64 0.00 0.00 178.16 178.39 3k72 n SER 53 N -4.12 -0.77 -4.38 -2.11 7.64 -1.26 -4.05 113.62 104.57 3k72 n SER 53 Ca -0.12 1.40 -0.33 0.00 1.01 0.00 0.00 58.87 60.83 3k72 n SER 53 Cb 0.77 -0.22 -0.14 0.00 -1.01 0.00 0.00 64.21 63.61 3k72 n SER 53 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k72 s THR 54 N -5.11 3.14 -1.21 0.44 -4.23 -1.26 -5.04 115.64 102.37 3k72 s THR 54 Ca -0.09 -0.63 -0.21 0.00 -1.18 0.00 0.00 61.69 59.58 3k72 s THR 54 Cb 0.08 -2.33 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 3k72 s THR 54 CO 0.45 0.52 1.88 0.61 -0.54 0.00 0.00 174.62 177.54 3k72 n GLY 55 N 3.53 1.53 3.53 3.99 0.00 -1.26 -4.47 105.19 112.05 3k72 n GLY 55 Ca -0.18 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 3k72 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 s ALA 56 N 8.91 -1.80 -0.18 4.61 0.00 -1.26 -5.03 121.76 127.00 3k72 s ALA 56 Ca 0.64 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.93 3k72 s ALA 56 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3k72 s ALA 56 CO 0.12 -0.37 -0.06 0.00 0.00 0.00 0.00 175.76 175.45 3k72 s GLU 58 N 0.97 3.95 0.80 0.00 0.41 -0.69 -4.95 118.70 119.19 3k72 s GLU 58 Ca -0.00 -0.03 -0.14 0.00 -0.41 0.00 0.00 54.97 54.38 3k72 s GLU 58 Cb -0.15 -3.33 0.03 0.00 -1.78 0.00 0.00 34.13 28.91 3k72 s GLU 58 CO 0.00 0.47 0.85 -2.30 -0.49 0.00 0.00 175.26 173.79 3k72 n PRO 59 N 2.87 0.17 -4.78 0.39 -0.02 -1.26 -2.36 135.00 130.01 3k72 n PRO 59 Ca -0.16 0.12 -0.33 0.00 -2.02 0.00 0.00 63.50 61.11 3k72 n PRO 59 Cb 0.53 -2.14 -0.14 0.00 -0.02 0.00 0.00 33.50 31.73 3k72 n PRO 59 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3k72 s ILE 60 N -2.08 3.08 0.27 4.25 2.07 -1.18 -4.78 121.20 122.83 3k72 s ILE 60 Ca 0.68 -0.66 -0.30 0.00 -1.41 0.00 0.00 60.65 58.96 3k72 s ILE 60 Cb -0.30 -2.28 -0.10 0.00 0.13 0.00 0.00 42.46 39.91 3k72 s ILE 60 CO 0.56 0.53 1.43 -0.83 -1.91 0.00 0.00 174.94 174.72 3k72 s GLY 61 N 0.19 2.44 -0.13 1.50 0.00 -1.26 -4.79 107.32 105.28 3k72 s GLY 61 Ca -0.08 1.35 -0.11 0.00 0.00 0.00 0.00 44.72 45.89 3k72 s GLY 61 CO 0.05 2.25 0.33 1.08 0.00 0.00 0.00 173.10 176.81 3k72 s LEU 62 N -0.69 0.61 -1.16 0.66 1.43 -1.26 -5.08 118.68 113.18 3k72 s LEU 62 Ca 0.58 0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 54.27 3k72 s LEU 62 Cb -0.42 1.11 0.24 0.00 0.03 0.00 0.00 46.19 47.15 3k72 s LEU 62 CO 0.46 -0.13 1.49 0.00 0.23 0.00 0.00 176.35 178.41 3k72 n GLN 63 N 3.21 3.86 -2.02 1.70 3.00 -1.26 -5.00 117.38 120.86 3k72 n GLN 63 Ca -0.15 -4.15 -0.42 0.00 -0.01 0.00 0.00 57.00 52.26 3k72 n GLN 63 Cb 0.57 -2.72 -0.03 0.00 0.00 0.00 0.00 30.24 28.06 3k72 n GLN 63 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3k72 s VAL 64 N -0.89 3.48 0.44 5.09 1.01 -1.26 -4.96 120.40 123.31 3k72 s VAL 64 Ca 0.35 0.47 -0.25 0.00 0.00 0.00 0.00 61.98 62.54 3k72 s VAL 64 Cb 0.01 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 3k72 s VAL 64 CO 0.02 -0.51 1.38 -2.84 0.00 0.00 0.00 175.10 173.16 3k72 s PRO 65 N 5.85 3.78 0.60 2.72 0.02 -1.26 -4.87 135.00 141.84 3k72 s PRO 65 Ca 0.77 2.32 0.30 0.00 0.02 0.00 0.00 61.00 64.41 3k72 s PRO 65 Cb -0.20 -2.69 1.74 0.00 0.02 0.00 0.00 34.50 33.37 3k72 s PRO 65 CO 0.31 -0.71 2.14 -1.35 -0.33 0.00 0.00 177.00 177.07 3k72 h PRO 66 N 2.44 0.00 0.21 5.54 0.11 -2.05 -2.59 132.00 135.66 3k72 h PRO 66 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3k72 h PRO 66 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3k72 h PRO 66 CO 0.62 0.00 -0.13 0.93 -0.21 0.00 0.00 178.00 179.21 3k72 h GLU 67 N 0.00 -0.32 -6.30 1.05 4.39 -1.98 -3.40 114.58 108.02 3k72 h GLU 67 Ca 0.06 0.02 -0.57 0.00 0.34 0.00 0.00 59.36 59.22 3k72 h GLU 67 Cb 0.38 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3k72 h GLU 67 CO -0.00 -0.21 1.07 0.00 -1.16 0.00 0.00 179.01 178.71 3k72 s ALA 68 N -6.14 3.32 0.13 3.43 0.00 -0.98 -4.77 121.76 116.75 3k72 s ALA 68 Ca -0.15 0.36 0.10 0.00 0.00 0.00 0.00 51.96 52.27 3k72 s ALA 68 Cb 0.06 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 3k72 s ALA 68 CO 0.65 -1.85 -0.24 0.08 0.00 0.00 0.00 175.76 174.40 3k72 s VAL 69 N 4.85 2.03 -1.47 0.00 1.01 -1.26 -4.74 120.40 120.82 3k72 s VAL 69 Ca 0.66 -1.72 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 3k72 s VAL 69 Cb -0.22 -1.84 0.19 0.00 0.00 0.00 0.00 36.38 34.51 3k72 s VAL 69 CO 0.27 -0.02 0.47 -3.20 0.00 0.00 0.00 175.10 172.61 3k72 n ASN 70 N 0.85 -1.45 0.08 3.32 5.15 -0.36 -1.18 115.26 121.68 3k72 n ASN 70 Ca -0.18 -0.96 0.13 0.00 -0.60 0.00 0.00 54.58 52.97 3k72 n ASN 70 Cb 0.54 -1.27 0.29 0.00 -0.53 0.00 0.00 39.78 38.81 3k72 n ASN 70 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 3k72 n MET 71 N -3.32 0.28 -3.66 1.20 0.00 -1.13 -4.42 117.12 106.07 3k72 n MET 71 Ca 0.09 0.15 -0.26 0.00 0.00 0.00 0.00 57.70 57.69 3k72 n MET 71 Cb 0.36 -1.75 0.01 0.00 0.00 0.00 0.00 33.22 31.84 3k72 n MET 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 3k72 n SER 72 N -2.20 -4.56 -4.71 3.17 7.64 -1.23 -3.30 113.62 108.44 3k72 n SER 72 Ca 0.04 -0.80 -0.30 0.00 1.01 0.00 0.00 58.87 58.82 3k72 n SER 72 Cb 0.44 -1.48 0.14 0.00 -1.01 0.00 0.00 64.21 62.29 3k72 n SER 72 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3k72 s LEU 73 N -4.39 2.26 0.00 -3.43 0.05 -1.26 -3.90 118.68 108.01 3k72 s LEU 73 Ca 0.06 1.53 0.00 0.00 0.05 0.00 0.00 54.13 55.77 3k72 s LEU 73 Cb -0.01 -3.94 0.00 0.00 -2.05 0.00 0.00 46.19 40.19 3k72 s LEU 73 CO 0.84 -2.69 0.00 0.61 -0.55 0.00 0.00 176.35 174.56 3k72 n GLY 74 N -1.01 3.31 0.30 -3.48 0.00 0.11 -3.05 105.19 101.37 3k72 n GLY 74 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 3k72 n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k72 h LEU 75 N 0.00 0.47 -8.66 0.99 5.85 -1.67 -3.39 115.31 108.89 3k72 h LEU 75 Ca 0.00 0.09 -0.66 0.00 0.84 0.00 0.00 57.88 58.15 3k72 h LEU 75 Cb 0.00 0.02 -0.26 0.00 0.37 0.00 0.00 40.66 40.79 3k72 h LEU 75 CO 0.00 0.20 -0.77 -0.55 -0.34 0.00 0.00 178.44 176.99 3k72 s SER 76 N -5.42 4.00 0.19 1.25 0.15 -1.26 -4.80 113.70 107.81 3k72 s SER 76 Ca -0.12 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.25 3k72 s SER 76 Cb 0.21 -1.48 -0.05 0.00 -1.71 0.00 0.00 66.02 62.99 3k72 s SER 76 CO 0.77 0.20 -0.02 -0.76 1.20 0.00 0.00 173.24 174.63 3k72 s LEU 77 N 0.17 2.20 -0.29 3.45 1.43 -1.26 -2.46 118.68 121.92 3k72 s LEU 77 Ca -0.07 -1.16 -0.25 0.00 -1.03 0.00 0.00 54.13 51.61 3k72 s LEU 77 Cb -0.15 -0.17 0.16 0.00 0.03 0.00 0.00 46.19 46.05 3k72 s LEU 77 CO 0.05 -0.51 1.23 0.00 0.23 0.00 0.00 176.35 177.35 3k72 s ALA 78 N -3.53 -2.09 0.01 4.21 0.00 -0.70 -4.54 121.76 115.12 3k72 s ALA 78 Ca 0.24 1.78 0.02 0.00 0.00 0.00 0.00 51.96 54.00 3k72 s ALA 78 Cb 0.05 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 3k72 s ALA 78 CO 0.05 -0.17 -0.06 0.45 0.00 0.00 0.00 175.76 176.03 3k72 s SER 79 N 0.09 0.66 0.37 0.00 0.15 -1.26 -0.45 113.70 113.26 3k72 s SER 79 Ca 0.05 -0.22 0.08 0.00 0.70 0.00 0.00 55.95 56.56 3k72 s SER 79 Cb -0.05 -0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.17 3k72 s SER 79 CO -0.11 -0.01 0.12 0.28 1.20 0.00 0.00 173.24 174.72 3k72 s THR 80 N -0.47 2.58 -0.27 6.45 -1.32 -1.01 -4.83 115.64 116.78 3k72 s THR 80 Ca -0.01 -1.78 0.03 0.00 -1.21 0.00 0.00 61.69 58.72 3k72 s THR 80 Cb -0.04 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 68.02 3k72 s THR 80 CO -0.00 -0.10 0.41 0.35 -2.21 0.00 0.00 174.62 173.06 3k72 n THR 81 N -1.13 0.00 0.00 5.08 -2.24 -1.26 -3.22 114.28 111.51 3k72 n THR 81 Ca -0.02 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3k72 n THR 81 Cb 0.63 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 3k72 n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3k72 n SER 82 N -0.30 0.00 -4.86 3.42 7.64 -1.26 -3.75 113.62 114.51 3k72 n SER 82 Ca 0.01 0.65 -0.34 0.00 1.01 0.00 0.00 58.87 60.21 3k72 n SER 82 Cb 0.06 -0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 62.88 3k72 n SER 82 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3k72 s PRO 83 N -1.74 3.82 -0.19 1.43 0.02 -1.26 -5.08 135.00 132.01 3k72 s PRO 83 Ca 0.00 0.27 -0.28 0.00 0.02 0.00 0.00 61.00 61.00 3k72 s PRO 83 Cb 0.00 -2.91 -0.05 0.00 0.02 0.00 0.00 34.50 31.56 3k72 s PRO 83 CO 0.00 0.49 2.19 -1.54 -0.33 0.00 0.00 177.00 177.80 3k72 s SER 84 N -1.90 5.57 0.21 2.53 1.04 -1.25 -4.82 113.70 115.10 3k72 s SER 84 Ca 0.37 1.98 0.01 0.00 0.48 0.00 0.00 55.95 58.80 3k72 s SER 84 Cb -0.14 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 3k72 s SER 84 CO 0.19 -1.85 0.06 -1.10 0.98 0.00 0.00 173.24 171.52 3k72 s GLN 85 N 6.12 1.25 0.07 4.02 -0.21 -1.20 -4.52 119.66 125.19 3k72 s GLN 85 Ca 0.99 -1.65 0.02 0.00 0.02 0.00 0.00 55.36 54.74 3k72 s GLN 85 Cb -0.34 -0.21 -0.03 0.00 1.00 0.00 0.00 33.01 33.42 3k72 s GLN 85 CO 0.36 -0.23 -0.07 -1.17 -2.12 0.00 0.00 175.29 172.06 3k72 s LEU 86 N -3.23 2.41 -0.22 2.90 0.20 -1.25 -2.39 118.68 117.09 3k72 s LEU 86 Ca 0.32 -0.83 -0.04 0.00 0.69 0.00 0.00 54.13 54.27 3k72 s LEU 86 Cb 0.07 -0.08 0.07 0.00 -0.43 0.00 0.00 46.19 45.83 3k72 s LEU 86 CO 0.09 -0.38 0.08 -0.22 -0.29 0.00 0.00 176.35 175.63 3k72 s LEU 87 N -2.47 0.80 0.24 -0.68 2.96 0.41 -2.53 118.68 117.40 3k72 s LEU 87 Ca 0.03 -0.91 0.05 0.00 -0.22 0.00 0.00 54.13 53.08 3k72 s LEU 87 Cb -0.00 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 3k72 s LEU 87 CO -0.03 -0.36 0.31 0.00 -1.32 0.00 0.00 176.35 174.95 3k72 s ALA 88 N 2.00 3.84 -0.13 5.97 0.00 -1.03 -1.72 121.76 130.69 3k72 s ALA 88 Ca 0.03 -1.26 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 3k72 s ALA 88 Cb -0.16 -1.62 0.04 0.00 0.00 0.00 0.00 23.12 21.37 3k72 s ALA 88 CO -0.16 0.27 0.34 0.00 0.00 0.00 0.00 175.76 176.21 3k72 s GLY 90 N 0.67 1.77 -0.05 0.00 0.00 -0.16 0.08 107.32 109.64 3k72 s GLY 90 Ca -0.04 -1.81 0.02 0.00 0.00 0.00 0.00 44.72 42.88 3k72 s GLY 90 CO -0.04 1.49 0.90 -1.05 0.00 0.00 0.00 173.10 174.39 3k72 n PRO 91 N 6.19 1.44 -2.74 2.90 -0.02 -1.23 -0.33 135.00 141.21 3k72 n PRO 91 Ca -0.07 -0.49 -0.03 0.00 -2.02 0.00 0.00 63.50 60.89 3k72 n PRO 91 Cb 0.45 -1.43 0.08 0.00 -0.02 0.00 0.00 33.50 32.58 3k72 n PRO 91 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k72 n THR 92 N 0.16 0.72 -2.06 3.45 -2.24 -1.21 -4.68 114.28 108.43 3k72 n THR 92 Ca 0.07 -2.25 -0.40 0.00 -2.27 0.00 0.00 64.05 59.20 3k72 n THR 92 Cb 0.53 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 3k72 n THR 92 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3k72 s VAL 93 N -2.14 2.61 -0.21 2.28 1.01 -1.26 -2.82 120.40 119.87 3k72 s VAL 93 Ca 0.21 0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.77 3k72 s VAL 93 Cb 0.39 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3k72 s VAL 93 CO -0.06 0.10 -0.15 -1.00 0.00 0.00 0.00 175.10 174.00 3k72 s HIS 94 N -1.22 2.94 -0.18 5.22 3.76 -0.32 -3.03 115.29 122.46 3k72 s HIS 94 Ca 0.54 -1.73 0.00 0.00 -0.15 0.00 0.00 55.06 53.72 3k72 s HIS 94 Cb -0.39 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.36 3k72 s HIS 94 CO 0.51 -0.79 -0.17 -3.38 -0.85 0.00 0.00 174.74 170.06 3k72 s HIS 95 N 1.27 2.81 -0.40 1.40 -3.43 -1.23 -4.09 115.29 111.62 3k72 s HIS 95 Ca 0.01 -1.46 -0.29 0.00 -0.80 0.00 0.00 55.06 52.52 3k72 s HIS 95 Cb -0.15 -1.95 0.02 0.00 -1.43 0.00 0.00 32.58 29.07 3k72 s HIS 95 CO -0.09 -0.73 1.17 -1.83 -2.00 0.00 0.00 174.74 171.25 3k72 s GLU 96 N 1.27 3.84 -0.29 -0.38 -1.05 -1.26 -3.23 118.70 117.61 3k72 s GLU 96 Ca 0.04 0.85 0.12 0.00 -0.15 0.00 0.00 54.97 55.83 3k72 s GLU 96 Cb -0.14 -3.86 0.74 0.00 -0.44 0.00 0.00 34.13 30.44 3k72 s GLU 96 CO -0.10 -1.21 1.75 0.00 0.95 0.00 0.00 175.26 176.65 3k72 n GLY 98 N -0.03 1.33 0.27 0.00 0.00 -1.26 -4.50 105.19 100.99 3k72 n GLY 98 Ca 0.36 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.88 3k72 n GLY 98 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3k72 h ARG 99 N 0.00 0.16 -2.36 1.61 0.11 -2.02 -3.41 114.38 108.46 3k72 h ARG 99 Ca 0.00 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.00 3k72 h ARG 99 Cb 0.00 -0.04 -0.23 0.00 1.11 0.00 0.00 29.97 30.81 3k72 h ARG 99 CO 0.00 0.10 -0.09 0.54 0.10 0.00 0.00 179.97 180.62 3k72 s ASN 100 N -5.20 -0.64 0.64 0.08 2.20 -1.26 -5.17 114.94 105.59 3k72 s ASN 100 Ca -0.13 1.15 -0.04 0.00 -0.94 0.00 0.00 52.86 52.90 3k72 s ASN 100 Cb 0.22 1.12 0.05 0.00 -2.00 0.00 0.00 41.25 40.63 3k72 s ASN 100 CO 0.75 -0.20 0.92 0.00 -2.94 0.00 0.00 177.10 175.64 3k72 s MET 101 N 0.76 2.38 0.00 3.55 0.23 -1.26 -3.95 119.30 121.01 3k72 s MET 101 Ca -0.04 -0.40 0.00 0.00 -1.03 0.00 0.00 55.69 54.23 3k72 s MET 101 Cb -0.05 -2.28 0.00 0.00 -1.53 0.00 0.00 34.83 30.97 3k72 s MET 101 CO -0.06 -1.01 0.00 0.66 -2.03 0.00 0.00 175.02 172.58 3k72 n TYR 102 N -2.70 0.00 -4.03 3.16 4.01 -1.20 -4.97 117.16 111.43 3k72 n TYR 102 Ca 0.08 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.57 3k72 n TYR 102 Cb 0.60 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.46 3k72 n TYR 102 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k72 s LEU 103 N 0.00 1.16 -0.10 7.72 1.43 -0.53 -3.51 118.68 124.85 3k72 s LEU 103 Ca 0.00 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3k72 s LEU 103 Cb 0.00 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 3k72 s LEU 103 CO 0.00 -0.10 -0.10 1.07 0.23 0.00 0.00 176.35 177.45 3k72 n THR 104 N 4.66 0.54 0.00 5.49 5.66 -1.17 -2.01 114.28 127.46 3k72 n THR 104 Ca -0.15 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 3k72 n THR 104 Cb 0.50 -1.13 0.00 0.00 -1.55 0.00 0.00 70.33 68.16 3k72 n THR 104 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3k72 n GLY 105 N 2.80 -0.16 3.04 1.09 0.00 -1.26 -1.40 105.19 109.30 3k72 n GLY 105 Ca -0.18 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 3k72 n GLY 105 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k72 s LEU 106 N -0.93 0.29 0.35 0.99 2.96 0.56 -4.79 118.68 118.10 3k72 s LEU 106 Ca 0.00 0.53 0.09 0.00 -0.22 0.00 0.00 54.13 54.53 3k72 s LEU 106 Cb 0.00 0.72 -0.06 0.00 0.50 0.00 0.00 46.19 47.34 3k72 s LEU 106 CO 0.00 -0.18 -0.06 0.00 -1.32 0.00 0.00 176.35 174.79 3k72 s PHE 108 N -2.59 0.49 -0.27 0.00 0.08 -0.53 -2.92 117.98 112.24 3k72 s PHE 108 Ca 0.33 -0.08 -0.10 0.00 0.12 0.00 0.00 56.93 57.21 3k72 s PHE 108 Cb 0.02 -0.54 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 3k72 s PHE 108 CO 0.17 -0.18 0.15 -0.51 -0.10 0.00 0.00 175.22 174.76 3k72 s LEU 109 N 1.15 3.85 0.00 -0.37 1.43 -0.78 -2.47 118.68 121.49 3k72 s LEU 109 Ca -0.08 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3k72 s LEU 109 Cb -0.14 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3k72 s LEU 109 CO -0.02 -0.06 0.00 0.18 0.23 0.00 0.00 176.35 176.69 3k72 n LEU 110 N 5.01 0.00 0.00 1.79 4.32 -1.05 -1.79 117.00 125.28 3k72 n LEU 110 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 3k72 n LEU 110 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 3k72 n LEU 110 CO 0.32 -0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.03 3k72 n GLY 111 N 5.00 0.79 1.97 -0.72 0.00 -1.26 -3.92 105.19 107.05 3k72 n GLY 111 Ca 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 46.02 43.80 3k72 n GLY 111 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k72 n PRO 112 N -0.85 1.38 0.00 1.61 -0.02 -1.26 -4.72 135.00 131.14 3k72 n PRO 112 Ca 0.00 -0.59 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 3k72 n PRO 112 Cb 0.00 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3k72 n PRO 112 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k72 n THR 113 N 2.33 0.00 -3.37 3.45 -2.24 -1.26 -5.14 114.28 108.05 3k72 n THR 113 Ca 0.25 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.65 3k72 n THR 113 Cb 0.64 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 3k72 n THR 113 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3k72 s GLN 114 N 4.95 4.13 -1.05 -0.78 -0.21 -1.26 -5.00 119.66 120.44 3k72 s GLN 114 Ca 0.00 0.55 -0.23 0.00 0.02 0.00 0.00 55.36 55.70 3k72 s GLN 114 Cb 0.00 -3.28 -0.00 0.00 1.00 0.00 0.00 33.01 30.73 3k72 s GLN 114 CO 0.00 0.54 1.75 -0.51 -2.12 0.00 0.00 175.29 174.94 3k72 s LEU 115 N -0.66 3.36 0.64 2.90 1.43 -1.26 -4.77 118.68 120.32 3k72 s LEU 115 Ca 0.26 -1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 51.87 3k72 s LEU 115 Cb -0.17 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 3k72 s LEU 115 CO 0.15 -2.14 1.04 -0.89 0.23 0.00 0.00 176.35 174.74 3k72 s THR 116 N 7.62 4.34 -0.04 5.49 2.01 -0.74 -4.93 115.64 129.39 3k72 s THR 116 Ca 0.59 0.83 -0.01 0.00 0.31 0.00 0.00 61.69 63.41 3k72 s THR 116 Cb -0.02 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.90 3k72 s THR 116 CO -0.00 -0.93 0.03 -1.10 -0.69 0.00 0.00 174.62 171.93 3k72 s GLN 117 N -4.90 0.16 -0.43 4.92 -0.21 -1.26 -1.88 119.66 116.07 3k72 s GLN 117 Ca 0.57 0.20 0.06 0.00 0.02 0.00 0.00 55.36 56.21 3k72 s GLN 117 Cb -0.13 -0.52 0.20 0.00 1.00 0.00 0.00 33.01 33.56 3k72 s GLN 117 CO 0.50 -0.23 0.49 -2.13 -2.12 0.00 0.00 175.29 171.80 3k72 n ARG 118 N 4.68 0.43 0.05 2.91 0.63 -1.15 -4.05 116.66 120.17 3k72 n ARG 118 Ca -0.16 -2.92 0.12 0.00 -0.92 0.00 0.00 57.85 53.97 3k72 n ARG 118 Cb 0.50 -1.49 0.08 0.00 0.45 0.00 0.00 32.46 32.00 3k72 n ARG 118 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3k72 n LEU 119 N 2.34 0.67 -4.25 6.15 7.94 -1.26 -4.72 117.00 123.86 3k72 n LEU 119 Ca 0.24 0.13 -0.43 0.00 -1.11 0.00 0.00 56.01 54.84 3k72 n LEU 119 Cb 0.52 -0.13 -0.05 0.00 0.53 0.00 0.00 43.42 44.29 3k72 n LEU 119 CO 0.09 -0.03 0.21 -2.16 -1.11 0.00 0.00 177.39 174.39 3k72 s PRO 120 N -3.21 3.06 -0.28 1.96 0.04 -1.26 -4.88 135.00 130.42 3k72 s PRO 120 Ca 0.04 -2.26 0.00 0.00 0.04 0.00 0.00 61.00 58.82 3k72 s PRO 120 Cb 0.13 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.53 3k72 s PRO 120 CO 0.77 -1.25 0.00 0.28 0.04 0.00 0.00 177.00 176.84 3k72 n VAL 121 N 4.17 0.00 -2.19 -0.36 0.31 -1.26 -4.82 118.33 114.19 3k72 n VAL 121 Ca 0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.07 3k72 n VAL 121 Cb 0.43 -1.07 -0.05 0.00 -0.91 0.00 0.00 33.84 32.24 3k72 n VAL 121 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3k72 s SER 122 N -1.99 5.49 -0.38 4.52 1.04 -1.26 -4.93 113.70 116.18 3k72 s SER 122 Ca 0.00 -1.26 -0.41 0.00 0.48 0.00 0.00 55.95 54.76 3k72 s SER 122 Cb 0.00 -2.57 -0.16 0.00 0.10 0.00 0.00 66.02 63.39 3k72 s SER 122 CO 0.00 -2.50 1.90 -2.11 0.98 0.00 0.00 173.24 171.52 3k72 n ARG 123 N 8.65 0.70 -1.90 4.02 1.85 -1.26 -4.66 116.66 124.05 3k72 n ARG 123 Ca 0.41 0.23 -0.30 0.00 -1.00 0.00 0.00 57.85 57.20 3k72 n ARG 123 Cb 0.47 -1.96 -0.04 0.00 -1.05 0.00 0.00 32.46 29.89 3k72 n ARG 123 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3k72 s GLN 124 N 4.57 2.37 0.84 2.89 -0.21 -1.26 -4.93 119.66 123.92 3k72 s GLN 124 Ca 1.07 0.38 -0.12 0.00 0.02 0.00 0.00 55.36 56.71 3k72 s GLN 124 Cb -1.19 -4.72 0.10 0.00 1.00 0.00 0.00 33.01 28.20 3k72 s GLN 124 CO 0.65 -3.31 1.16 -1.21 -2.12 0.00 0.00 175.29 170.47 3k72 s GLU 125 N 7.49 1.53 1.13 2.91 2.02 -1.26 -4.99 118.70 127.54 3k72 s GLU 125 Ca 0.76 1.59 -0.13 0.00 0.02 0.00 0.00 54.97 57.21 3k72 s GLU 125 Cb -0.11 -1.78 0.26 0.00 0.10 0.00 0.00 34.13 32.60 3k72 s GLU 125 CO 0.12 -2.26 1.05 0.00 0.02 0.00 0.00 175.26 174.19 3k72 n PRO 127 N -4.73 2.68 -1.38 0.00 -0.02 -1.26 -5.17 135.00 125.12 3k72 n PRO 127 Ca 0.04 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.46 3k72 n PRO 127 Cb 0.56 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.06 3k72 n PRO 127 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3k72 n PHE 328 N 0.00 -3.00 0.00 6.00 3.72 -1.24 -5.18 117.46 117.76 3k72 n PHE 328 Ca 0.00 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 3k72 n PHE 328 Cb 0.00 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3k72 n PHE 328 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3k72 n GLU 329 N -1.42 0.00 -2.83 -1.08 -0.58 -1.26 -4.21 120.64 109.27 3k72 n GLU 329 Ca 0.05 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.68 3k72 n GLU 329 Cb 0.16 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.09 3k72 n GLU 329 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3k72 n LEU 330 N -0.96 -0.63 -0.13 -4.62 4.77 -1.26 -1.00 117.00 113.16 3k72 n LEU 330 Ca 0.00 -3.99 -0.22 0.00 -0.03 0.00 0.00 56.01 51.77 3k72 n LEU 330 Cb 0.00 0.56 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 3k72 n LEU 330 CO 0.00 1.98 -1.38 -0.62 -1.33 0.00 0.00 177.39 176.05 3k72 n GLU 331 N 0.02 0.62 -2.75 3.23 4.71 -1.26 -4.63 120.64 120.58 3k72 n GLU 331 Ca 0.09 0.19 -0.27 0.00 -0.01 0.00 0.00 57.16 57.16 3k72 n GLU 331 Cb 0.75 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.66 3k72 n GLU 331 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 3k72 n MET 332 N -3.61 3.29 0.00 3.49 2.81 -1.21 -1.45 117.12 120.44 3k72 n MET 332 Ca -0.49 -4.70 0.11 0.00 -1.81 0.00 0.00 57.70 50.82 3k72 n MET 332 Cb 0.95 -2.23 0.05 0.00 -0.71 0.00 0.00 33.22 31.27 3k72 n MET 332 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3k72 n ALA 333 N -0.34 4.12 -4.26 3.04 0.00 -0.85 -3.57 120.51 118.64 3k72 n ALA 333 Ca 0.34 -0.51 -0.34 0.00 0.00 0.00 0.00 53.44 52.93 3k72 n ALA 333 Cb 0.51 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 3k72 n ALA 333 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3k72 n GLN 334 N -1.26 -0.84 -1.54 0.00 6.02 -1.04 -1.83 117.38 116.89 3k72 n GLN 334 Ca 0.06 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 3k72 n GLN 334 Cb 0.35 -3.84 0.01 0.00 1.02 0.00 0.00 30.24 27.78 3k72 n GLN 334 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3k72 n GLU 335 N -4.09 0.98 -0.37 -1.09 2.13 -0.49 -2.21 120.64 115.50 3k72 n GLU 335 Ca -0.11 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.07 3k72 n GLU 335 Cb 0.54 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.46 3k72 n GLU 335 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k72 n GLY 336 N 1.46 0.76 0.36 8.31 0.00 -0.98 -4.26 105.19 110.83 3k72 n GLY 336 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.29 3k72 n GLY 336 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3k72 h PHE 337 N 0.00 0.09 -2.40 1.61 3.57 -1.43 -3.40 116.94 114.98 3k72 h PHE 337 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 3k72 h PHE 337 Cb 0.00 -0.03 -0.24 0.00 2.79 0.00 0.00 35.95 38.47 3k72 h PHE 337 CO 0.00 0.04 -0.19 -1.54 -2.23 0.00 0.00 178.31 174.39 3k72 s SER 338 N -6.34 -0.67 0.08 0.41 1.04 -1.26 -4.62 113.70 102.34 3k72 s SER 338 Ca -0.06 1.13 0.04 0.00 0.48 0.00 0.00 55.95 57.55 3k72 s SER 338 Cb 0.19 1.07 -0.03 0.00 0.10 0.00 0.00 66.02 67.35 3k72 s SER 338 CO 0.73 -0.21 -0.12 0.00 0.98 0.00 0.00 173.24 174.62 3k72 s ALA 339 N 1.61 1.07 -0.21 5.32 0.00 -1.26 -1.99 121.76 126.30 3k72 s ALA 339 Ca -0.09 -1.05 -0.19 0.00 0.00 0.00 0.00 51.96 50.63 3k72 s ALA 339 Cb -0.08 -0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.07 3k72 s ALA 339 CO -0.15 0.06 0.56 0.54 0.00 0.00 0.00 175.76 176.76 3k72 s VAL 340 N -1.78 -0.00 0.23 0.00 0.11 -0.97 -4.60 120.40 113.39 3k72 s VAL 340 Ca 0.00 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 3k72 s VAL 340 Cb -0.07 -0.78 0.06 0.00 -1.53 0.00 0.00 36.38 34.05 3k72 s VAL 340 CO 0.01 0.00 0.28 0.49 -3.33 0.00 0.00 175.10 172.56 3k72 n PHE 341 N 2.85 -3.78 0.00 1.54 3.72 -1.26 -2.67 117.46 117.86 3k72 n PHE 341 Ca -0.14 -0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 3k72 n PHE 341 Cb 0.56 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 3k72 n PHE 341 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3k72 n THR 342 N -2.58 0.00 -0.58 4.37 5.66 -1.25 -4.74 114.28 115.17 3k72 n THR 342 Ca 0.04 0.00 0.47 0.00 -3.05 0.00 0.00 64.05 61.51 3k72 n THR 342 Cb 0.13 0.00 0.79 0.00 -1.55 0.00 0.00 70.33 69.70 3k72 n THR 342 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3k72 h PRO 343 N 0.00 0.01 -2.16 1.09 0.11 -2.00 -1.00 132.00 128.04 3k72 h PRO 343 Ca 0.00 -0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.39 3k72 h PRO 343 Cb 0.00 -0.00 -0.33 0.00 0.11 0.00 0.00 31.00 30.78 3k72 h PRO 343 CO 0.00 0.01 0.40 -0.40 -0.21 0.00 0.00 178.00 177.80 3k72 n ASP 344 N -4.06 6.32 0.00 -2.05 5.68 -1.26 -5.03 116.55 116.15 3k72 n ASP 344 Ca 0.38 -3.71 0.00 0.00 -0.50 0.00 0.00 54.79 50.96 3k72 n ASP 344 Cb 1.75 -0.92 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 3k72 n ASP 344 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k72 n GLY 345 N -0.22 -1.65 3.30 6.12 0.00 -0.38 -4.47 105.19 107.88 3k72 n GLY 345 Ca 0.43 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 3k72 n GLY 345 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k72 n PRO 346 N -0.79 -3.90 -3.29 1.61 -0.02 -1.21 -3.76 135.00 123.63 3k72 n PRO 346 Ca 0.00 -1.14 -0.05 0.00 -2.02 0.00 0.00 63.50 60.28 3k72 n PRO 346 Cb 0.00 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 3k72 n PRO 346 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k72 s VAL 347 N -2.21 -0.72 0.18 -1.45 1.01 -1.09 -2.48 120.40 113.64 3k72 s VAL 347 Ca 0.66 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.62 3k72 s VAL 347 Cb -0.17 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3k72 s VAL 347 CO 0.59 -0.09 0.31 -0.76 0.00 0.00 0.00 175.10 175.15 3k72 s LEU 348 N 2.64 4.31 -0.14 3.92 1.02 -0.97 -2.30 118.68 127.16 3k72 s LEU 348 Ca 0.15 0.12 -0.01 0.00 0.02 0.00 0.00 54.13 54.41 3k72 s LEU 348 Cb -0.15 -2.87 -0.01 0.00 0.02 0.00 0.00 46.19 43.18 3k72 s LEU 348 CO -0.18 0.01 -0.12 -0.83 0.02 0.00 0.00 176.35 175.25 3k72 s GLY 349 N -3.52 1.56 0.08 -3.19 0.00 -0.84 -0.47 107.32 100.94 3k72 s GLY 349 Ca 0.34 -0.91 -0.02 0.00 0.00 0.00 0.00 44.72 44.13 3k72 s GLY 349 CO 0.28 -0.12 0.26 0.00 0.00 0.00 0.00 173.10 173.53 3k72 s ALA 350 N 0.46 3.93 -0.06 3.20 0.00 -0.66 -2.32 121.76 126.32 3k72 s ALA 350 Ca -0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3k72 s ALA 350 Cb -0.16 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 3k72 s ALA 350 CO 0.04 0.77 -0.06 1.33 0.00 0.00 0.00 175.76 177.84 3k72 n VAL 351 N 0.28 0.34 -0.54 0.00 0.24 -0.76 -1.76 118.33 116.13 3k72 n VAL 351 Ca -0.05 -0.11 -0.16 0.00 -2.04 0.00 0.00 64.34 61.99 3k72 n VAL 351 Cb 0.51 -1.07 0.07 0.00 -1.47 0.00 0.00 33.84 31.88 3k72 n VAL 351 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k72 n GLY 352 N 2.97 3.79 3.58 7.63 0.00 -1.23 -3.12 105.19 118.80 3k72 n GLY 352 Ca -0.11 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 3k72 n GLY 352 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k72 s SER 353 N -0.14 5.84 1.27 1.61 0.01 -1.26 -4.22 113.70 116.81 3k72 s SER 353 Ca 0.32 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.27 3k72 s SER 353 Cb 0.26 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.96 3k72 s SER 353 CO 0.03 -1.86 0.00 0.49 0.41 0.00 0.00 173.24 172.31 3k72 n PHE 354 N 10.59 0.00 -0.85 2.43 3.72 -0.17 -1.35 117.46 131.83 3k72 n PHE 354 Ca 0.18 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.47 3k72 n PHE 354 Cb 0.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 3k72 n PHE 354 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3k72 n THR 355 N 0.00 2.61 -2.47 4.37 -2.24 -1.26 -3.69 114.28 111.59 3k72 n THR 355 Ca 0.00 -1.38 -0.12 0.00 -2.27 0.00 0.00 64.05 60.28 3k72 n THR 355 Cb 0.00 -1.55 -0.01 0.00 -2.10 0.00 0.00 70.33 66.67 3k72 n THR 355 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3k72 n TRP 356 N 1.23 -1.44 0.31 4.78 7.02 -1.15 -2.15 117.44 126.03 3k72 n TRP 356 Ca 0.24 0.02 -0.12 0.00 -1.02 0.00 0.00 57.50 56.62 3k72 n TRP 356 Cb 0.61 -2.73 -0.06 0.00 -2.42 0.00 0.00 31.31 26.71 3k72 n TRP 356 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3k72 h SER 357 N -0.04 -0.66 -4.99 -0.99 0.87 -1.33 -3.12 113.55 103.30 3k72 h SER 357 Ca -0.29 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 3k72 h SER 357 Cb 1.21 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 3k72 h SER 357 CO 0.34 -0.47 0.00 0.61 -0.53 0.00 0.00 176.83 176.79 3k72 n GLY 358 N -1.37 0.88 0.00 5.77 0.00 -1.18 -1.80 105.19 107.49 3k72 n GLY 358 Ca -0.10 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.60 3k72 n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k72 n GLY 359 N -1.01 -0.51 3.64 -0.02 0.00 -0.45 -4.51 105.19 102.33 3k72 n GLY 359 Ca 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 3k72 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 s ALA 360 N -1.00 -1.99 -0.33 4.61 0.00 -1.18 -1.65 121.76 120.22 3k72 s ALA 360 Ca 0.00 2.38 -0.24 0.00 0.00 0.00 0.00 51.96 54.10 3k72 s ALA 360 Cb 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.52 3k72 s ALA 360 CO 0.00 -0.62 0.80 -0.06 0.00 0.00 0.00 175.76 175.88 3k72 s PHE 361 N 2.16 3.16 -0.00 0.00 0.08 0.38 -2.73 117.98 121.03 3k72 s PHE 361 Ca -0.08 0.72 -0.21 0.00 0.12 0.00 0.00 56.93 57.48 3k72 s PHE 361 Cb -0.08 -3.33 -0.05 0.00 -0.57 0.00 0.00 43.02 38.99 3k72 s PHE 361 CO -0.19 -0.65 0.61 -1.17 -0.10 0.00 0.00 175.22 173.71 3k72 s LEU 362 N 3.06 4.42 -0.26 -0.37 0.20 -0.91 -2.29 118.68 122.54 3k72 s LEU 362 Ca 0.33 1.18 -0.04 0.00 0.69 0.00 0.00 54.13 56.29 3k72 s LEU 362 Cb -0.14 -2.95 0.01 0.00 -0.43 0.00 0.00 46.19 42.69 3k72 s LEU 362 CO 0.15 0.09 -0.01 -0.31 -0.29 0.00 0.00 176.35 175.98 3k72 s TYR 363 N -0.17 3.08 0.00 5.38 2.02 -1.04 -0.97 117.35 125.65 3k72 s TYR 363 Ca 0.32 -1.23 0.00 0.00 -0.37 0.00 0.00 57.07 55.79 3k72 s TYR 363 Cb -0.18 -2.14 0.00 0.00 -0.40 0.00 0.00 41.96 39.24 3k72 s TYR 363 CO 0.18 -0.64 0.00 -2.30 -1.57 0.00 0.00 175.55 171.22 3k72 n PRO 364 N 4.76 -0.33 -2.23 -1.71 -0.02 -1.26 -3.36 135.00 130.86 3k72 n PRO 364 Ca -0.16 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.92 3k72 n PRO 364 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.94 3k72 n PRO 364 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3k72 n PRO 365 N -1.15 2.67 0.00 0.52 -0.04 -1.26 -4.23 135.00 131.52 3k72 n PRO 365 Ca 0.00 -2.90 0.00 0.00 -0.04 0.00 0.00 63.50 60.56 3k72 n PRO 365 Cb 0.00 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 29.98 3k72 n PRO 365 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3k72 n ASN 366 N 9.33 0.00 -4.78 3.54 2.85 -1.26 -4.97 115.26 119.97 3k72 n ASN 366 Ca 0.49 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.60 3k72 n ASN 366 Cb 0.45 -0.51 -0.01 0.00 1.24 0.00 0.00 39.78 40.94 3k72 n ASN 366 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 3k72 s MET 367 N 0.00 3.63 0.28 1.20 1.75 -1.26 -4.97 119.30 119.92 3k72 s MET 367 Ca 0.00 1.57 -0.30 0.00 -1.25 0.00 0.00 55.69 55.71 3k72 s MET 367 Cb 0.00 -2.16 -0.13 0.00 2.84 0.00 0.00 34.83 35.39 3k72 s MET 367 CO 0.00 -0.61 1.44 -1.13 -0.65 0.00 0.00 175.02 174.07 3k72 n SER 368 N -0.94 3.11 -4.78 1.11 3.41 -1.26 -4.14 113.62 110.12 3k72 n SER 368 Ca 0.10 1.16 -0.31 0.00 -0.26 0.00 0.00 58.87 59.56 3k72 n SER 368 Cb 0.51 -1.49 0.08 0.00 -0.26 0.00 0.00 64.21 63.04 3k72 n SER 368 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3k72 s PRO 369 N -0.81 2.48 0.00 4.33 0.04 -1.26 -4.71 135.00 135.07 3k72 s PRO 369 Ca 0.64 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.78 3k72 s PRO 369 Cb -0.58 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3k72 s PRO 369 CO 0.52 -1.47 0.00 0.25 0.04 0.00 0.00 177.00 176.35 3k72 n THR 370 N -3.39 0.00 -3.60 1.26 -2.24 -0.15 -4.97 114.28 101.19 3k72 n THR 370 Ca 0.09 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.75 3k72 n THR 370 Cb 0.53 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.16 3k72 n THR 370 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k72 s PHE 371 N 0.28 -0.55 -0.29 4.78 5.36 -1.26 -2.14 117.98 124.15 3k72 s PHE 371 Ca 0.00 1.22 -0.00 0.00 -0.96 0.00 0.00 56.93 57.18 3k72 s PHE 371 Cb 0.00 0.37 0.09 0.00 -0.34 0.00 0.00 43.02 43.14 3k72 s PHE 371 CO 0.00 -0.35 0.07 0.96 -1.46 0.00 0.00 175.22 174.44 3k72 s ILE 372 N -0.27 1.03 0.00 3.12 -4.36 -1.10 -5.00 121.20 114.62 3k72 s ILE 372 Ca -0.01 -1.38 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 3k72 s ILE 372 Cb -0.03 -1.70 0.00 0.00 1.25 0.00 0.00 42.46 41.97 3k72 s ILE 372 CO -0.00 -0.56 0.00 -0.46 0.24 0.00 0.00 174.94 174.15 3k72 n ASN 373 N 4.80 0.00 -0.77 4.36 0.23 -1.26 -3.09 115.26 119.52 3k72 n ASN 373 Ca -0.03 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.05 3k72 n ASN 373 Cb 0.43 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.33 3k72 n ASN 373 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3k72 n MET 374 N 0.00 1.87 -1.25 -3.83 2.81 -1.26 -5.02 117.12 110.44 3k72 n MET 374 Ca 0.00 -3.04 0.17 0.00 -1.81 0.00 0.00 57.70 53.02 3k72 n MET 374 Cb 0.00 -1.72 -0.04 0.00 -0.71 0.00 0.00 33.22 30.75 3k72 n MET 374 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3k72 n SER 375 N -1.07 -8.08 -0.10 7.83 3.41 -1.26 -4.02 113.62 110.33 3k72 n SER 375 Ca 0.24 1.34 -0.10 0.00 -0.26 0.00 0.00 58.87 60.10 3k72 n SER 375 Cb 0.85 -3.80 -0.16 0.00 -0.26 0.00 0.00 64.21 60.85 3k72 n SER 375 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3k72 n GLN 376 N -3.90 0.74 0.31 4.33 7.27 -1.26 -4.13 117.38 120.74 3k72 n GLN 376 Ca 0.01 -0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.19 3k72 n GLN 376 Cb 0.57 -1.51 0.60 0.00 2.41 0.00 0.00 30.24 32.30 3k72 n GLN 376 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3k72 h GLU 377 N 0.00 0.00 -5.79 3.69 5.08 -2.01 -3.20 114.58 112.35 3k72 h GLU 377 Ca -0.54 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.18 3k72 h GLU 377 Cb 2.21 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 31.35 3k72 h GLU 377 CO 0.02 0.00 1.49 1.21 -1.00 0.00 0.00 179.01 180.73 3k72 s ASN 378 N -4.00 6.61 0.25 1.42 2.47 -1.26 -4.87 114.94 115.56 3k72 s ASN 378 Ca -0.02 -1.81 -0.04 0.00 0.42 0.00 0.00 52.86 51.41 3k72 s ASN 378 Cb 0.06 -2.53 0.44 0.00 -1.45 0.00 0.00 41.25 37.77 3k72 s ASN 378 CO 0.20 -1.33 1.78 -0.37 -3.72 0.00 0.00 177.10 173.66 3k72 h VAL 379 N 6.30 0.81 -0.98 -5.21 -1.51 -1.91 -3.43 116.25 110.32 3k72 h VAL 379 Ca 0.24 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 3k72 h VAL 379 Cb 0.98 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 3k72 h VAL 379 CO 1.36 0.12 0.00 -0.90 -1.23 0.00 0.00 177.57 176.93 3k72 n ASP 380 N -4.83 -0.13 -0.24 4.19 5.68 -1.26 -4.60 116.55 115.36 3k72 n ASP 380 Ca 0.14 -0.18 -0.03 0.00 -0.50 0.00 0.00 54.79 54.22 3k72 n ASP 380 Cb 0.34 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.31 3k72 n ASP 380 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 3k72 n MET 381 N -0.31 -0.22 -2.50 0.11 0.00 -1.26 -4.99 117.12 107.94 3k72 n MET 381 Ca 0.00 0.59 -0.42 0.00 0.00 0.00 0.00 57.70 57.87 3k72 n MET 381 Cb 0.00 -4.22 -0.03 0.00 0.00 0.00 0.00 33.22 28.98 3k72 n MET 381 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3k72 s ARG 382 N -2.20 4.34 -0.73 2.12 0.52 -1.26 -3.94 118.95 117.79 3k72 s ARG 382 Ca 0.00 1.61 -0.00 0.00 -0.52 0.00 0.00 55.73 56.82 3k72 s ARG 382 Cb 0.00 -3.59 -0.00 0.00 0.52 0.00 0.00 34.95 31.88 3k72 s ARG 382 CO 0.00 -0.47 0.69 -0.25 0.02 0.00 0.00 175.30 175.28 3k72 n ASP 383 N 5.44 -7.65 0.00 0.23 8.00 -0.91 -4.70 116.55 116.95 3k72 n ASP 383 Ca 0.11 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.53 3k72 n ASP 383 Cb 0.46 -5.22 0.00 0.00 -0.02 0.00 0.00 41.12 36.35 3k72 n ASP 383 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3k72 n SER 384 N -1.78 0.14 -3.75 -2.24 3.41 -1.18 -4.47 113.62 103.75 3k72 n SER 384 Ca -0.00 -0.46 -0.28 0.00 -0.26 0.00 0.00 58.87 57.87 3k72 n SER 384 Cb 0.50 0.34 0.04 0.00 -0.26 0.00 0.00 64.21 64.83 3k72 n SER 384 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3k72 n TYR 385 N -0.34 -2.40 -1.45 7.33 4.01 -1.23 -2.67 117.16 120.42 3k72 n TYR 385 Ca 0.00 0.88 -0.50 0.00 -0.16 0.00 0.00 57.90 58.12 3k72 n TYR 385 Cb 0.04 -4.20 -0.07 0.00 -0.31 0.00 0.00 39.34 34.80 3k72 n TYR 385 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3k72 n LEU 386 N -4.67 2.19 0.00 7.72 7.94 -0.74 -0.19 117.00 129.25 3k72 n LEU 386 Ca 0.02 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 3k72 n LEU 386 Cb 0.54 -1.28 0.00 0.00 0.53 0.00 0.00 43.42 43.21 3k72 n LEU 386 CO 0.70 -0.74 0.00 0.61 -1.11 0.00 0.00 177.39 176.85 3k72 n GLY 387 N 6.50 1.37 0.31 -3.96 0.00 -1.11 -1.33 105.19 106.96 3k72 n GLY 387 Ca 0.41 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.43 3k72 n GLY 387 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3k72 h TYR 388 N 0.00 0.93 -4.09 1.61 5.03 -0.26 -3.41 116.97 116.79 3k72 h TYR 388 Ca 0.00 0.03 -0.46 0.00 2.58 0.00 0.00 58.73 60.88 3k72 h TYR 388 Cb 0.00 -0.30 -0.26 0.00 1.55 0.00 0.00 36.73 37.73 3k72 h TYR 388 CO 0.00 0.46 -0.80 -1.54 -1.32 0.00 0.00 178.16 174.96 3k72 s SER 389 N -5.73 1.71 0.02 -2.11 1.04 -1.26 -4.45 113.70 102.92 3k72 s SER 389 Ca -0.13 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 55.91 3k72 s SER 389 Cb 0.18 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 3k72 s SER 389 CO 0.78 0.08 -0.07 0.42 0.98 0.00 0.00 173.24 175.43 3k72 s THR 390 N -0.72 0.49 0.03 2.02 -4.23 -1.26 -1.53 115.64 110.44 3k72 s THR 390 Ca 0.03 -0.72 -0.19 0.00 -1.18 0.00 0.00 61.69 59.63 3k72 s THR 390 Cb -0.07 -0.51 0.04 0.00 1.34 0.00 0.00 72.50 73.30 3k72 s THR 390 CO 0.01 -0.17 0.42 -0.70 -0.54 0.00 0.00 174.62 173.64 3k72 s GLU 391 N -0.97 0.90 0.76 3.99 2.56 -1.05 -4.67 118.70 120.21 3k72 s GLU 391 Ca -0.05 -0.28 -0.09 0.00 0.00 0.00 0.00 54.97 54.55 3k72 s GLU 391 Cb -0.07 0.40 0.08 0.00 2.00 0.00 0.00 34.13 36.55 3k72 s GLU 391 CO 0.00 -0.30 1.09 -1.17 -0.56 0.00 0.00 175.26 174.33 3k72 s LEU 392 N -1.83 2.72 -0.39 2.70 2.96 -1.26 -2.32 118.68 121.26 3k72 s LEU 392 Ca -0.07 0.50 0.11 0.00 -0.22 0.00 0.00 54.13 54.45 3k72 s LEU 392 Cb -0.01 -3.04 0.40 0.00 0.50 0.00 0.00 46.19 44.04 3k72 s LEU 392 CO -0.00 -1.81 1.26 0.00 -1.32 0.00 0.00 176.35 174.48 3k72 n ALA 393 N -3.12 1.59 -1.15 5.97 0.00 0.05 -4.54 120.51 119.32 3k72 n ALA 393 Ca 0.09 -1.68 -0.36 0.00 0.00 0.00 0.00 53.44 51.48 3k72 n ALA 393 Cb 0.61 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 19.12 3k72 n ALA 393 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3k72 n LEU 394 N -0.45 -1.92 -4.06 0.00 0.00 -1.26 -3.73 117.00 105.58 3k72 n LEU 394 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 56.01 56.39 3k72 n LEU 394 Cb 0.84 -1.02 -0.07 0.00 0.00 0.00 0.00 43.42 43.17 3k72 n LEU 394 CO -0.00 -4.24 0.05 0.86 0.00 0.00 0.00 177.39 174.06 3k72 s TRP 395 N -2.00 0.63 0.56 1.96 -0.00 -1.26 -2.27 118.94 116.56 3k72 s TRP 395 Ca 0.57 -0.94 0.26 0.00 -0.00 0.00 0.00 56.10 55.98 3k72 s TRP 395 Cb -0.33 -0.05 1.50 0.00 -0.00 0.00 0.00 33.47 34.60 3k72 s TRP 395 CO 0.67 -0.89 2.07 -0.22 -0.00 0.00 0.00 176.95 178.57 3k72 h LYS 396 N 2.36 0.00 0.00 5.86 3.64 -1.95 -3.41 116.57 123.07 3k72 h LYS 396 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3k72 h LYS 396 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3k72 h LYS 396 CO 0.41 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.00 3k72 n GLY 397 N -1.51 0.55 3.92 5.01 0.00 -1.26 -5.10 105.19 106.80 3k72 n GLY 397 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3k72 n GLY 397 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k72 s VAL 398 N 3.19 3.85 1.08 1.61 -7.23 -1.26 -5.08 120.40 116.57 3k72 s VAL 398 Ca 0.00 -0.02 -0.15 0.00 -1.81 0.00 0.00 61.98 60.00 3k72 s VAL 398 Cb 0.00 -3.51 0.23 0.00 0.56 0.00 0.00 36.38 33.66 3k72 s VAL 398 CO 0.00 -0.50 1.11 -1.10 -0.31 0.00 0.00 175.10 174.30 3k72 s GLN 399 N -4.91 -0.23 -0.17 4.82 1.11 -1.26 -4.02 119.66 115.00 3k72 s GLN 399 Ca 0.52 0.21 -0.10 0.00 0.01 0.00 0.00 55.36 56.00 3k72 s GLN 399 Cb -0.10 -1.69 0.05 0.00 -1.01 0.00 0.00 33.01 30.26 3k72 s GLN 399 CO 0.44 -3.11 0.41 -1.12 0.01 0.00 0.00 175.29 171.93 3k72 s SER 400 N -3.73 -0.50 0.32 5.90 0.01 -1.24 -4.50 113.70 109.95 3k72 s SER 400 Ca 0.68 0.88 0.05 0.00 1.31 0.00 0.00 55.95 58.87 3k72 s SER 400 Cb -0.14 0.79 -0.01 0.00 0.21 0.00 0.00 66.02 66.87 3k72 s SER 400 CO 0.56 -0.18 0.47 -0.76 0.41 0.00 0.00 173.24 173.74 3k72 s LEU 401 N 1.13 4.02 -0.10 2.44 1.43 -0.76 -0.77 118.68 126.06 3k72 s LEU 401 Ca -0.07 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 3k72 s LEU 401 Cb -0.07 -2.85 0.04 0.00 0.03 0.00 0.00 46.19 43.34 3k72 s LEU 401 CO -0.10 -0.37 0.26 -0.69 0.23 0.00 0.00 176.35 175.68 3k72 s VAL 402 N -2.17 -0.02 0.08 -1.59 1.01 -0.98 -1.21 120.40 115.51 3k72 s VAL 402 Ca 0.42 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.57 3k72 s VAL 402 Cb -0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 3k72 s VAL 402 CO 0.32 0.03 -0.24 -0.76 0.00 0.00 0.00 175.10 174.45 3k72 s LEU 403 N 0.78 2.23 -0.24 3.92 1.43 -0.78 -2.53 118.68 123.50 3k72 s LEU 403 Ca -0.05 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.34 3k72 s LEU 403 Cb -0.07 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 3k72 s LEU 403 CO -0.05 0.17 0.09 -0.83 0.23 0.00 0.00 176.35 175.96 3k72 s GLY 404 N -1.55 1.83 -0.77 -3.19 0.00 -0.59 -2.41 107.32 100.64 3k72 s GLY 404 Ca 0.10 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 43.83 3k72 s GLY 404 CO 0.03 0.42 0.59 0.00 0.00 0.00 0.00 173.10 174.14 3k72 s ALA 405 N 1.29 3.98 0.57 3.20 0.00 -0.41 -2.49 121.76 127.89 3k72 s ALA 405 Ca 0.05 -3.86 0.30 0.00 0.00 0.00 0.00 51.96 48.46 3k72 s ALA 405 Cb -0.15 -2.38 1.44 0.00 0.00 0.00 0.00 23.12 22.04 3k72 s ALA 405 CO 0.04 -2.11 1.84 -1.35 0.00 0.00 0.00 175.76 174.18 3k72 h PRO 406 N 5.57 0.00 -1.11 0.00 0.11 -1.70 -0.55 132.00 134.32 3k72 h PRO 406 Ca 0.15 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.79 3k72 h PRO 406 Cb 0.77 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.47 3k72 h PRO 406 CO 0.76 0.00 -0.93 0.54 -0.21 0.00 0.00 178.00 178.16 3k72 n ARG 407 N -3.88 2.58 -2.56 1.05 1.74 -1.20 -2.66 116.66 111.73 3k72 n ARG 407 Ca 0.14 -3.96 -0.43 0.00 -0.77 0.00 0.00 57.85 52.83 3k72 n ARG 407 Cb 0.88 -1.88 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 3k72 n ARG 407 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3k72 s TYR 408 N -3.46 2.77 -1.92 -1.55 6.14 -1.15 -2.98 117.35 115.21 3k72 s TYR 408 Ca 0.40 0.76 0.00 0.00 0.64 0.00 0.00 57.07 58.86 3k72 s TYR 408 Cb 0.41 -4.33 0.00 0.00 0.42 0.00 0.00 41.96 38.46 3k72 s TYR 408 CO -0.07 -1.36 0.00 1.04 0.64 0.00 0.00 175.55 175.80 3k72 n GLN 409 N 7.78 -1.62 -0.95 4.97 6.02 -1.26 -2.53 117.38 129.79 3k72 n GLN 409 Ca 0.13 1.08 0.00 0.00 -0.01 0.00 0.00 57.00 58.20 3k72 n GLN 409 Cb 0.49 -5.67 0.00 0.00 1.02 0.00 0.00 30.24 26.08 3k72 n GLN 409 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3k72 n HIS 410 N -3.53 0.00 -0.04 1.08 8.25 -1.16 -4.82 115.22 115.00 3k72 n HIS 410 Ca -0.24 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.17 3k72 n HIS 410 Cb 0.69 -0.86 -0.02 0.00 1.12 0.00 0.00 29.99 30.92 3k72 n HIS 410 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3k72 n THR 411 N -2.42 1.32 0.00 1.59 -2.24 -1.05 -1.86 114.28 109.62 3k72 n THR 411 Ca 0.00 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 3k72 n THR 411 Cb 0.18 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 3k72 n THR 411 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k72 n GLY 412 N 2.14 3.34 3.34 3.38 0.00 -1.09 -2.13 105.19 114.16 3k72 n GLY 412 Ca -0.09 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 3k72 n GLY 412 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k72 s LYS 413 N -3.49 1.29 -0.10 1.61 2.20 -0.22 -0.05 119.74 120.98 3k72 s LYS 413 Ca 0.00 -1.45 0.04 0.00 -0.36 0.00 0.00 55.97 54.19 3k72 s LYS 413 Cb 0.00 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.05 3k72 s LYS 413 CO 0.00 0.25 -0.22 0.00 -0.36 0.00 0.00 175.35 175.02 3k72 s ALA 414 N -2.28 2.02 -0.07 3.13 0.00 -1.06 -1.29 121.76 122.20 3k72 s ALA 414 Ca 0.17 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.30 3k72 s ALA 414 Cb -0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 3k72 s ALA 414 CO 0.07 0.22 -0.23 0.08 0.00 0.00 0.00 175.76 175.90 3k72 s VAL 415 N 0.46 2.19 -0.10 0.00 1.01 -1.01 -2.41 120.40 120.52 3k72 s VAL 415 Ca -0.17 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 3k72 s VAL 415 Cb -0.17 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3k72 s VAL 415 CO 0.07 0.57 -0.03 -0.63 0.00 0.00 0.00 175.10 175.07 3k72 s ILE 416 N -0.02 4.00 0.08 2.22 1.01 -0.41 -1.86 121.20 126.22 3k72 s ILE 416 Ca -0.07 -0.35 0.10 0.00 0.00 0.00 0.00 60.65 60.32 3k72 s ILE 416 Cb -0.15 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 3k72 s ILE 416 CO 0.05 0.57 -0.26 -0.36 0.00 0.00 0.00 174.94 174.93 3k72 s PHE 417 N -0.45 2.28 0.24 3.97 0.40 -0.35 -1.52 117.98 122.55 3k72 s PHE 417 Ca 0.07 -0.40 0.11 0.00 -0.60 0.00 0.00 56.93 56.11 3k72 s PHE 417 Cb -0.12 -1.31 -0.05 0.00 0.51 0.00 0.00 43.02 42.06 3k72 s PHE 417 CO 0.02 0.21 -0.15 -0.08 0.70 0.00 0.00 175.22 175.92 3k72 s THR 418 N -0.92 2.78 -0.57 0.64 -1.32 -0.85 -1.83 115.64 113.57 3k72 s THR 418 Ca 0.12 -2.08 0.06 0.00 -1.21 0.00 0.00 61.69 58.59 3k72 s THR 418 Cb -0.10 -2.42 0.27 0.00 -1.51 0.00 0.00 72.50 68.74 3k72 s THR 418 CO 0.04 -0.28 0.75 0.00 -2.21 0.00 0.00 174.62 172.92 3k72 n GLN 419 N -0.35 2.29 -1.57 7.08 6.02 -1.26 -2.62 117.38 126.98 3k72 n GLN 419 Ca -0.08 -4.41 -0.33 0.00 -0.01 0.00 0.00 57.00 52.16 3k72 n GLN 419 Cb 0.58 -2.06 0.07 0.00 1.02 0.00 0.00 30.24 29.85 3k72 n GLN 419 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3k72 s VAL 420 N -2.64 2.81 -0.31 5.09 1.01 -1.26 -4.69 120.40 120.42 3k72 s VAL 420 Ca 0.41 0.38 -0.37 0.00 0.00 0.00 0.00 61.98 62.39 3k72 s VAL 420 Cb 0.19 -2.89 -0.13 0.00 0.00 0.00 0.00 36.38 33.54 3k72 s VAL 420 CO -0.05 -0.23 2.02 -0.24 0.00 0.00 0.00 175.10 176.59 3k72 n SER 421 N -2.65 2.28 -3.58 3.32 2.88 -1.26 -1.13 113.62 113.49 3k72 n SER 421 Ca 0.12 0.70 -0.20 0.00 -1.33 0.00 0.00 58.87 58.16 3k72 n SER 421 Cb 0.51 -1.22 0.06 0.00 -0.75 0.00 0.00 64.21 62.81 3k72 n SER 421 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3k72 n ARG 422 N 7.13 -5.28 0.00 -1.46 1.74 -1.26 -4.87 116.66 112.66 3k72 n ARG 422 Ca 0.35 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 3k72 n ARG 422 Cb 0.19 -5.44 0.00 0.00 -1.02 0.00 0.00 32.46 26.19 3k72 n ARG 422 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3k72 n GLN 423 N -4.16 0.00 -3.61 5.56 1.13 -0.28 -5.06 117.38 110.97 3k72 n GLN 423 Ca -0.28 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.57 3k72 n GLN 423 Cb 0.67 0.00 0.06 0.00 0.11 0.00 0.00 30.24 31.08 3k72 n GLN 423 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 3k72 n TRP 424 N -2.16 -2.15 -2.55 1.08 8.01 -1.19 -4.90 117.44 113.57 3k72 n TRP 424 Ca 0.00 0.90 -0.04 0.00 -1.31 0.00 0.00 57.50 57.05 3k72 n TRP 424 Cb 0.00 -4.69 0.02 0.00 -2.01 0.00 0.00 31.31 24.63 3k72 n TRP 424 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3k72 n ARG 425 N -4.33 0.63 -3.41 -0.99 1.74 -1.08 -4.88 116.66 104.35 3k72 n ARG 425 Ca -0.24 -0.57 -0.38 0.00 -0.77 0.00 0.00 57.85 55.90 3k72 n ARG 425 Cb 0.65 -0.10 -0.06 0.00 -1.02 0.00 0.00 32.46 31.93 3k72 n ARG 425 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3k72 s MET 426 N -2.78 4.09 -0.04 5.56 -2.45 -1.26 -2.00 119.30 120.41 3k72 s MET 426 Ca 0.13 0.48 -0.01 0.00 -1.25 0.00 0.00 55.69 55.03 3k72 s MET 426 Cb -0.01 -3.28 -0.01 0.00 1.25 0.00 0.00 34.83 32.78 3k72 s MET 426 CO 0.08 0.53 0.09 0.87 1.05 0.00 0.00 175.02 177.65 3k72 h LYS 427 N 5.24 -0.05 0.00 4.11 1.57 -1.58 -3.45 116.57 122.41 3k72 h LYS 427 Ca -0.48 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 3k72 h LYS 427 Cb 1.21 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3k72 h LYS 427 CO 0.66 -0.03 0.19 0.00 -0.57 0.00 0.00 179.45 179.70 3k72 n ALA 428 N -2.38 -0.84 -3.71 3.86 0.00 -1.18 -2.70 120.51 113.56 3k72 n ALA 428 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.11 3k72 n ALA 428 Cb 0.02 0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.61 3k72 n ALA 428 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3k72 s GLU 429 N -2.01 0.99 -0.16 0.00 -1.05 -1.26 -1.28 118.70 113.91 3k72 s GLU 429 Ca 0.07 -0.54 -0.07 0.00 -0.15 0.00 0.00 54.97 54.28 3k72 s GLU 429 Cb -0.01 0.34 0.07 0.00 -0.44 0.00 0.00 34.13 34.09 3k72 s GLU 429 CO 0.01 -0.45 0.37 0.14 0.95 0.00 0.00 175.26 176.28 3k72 s VAL 430 N -3.07 -0.29 1.36 1.83 -7.23 -1.01 -4.82 120.40 107.18 3k72 s VAL 430 Ca 0.12 0.15 -0.20 0.00 -1.81 0.00 0.00 61.98 60.25 3k72 s VAL 430 Cb 0.00 -0.57 0.35 0.00 0.56 0.00 0.00 36.38 36.72 3k72 s VAL 430 CO 0.00 0.06 0.95 0.42 -0.31 0.00 0.00 175.10 176.23 3k72 s THR 431 N 1.93 1.43 0.78 5.32 -4.23 -1.26 -2.58 115.64 117.03 3k72 s THR 431 Ca -0.05 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.38 3k72 s THR 431 Cb -0.10 -2.04 0.11 0.00 1.34 0.00 0.00 72.50 71.81 3k72 s THR 431 CO -0.12 0.00 1.10 -0.83 -0.54 0.00 0.00 174.62 174.23 3k72 s GLY 432 N -2.90 1.73 -0.16 3.99 0.00 0.93 -4.78 107.32 106.13 3k72 s GLY 432 Ca 0.69 -1.17 0.12 0.00 0.00 0.00 0.00 44.72 44.35 3k72 s GLY 432 CO 0.60 -0.63 0.23 -0.37 0.00 0.00 0.00 173.10 172.93 3k72 n THR 433 N -3.13 1.51 -3.89 0.90 5.66 -1.26 -4.97 114.28 109.10 3k72 n THR 433 Ca 0.11 -0.78 -0.10 0.00 -3.05 0.00 0.00 64.05 60.24 3k72 n THR 433 Cb 0.60 -0.89 -0.09 0.00 -1.55 0.00 0.00 70.33 68.41 3k72 n THR 433 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 3k72 s GLN 434 N -2.53 0.67 0.04 1.09 0.74 -1.26 -5.10 119.66 113.31 3k72 s GLN 434 Ca -0.13 -0.76 -0.31 0.00 0.05 0.00 0.00 55.36 54.21 3k72 s GLN 434 Cb 0.07 0.27 -0.06 0.00 1.10 0.00 0.00 33.01 34.39 3k72 s GLN 434 CO 0.79 -0.19 1.30 -1.50 -0.55 0.00 0.00 175.29 175.14 3k72 s ILE 435 N -2.86 3.79 0.00 -2.34 2.07 -1.26 -2.75 121.20 117.85 3k72 s ILE 435 Ca -0.03 1.24 0.00 0.00 -1.41 0.00 0.00 60.65 60.46 3k72 s ILE 435 Cb 0.00 -3.80 0.00 0.00 0.13 0.00 0.00 42.46 38.79 3k72 s ILE 435 CO -0.06 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 3k72 n GLY 436 N 3.42 2.65 0.47 1.50 0.00 -0.78 -4.85 105.19 107.60 3k72 n GLY 436 Ca 0.11 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.42 3k72 n GLY 436 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k72 h SER 437 N 0.00 0.16 -2.73 1.61 4.64 -1.57 -3.44 113.55 112.23 3k72 h SER 437 Ca 0.00 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 3k72 h SER 437 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.14 3k72 h SER 437 CO 0.00 0.04 -0.24 0.00 -0.87 0.00 0.00 176.83 175.76 3k72 n TYR 438 N -4.36 -1.02 -1.93 4.77 9.36 -0.91 -3.54 117.16 119.54 3k72 n TYR 438 Ca 0.23 0.36 -0.38 0.00 3.32 0.00 0.00 57.90 61.44 3k72 n TYR 438 Cb 1.03 -2.45 -0.03 0.00 -0.63 0.00 0.00 39.34 37.26 3k72 n TYR 438 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 3k72 s PHE 439 N -3.11 1.52 0.00 2.98 5.36 -1.17 -2.52 117.98 121.04 3k72 s PHE 439 Ca 0.20 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 57.15 3k72 s PHE 439 Cb -0.09 -3.97 0.00 0.00 -0.34 0.00 0.00 43.02 38.62 3k72 s PHE 439 CO 0.26 -2.35 0.00 0.41 -1.46 0.00 0.00 175.22 172.08 3k72 n GLY 440 N 5.79 0.40 0.00 13.12 0.00 -0.67 -2.24 105.19 121.59 3k72 n GLY 440 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3k72 n GLY 440 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 n ALA 441 N 0.00 -0.03 -2.65 4.61 0.00 -1.05 -4.32 120.51 117.07 3k72 n ALA 441 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3k72 n ALA 441 Cb 0.00 0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 3k72 n ALA 441 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k72 s SER 442 N -2.94 4.77 -0.08 0.00 0.01 -1.26 -4.33 113.70 109.87 3k72 s SER 442 Ca 0.00 -0.34 -0.10 0.00 1.31 0.00 0.00 55.95 56.82 3k72 s SER 442 Cb 0.00 -1.03 0.02 0.00 0.21 0.00 0.00 66.02 65.22 3k72 s SER 442 CO 0.00 0.13 0.27 -0.76 0.41 0.00 0.00 173.24 173.29 3k72 s LEU 443 N -2.65 0.97 -0.24 2.44 1.02 -1.26 -0.34 118.68 118.63 3k72 s LEU 443 Ca 0.26 0.42 -0.03 0.00 0.02 0.00 0.00 54.13 54.79 3k72 s LEU 443 Cb -0.10 0.98 0.13 0.00 0.02 0.00 0.00 46.19 47.22 3k72 s LEU 443 CO 0.18 -0.18 0.37 0.00 0.02 0.00 0.00 176.35 176.74 3k72 s SER 445 N 2.53 6.84 0.26 0.00 1.04 -1.26 -1.03 113.70 122.08 3k72 s SER 445 Ca 0.11 1.31 0.09 0.00 0.48 0.00 0.00 55.95 57.94 3k72 s SER 445 Cb -0.15 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.38 3k72 s SER 445 CO -0.15 -0.91 -0.14 0.54 0.98 0.00 0.00 173.24 173.55 3k72 s VAL 446 N 3.87 2.02 -0.53 5.02 0.11 -0.83 -4.85 120.40 125.20 3k72 s VAL 446 Ca 0.52 -2.26 0.02 0.00 -2.93 0.00 0.00 61.98 57.33 3k72 s VAL 446 Cb -0.17 -2.25 0.14 0.00 -1.53 0.00 0.00 36.38 32.57 3k72 s VAL 446 CO 0.17 -0.45 0.29 -0.62 -3.33 0.00 0.00 175.10 171.17 3k72 s ASP 447 N -3.43 4.55 0.34 3.54 -1.08 -1.26 -2.91 116.67 116.43 3k72 s ASP 447 Ca 0.27 -2.93 0.15 0.00 -0.52 0.00 0.00 52.55 49.52 3k72 s ASP 447 Cb -0.01 -1.69 1.07 0.00 -1.46 0.00 0.00 42.92 40.83 3k72 s ASP 447 CO 0.11 -0.27 1.68 1.62 0.52 0.00 0.00 175.17 178.83 3k72 h VAL 448 N 5.51 0.34 0.00 1.11 3.04 -1.91 -3.39 116.25 120.96 3k72 h VAL 448 Ca -0.06 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 3k72 h VAL 448 Cb 0.91 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 3k72 h VAL 448 CO 0.69 0.07 0.00 -0.90 -1.01 0.00 0.00 177.57 176.41 3k72 n ASP 449 N -4.99 0.00 -0.93 3.17 5.68 -1.26 -1.92 116.55 116.30 3k72 n ASP 449 Ca 0.31 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.59 3k72 n ASP 449 Cb 0.96 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.92 3k72 n ASP 449 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3k72 n SER 450 N 0.00 -0.09 0.00 -1.12 7.64 -1.26 -4.39 113.62 114.40 3k72 n SER 450 Ca 0.00 -1.77 0.13 0.00 1.01 0.00 0.00 58.87 58.24 3k72 n SER 450 Cb 0.00 -0.01 0.65 0.00 -1.01 0.00 0.00 64.21 63.84 3k72 n SER 450 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3k72 n ASP 451 N 0.13 0.00 0.00 6.43 5.75 -1.26 -4.88 116.55 122.72 3k72 n ASP 451 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 3k72 n ASP 451 Cb 0.77 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3k72 n ASP 451 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k72 n GLY 452 N 0.99 2.52 3.67 6.12 0.00 -1.26 -4.99 105.19 112.23 3k72 n GLY 452 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3k72 n GLY 452 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k72 s SER 453 N -3.45 6.43 0.12 1.61 0.01 -1.26 -4.75 113.70 112.41 3k72 s SER 453 Ca 0.00 0.50 -0.31 0.00 1.31 0.00 0.00 55.95 57.45 3k72 s SER 453 Cb 0.00 -2.23 -0.10 0.00 0.21 0.00 0.00 66.02 63.90 3k72 s SER 453 CO 0.00 -0.07 1.83 -0.89 0.41 0.00 0.00 173.24 174.52 3k72 s THR 454 N 1.30 2.54 -0.21 1.44 2.01 -0.96 -4.90 115.64 116.87 3k72 s THR 454 Ca 0.19 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.24 3k72 s THR 454 Cb -0.15 -3.03 -0.20 0.00 0.01 0.00 0.00 72.50 69.13 3k72 s THR 454 CO 0.08 -0.00 -0.02 0.47 -0.69 0.00 0.00 174.62 174.45 3k72 n ASP 455 N 5.71 1.89 -3.23 3.53 8.00 -1.19 -4.87 116.55 126.39 3k72 n ASP 455 Ca 0.18 -0.02 -0.14 0.00 0.71 0.00 0.00 54.79 55.51 3k72 n ASP 455 Cb 0.38 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 3k72 n ASP 455 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3k72 s LEU 456 N -6.61 0.94 -0.13 0.64 0.05 -1.15 -2.32 118.68 110.11 3k72 s LEU 456 Ca -0.29 -1.46 -0.08 0.00 0.05 0.00 0.00 54.13 52.35 3k72 s LEU 456 Cb 0.08 1.56 0.05 0.00 -2.05 0.00 0.00 46.19 45.83 3k72 s LEU 456 CO 0.67 -1.32 0.32 -0.69 -0.55 0.00 0.00 176.35 174.77 3k72 s VAL 457 N -3.02 -0.03 0.32 1.48 1.01 -0.42 -1.96 120.40 117.78 3k72 s VAL 457 Ca 0.29 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3k72 s VAL 457 Cb -0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3k72 s VAL 457 CO 0.20 0.04 0.52 -0.76 0.00 0.00 0.00 175.10 175.10 3k72 s LEU 458 N 1.20 4.06 0.04 3.92 1.43 -0.20 -0.54 118.68 128.58 3k72 s LEU 458 Ca -0.08 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 3k72 s LEU 458 Cb -0.09 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 3k72 s LEU 458 CO -0.09 -0.24 -0.02 -0.63 0.23 0.00 0.00 176.35 175.59 3k72 s ILE 459 N -2.22 0.16 0.16 -0.59 1.01 -0.13 -2.48 121.20 117.11 3k72 s ILE 459 Ca 0.40 -1.35 0.09 0.00 0.00 0.00 0.00 60.65 59.79 3k72 s ILE 459 Cb -0.10 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3k72 s ILE 459 CO 0.34 -0.75 -0.16 -0.83 0.00 0.00 0.00 174.94 173.55 3k72 s GLY 460 N -2.20 1.71 -0.41 6.18 0.00 0.53 -1.27 107.32 111.86 3k72 s GLY 460 Ca -0.04 -1.46 0.06 0.00 0.00 0.00 0.00 44.72 43.27 3k72 s GLY 460 CO -0.06 -1.47 1.22 0.00 0.00 0.00 0.00 173.10 172.80 3k72 n ALA 461 N 0.36 -1.39 -0.04 3.20 0.00 0.09 -1.68 120.51 121.06 3k72 n ALA 461 Ca -0.13 -1.10 0.24 0.00 0.00 0.00 0.00 53.44 52.46 3k72 n ALA 461 Cb 0.54 -1.72 0.66 0.00 0.00 0.00 0.00 19.45 18.94 3k72 n ALA 461 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3k72 h PRO 462 N 2.60 0.00 -2.35 0.00 0.11 -1.72 -2.73 132.00 127.90 3k72 h PRO 462 Ca -0.20 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.21 3k72 h PRO 462 Cb 1.16 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.92 3k72 h PRO 462 CO 0.06 0.00 0.16 0.72 -0.21 0.00 0.00 178.00 178.74 3k72 n HIS 463 N -3.61 3.28 -4.22 0.65 8.25 -1.23 -3.81 115.22 114.53 3k72 n HIS 463 Ca 0.14 -3.31 -0.13 0.00 -0.26 0.00 0.00 57.72 54.15 3k72 n HIS 463 Cb 0.94 -0.86 -0.10 0.00 1.12 0.00 0.00 29.99 31.09 3k72 n HIS 463 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3k72 s TYR 464 N -3.54 1.14 -0.05 4.41 5.04 -1.04 -3.57 117.35 119.76 3k72 s TYR 464 Ca 0.42 -0.78 -0.18 0.00 -2.44 0.00 0.00 57.07 54.08 3k72 s TYR 464 Cb 0.20 -0.60 0.06 0.00 0.35 0.00 0.00 41.96 41.96 3k72 s TYR 464 CO -0.08 0.01 0.81 2.48 -1.34 0.00 0.00 175.55 177.43 3k72 n TYR 465 N -0.04 -0.08 0.00 4.97 4.11 -1.26 -3.85 117.16 121.02 3k72 n TYR 465 Ca -0.12 -0.33 0.00 0.00 -0.00 0.00 0.00 57.90 57.45 3k72 n TYR 465 Cb 0.60 0.14 0.00 0.00 -0.00 0.00 0.00 39.34 40.09 3k72 n TYR 465 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 3k72 n GLU 466 N -0.59 0.00 0.00 -3.48 0.28 -1.26 -4.96 120.64 110.63 3k72 n GLU 466 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 3k72 n GLU 466 Cb 0.35 -0.21 0.00 0.00 1.43 0.00 0.00 31.44 33.00 3k72 n GLU 466 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3k72 n GLN 467 N -1.28 0.37 -4.59 3.44 1.13 -1.26 -5.07 117.38 110.13 3k72 n GLN 467 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 3k72 n GLN 467 Cb 0.00 -0.60 -0.17 0.00 0.11 0.00 0.00 30.24 29.59 3k72 n GLN 467 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k72 s THR 468 N -1.19 1.66 -0.45 5.09 2.01 -1.26 -5.04 115.64 116.46 3k72 s THR 468 Ca 0.00 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 3k72 s THR 468 Cb 0.00 -1.50 0.13 0.00 0.01 0.00 0.00 72.50 71.15 3k72 s THR 468 CO 0.00 0.47 2.51 0.54 -0.69 0.00 0.00 174.62 177.45 3k72 n ARG 469 N 4.08 2.28 -0.22 4.92 1.74 -1.26 -4.58 116.66 123.62 3k72 n ARG 469 Ca -0.19 -2.25 -0.06 0.00 -0.77 0.00 0.00 57.85 54.58 3k72 n ARG 469 Cb 0.51 -2.02 0.04 0.00 -1.02 0.00 0.00 32.46 29.97 3k72 n ARG 469 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3k72 h GLY 470 N 3.42 0.92 0.00 -0.13 0.00 -1.74 0.50 103.07 106.04 3k72 h GLY 470 Ca 0.39 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3k72 h GLY 470 CO 0.91 0.38 0.00 0.61 0.00 0.00 0.00 176.54 178.44 3k72 n GLY 471 N -1.12 0.96 3.50 4.60 0.00 -1.25 -2.09 105.19 109.79 3k72 n GLY 471 Ca 0.05 -1.93 -0.00 0.00 0.00 0.00 0.00 46.02 44.14 3k72 n GLY 471 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k72 s GLN 472 N -1.89 0.37 0.01 1.61 2.00 -0.48 -4.74 119.66 116.53 3k72 s GLN 472 Ca 0.00 0.85 0.06 0.00 -2.00 0.00 0.00 55.36 54.27 3k72 s GLN 472 Cb 0.00 0.42 -0.03 0.00 0.80 0.00 0.00 33.01 34.20 3k72 s GLN 472 CO 0.00 -0.11 -0.18 0.08 -0.50 0.00 0.00 175.29 174.58 3k72 s VAL 473 N 2.26 2.79 -0.13 1.34 1.01 -1.08 -0.73 120.40 125.85 3k72 s VAL 473 Ca -0.05 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.92 3k72 s VAL 473 Cb -0.06 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.20 3k72 s VAL 473 CO -0.17 0.45 -0.19 -0.55 0.00 0.00 0.00 175.10 174.63 3k72 s SER 474 N -1.12 2.85 -0.08 3.32 0.15 -0.40 -2.58 113.70 115.84 3k72 s SER 474 Ca 0.13 -0.54 -0.22 0.00 0.70 0.00 0.00 55.95 56.03 3k72 s SER 474 Cb -0.10 -1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 62.86 3k72 s SER 474 CO 0.03 0.04 0.63 0.54 1.20 0.00 0.00 173.24 175.68 3k72 s VAL 475 N 0.97 5.08 -0.33 4.45 0.11 -1.25 -0.96 120.40 128.48 3k72 s VAL 475 Ca -0.05 1.29 0.00 0.00 -2.93 0.00 0.00 61.98 60.29 3k72 s VAL 475 Cb -0.15 -3.97 0.14 0.00 -1.53 0.00 0.00 36.38 30.87 3k72 s VAL 475 CO -0.04 0.28 0.28 0.00 -3.33 0.00 0.00 175.10 172.30 3k72 n PRO 477 N 4.64 -2.13 -3.08 0.00 -0.02 -1.26 -1.31 135.00 131.84 3k72 n PRO 477 Ca 0.05 -0.59 -0.32 0.00 -2.02 0.00 0.00 63.50 60.62 3k72 n PRO 477 Cb 0.43 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 3k72 n PRO 477 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3k72 n LEU 478 N -3.89 5.02 -4.54 2.45 -0.00 -0.98 -4.72 117.00 110.34 3k72 n LEU 478 Ca 0.03 -5.47 -0.46 0.00 -0.00 0.00 0.00 56.01 50.11 3k72 n LEU 478 Cb 0.56 -0.82 -0.02 0.00 -0.00 0.00 0.00 43.42 43.14 3k72 n LEU 478 CO 0.55 2.08 0.45 -2.65 -0.00 0.00 0.00 177.39 177.82 3k72 n PRO 479 N 0.47 1.00 -3.93 1.96 -0.02 -1.26 -4.98 135.00 128.23 3k72 n PRO 479 Ca 0.32 0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 61.80 3k72 n PRO 479 Cb 0.37 -1.65 -0.08 0.00 -0.02 0.00 0.00 33.50 32.12 3k72 n PRO 479 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3k72 s ARG 480 N -1.28 3.73 0.00 -0.52 6.06 -1.26 -4.88 118.95 120.80 3k72 s ARG 480 Ca 0.62 -0.24 0.00 0.00 -2.50 0.00 0.00 55.73 53.60 3k72 s ARG 480 Cb -0.78 -3.21 0.00 0.00 0.06 0.00 0.00 34.95 31.02 3k72 s ARG 480 CO 0.58 0.51 0.00 0.41 -2.50 0.00 0.00 175.30 174.30 3k72 n GLY 481 N 2.82 1.62 3.32 8.12 0.00 -1.26 -5.01 105.19 114.80 3k72 n GLY 481 Ca -0.18 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 3k72 n GLY 481 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3k72 n TRP 482 N 0.00 -1.63 -0.87 1.61 8.01 -1.26 -3.45 117.44 119.85 3k72 n TRP 482 Ca 0.00 -0.05 0.00 0.00 -1.31 0.00 0.00 57.50 56.14 3k72 n TRP 482 Cb 0.00 -1.57 0.00 0.00 -2.01 0.00 0.00 31.31 27.73 3k72 n TRP 482 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3k72 n ARG 483 N -3.36 -0.48 -3.68 -0.99 1.74 -1.10 -4.95 116.66 103.85 3k72 n ARG 483 Ca 0.02 0.12 -0.14 0.00 -0.77 0.00 0.00 57.85 57.08 3k72 n ARG 483 Cb 0.58 -3.74 -0.14 0.00 -1.02 0.00 0.00 32.46 28.14 3k72 n ARG 483 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3k72 s ARG 484 N -0.74 0.14 -0.30 5.56 3.52 -1.22 -5.08 118.95 120.83 3k72 s ARG 484 Ca 0.00 0.67 -0.16 0.00 -0.13 0.00 0.00 55.73 56.11 3k72 s ARG 484 Cb 0.00 -0.09 0.16 0.00 -1.56 0.00 0.00 34.95 33.46 3k72 s ARG 484 CO 0.00 -0.26 1.01 -0.46 -0.81 0.00 0.00 175.30 174.78 3k72 s TRP 485 N 2.12 -0.58 -0.11 5.12 -0.00 -1.26 -4.83 118.94 119.40 3k72 s TRP 485 Ca -0.01 1.07 0.03 0.00 -0.00 0.00 0.00 56.10 57.18 3k72 s TRP 485 Cb -0.12 0.35 0.01 0.00 -0.00 0.00 0.00 33.47 33.71 3k72 s TRP 485 CO -0.08 -0.29 -0.20 1.67 -0.00 0.00 0.00 176.95 178.06 3k72 s TRP 486 N 1.91 2.30 -2.00 5.86 -2.14 -1.26 -4.77 118.94 118.83 3k72 s TRP 486 Ca -0.05 -1.04 0.13 0.00 2.66 0.00 0.00 56.10 57.79 3k72 s TRP 486 Cb -0.05 -1.59 0.75 0.00 -3.10 0.00 0.00 33.47 29.49 3k72 s TRP 486 CO -0.16 -0.48 1.35 0.00 -2.66 0.00 0.00 176.95 175.00 3k72 n ASP 488 N -0.74 5.53 -3.31 0.00 2.03 -1.26 -4.36 116.55 114.43 3k72 n ASP 488 Ca 0.09 -3.63 -0.38 0.00 0.52 0.00 0.00 54.79 51.40 3k72 n ASP 488 Cb 0.04 -0.85 -0.03 0.00 -0.72 0.00 0.00 41.12 39.57 3k72 n ASP 488 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k72 n ALA 489 N 0.13 7.37 -0.51 -1.67 0.00 -1.26 -4.91 120.51 119.66 3k72 n ALA 489 Ca 0.35 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.36 3k72 n ALA 489 Cb 0.34 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.44 3k72 n ALA 489 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k72 n VAL 490 N 3.65 0.00 -1.57 0.00 0.31 -1.26 -4.90 118.33 114.56 3k72 n VAL 490 Ca 0.76 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.87 3k72 n VAL 490 Cb 0.23 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.32 3k72 n VAL 490 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k72 n LEU 491 N 0.00 0.00 -3.23 7.52 -0.00 -1.26 -4.95 117.00 115.08 3k72 n LEU 491 Ca 0.00 -1.05 0.04 0.00 -0.00 0.00 0.00 56.01 54.99 3k72 n LEU 491 Cb 0.00 -0.76 -0.03 0.00 -0.00 0.00 0.00 43.42 42.64 3k72 n LEU 491 CO 0.00 -1.31 0.58 -0.72 -0.00 0.00 0.00 177.39 175.94 3k72 s TYR 492 N -3.06 -0.64 0.52 1.47 1.13 -1.26 -3.80 117.35 111.72 3k72 s TYR 492 Ca 0.56 0.83 -0.20 0.00 -1.41 0.00 0.00 57.07 56.85 3k72 s TYR 492 Cb -0.02 0.28 -0.07 0.00 -1.10 0.00 0.00 41.96 41.05 3k72 s TYR 492 CO 0.40 -0.34 1.11 0.20 -2.51 0.00 0.00 175.55 174.41 3k72 s GLY 493 N 2.72 2.62 0.00 5.49 0.00 -1.07 -4.85 107.32 112.23 3k72 s GLY 493 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.51 3k72 s GLY 493 CO -0.14 1.14 0.00 1.18 0.00 0.00 0.00 173.10 175.28 3k72 n GLU 494 N -1.16 0.00 -3.64 2.90 1.02 -1.26 -2.63 120.64 115.87 3k72 n GLU 494 Ca 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.22 3k72 n GLU 494 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.90 3k72 n GLU 494 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3k72 s GLN 495 N 4.52 0.06 -1.26 3.49 2.00 -1.26 -5.03 119.66 122.18 3k72 s GLN 495 Ca 0.00 -0.01 -0.08 0.00 -2.00 0.00 0.00 55.36 53.26 3k72 s GLN 495 Cb 0.00 0.03 0.18 0.00 0.80 0.00 0.00 33.01 34.02 3k72 s GLN 495 CO 0.00 -0.02 1.89 0.41 -0.50 0.00 0.00 175.29 177.07 3k72 n GLY 496 N 0.12 4.88 3.15 2.59 0.00 -1.26 -4.43 105.19 110.24 3k72 n GLY 496 Ca 0.04 -2.16 0.05 0.00 0.00 0.00 0.00 46.02 43.94 3k72 n GLY 496 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3k72 s HIS 497 N -0.17 -1.34 0.97 1.61 5.04 -1.26 -5.07 115.29 115.07 3k72 s HIS 497 Ca 0.40 0.96 -0.13 0.00 -1.54 0.00 0.00 55.06 54.75 3k72 s HIS 497 Cb 0.10 0.30 0.06 0.00 0.04 0.00 0.00 32.58 33.08 3k72 s HIS 497 CO 0.00 -0.77 0.44 -2.30 -2.34 0.00 0.00 174.74 169.78 3k72 n PRO 498 N 5.36 -0.51 -3.99 2.88 -0.02 -1.26 -3.39 135.00 134.07 3k72 n PRO 498 Ca 0.03 -0.11 -0.30 0.00 -2.02 0.00 0.00 63.50 61.10 3k72 n PRO 498 Cb 0.54 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 32.11 3k72 n PRO 498 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3k72 n TRP 499 N -3.79 -1.58 -0.01 6.00 7.02 0.17 -4.68 117.44 120.57 3k72 n TRP 499 Ca 0.06 0.58 0.05 0.00 -1.02 0.00 0.00 57.50 57.18 3k72 n TRP 499 Cb 0.54 -3.38 -0.11 0.00 -2.42 0.00 0.00 31.31 25.95 3k72 n TRP 499 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3k72 n GLY 500 N -2.06 -0.62 3.49 6.99 0.00 -1.11 -4.39 105.19 107.48 3k72 n GLY 500 Ca -0.25 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 3k72 n GLY 500 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k72 n ARG 501 N -2.03 -2.49 -3.07 1.61 1.74 -1.04 -0.70 116.66 110.68 3k72 n ARG 501 Ca -0.05 0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 3k72 n ARG 501 Cb 0.42 -5.10 -0.06 0.00 -1.02 0.00 0.00 32.46 26.69 3k72 n ARG 501 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3k72 s PHE 502 N -3.46 3.12 0.00 -1.55 2.19 -0.89 -3.64 117.98 113.76 3k72 s PHE 502 Ca 0.37 0.34 0.00 0.00 0.33 0.00 0.00 56.93 57.97 3k72 s PHE 502 Cb -0.09 -3.25 0.00 0.00 -1.31 0.00 0.00 43.02 38.37 3k72 s PHE 502 CO 0.80 -0.70 0.00 0.41 1.83 0.00 0.00 175.22 177.56 3k72 n GLY 503 N 4.70 1.39 0.37 13.12 0.00 -0.86 -1.38 105.19 122.51 3k72 n GLY 503 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3k72 n GLY 503 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 h ALA 504 N 0.00 1.63 -2.96 4.61 0.00 -1.62 -3.40 119.26 117.52 3k72 h ALA 504 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3k72 h ALA 504 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3k72 h ALA 504 CO 0.00 0.18 0.02 0.00 0.00 0.00 0.00 179.25 179.45 3k72 s ALA 505 N -5.82 0.08 0.00 0.00 0.00 -1.25 -4.75 121.76 110.02 3k72 s ALA 505 Ca -0.11 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3k72 s ALA 505 Cb 0.21 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.27 3k72 s ALA 505 CO 0.79 -0.88 0.00 1.47 0.00 0.00 0.00 175.76 177.14 3k72 n LEU 506 N -0.55 0.00 -3.77 0.00 -0.00 -1.26 -2.05 117.00 109.38 3k72 n LEU 506 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.85 3k72 n LEU 506 Cb 0.61 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.94 3k72 n LEU 506 CO 0.28 0.00 0.01 0.28 -0.00 0.00 0.00 177.39 177.96 3k72 s THR 507 N -2.00 0.06 0.20 1.47 -1.32 -1.10 -4.86 115.64 108.08 3k72 s THR 507 Ca 0.00 -0.48 -0.31 0.00 -1.21 0.00 0.00 61.69 59.69 3k72 s THR 507 Cb 0.00 -0.60 -0.10 0.00 -1.51 0.00 0.00 72.50 70.29 3k72 s THR 507 CO 0.00 -0.26 1.53 0.54 -2.21 0.00 0.00 174.62 174.22 3k72 s VAL 508 N -1.31 2.61 -0.17 5.08 0.11 -1.26 -2.87 120.40 122.59 3k72 s VAL 508 Ca -0.13 0.46 0.08 0.00 -2.93 0.00 0.00 61.98 59.46 3k72 s VAL 508 Cb -0.05 -3.29 -0.16 0.00 -1.53 0.00 0.00 36.38 31.34 3k72 s VAL 508 CO 0.04 0.05 -0.05 -0.11 -3.33 0.00 0.00 175.10 171.70 3k72 n LEU 509 N 3.39 1.39 0.00 2.54 7.94 -1.01 -4.23 117.00 127.02 3k72 n LEU 509 Ca 0.11 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 3k72 n LEU 509 Cb 0.39 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.22 3k72 n LEU 509 CO 0.61 0.59 0.00 0.61 -1.11 0.00 0.00 177.39 178.09 3k72 n GLY 510 N 2.30 -0.78 3.57 -3.96 0.00 -0.93 -4.19 105.19 101.19 3k72 n GLY 510 Ca -0.29 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 3k72 n GLY 510 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k72 s ASP 511 N -4.00 6.47 -0.12 1.61 -1.08 -1.26 0.19 116.67 118.48 3k72 s ASP 511 Ca 0.00 0.11 0.01 0.00 -0.52 0.00 0.00 52.55 52.15 3k72 s ASP 511 Cb 0.00 -2.52 -0.08 0.00 -1.46 0.00 0.00 42.92 38.86 3k72 s ASP 511 CO 0.00 -1.34 -0.10 1.33 0.52 0.00 0.00 175.17 175.58 3k72 n VAL 512 N 6.61 0.69 1.23 1.11 0.24 -1.26 -4.61 118.33 122.33 3k72 n VAL 512 Ca 0.08 -0.27 0.13 0.00 -2.04 0.00 0.00 64.34 62.23 3k72 n VAL 512 Cb 0.49 -0.92 0.29 0.00 -1.47 0.00 0.00 33.84 32.23 3k72 n VAL 512 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3k72 n ASN 513 N -2.82 1.82 -0.22 -1.34 0.23 -1.26 -4.67 115.26 107.00 3k72 n ASN 513 Ca -0.21 -1.46 -0.03 0.00 -0.53 0.00 0.00 54.58 52.35 3k72 n ASN 513 Cb 0.73 0.12 -0.01 0.00 -2.08 0.00 0.00 39.78 38.54 3k72 n ASN 513 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k72 n GLY 514 N 1.30 0.60 1.81 4.83 0.00 -1.26 -4.86 105.19 107.61 3k72 n GLY 514 Ca 0.14 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 3k72 n GLY 514 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k72 n ASP 515 N 0.55 3.94 0.00 1.61 5.68 -1.26 -4.88 116.55 122.19 3k72 n ASP 515 Ca -0.03 -3.05 0.00 0.00 -0.50 0.00 0.00 54.79 51.21 3k72 n ASP 515 Cb 0.15 -0.72 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 3k72 n ASP 515 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k72 n LYS 516 N -0.33 -1.10 -3.86 0.11 4.76 -1.26 -4.92 118.16 111.56 3k72 n LYS 516 Ca 0.37 0.27 -0.34 0.00 -2.87 0.00 0.00 58.31 55.75 3k72 n LYS 516 Cb 1.25 -4.44 -0.13 0.00 -1.84 0.00 0.00 35.03 29.88 3k72 n LYS 516 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3k72 s LEU 517 N 0.00 5.01 0.49 -0.35 1.43 -1.26 -4.53 118.68 119.47 3k72 s LEU 517 Ca 0.00 -2.25 -0.20 0.00 -1.03 0.00 0.00 54.13 50.65 3k72 s LEU 517 Cb 0.00 -1.75 -0.12 0.00 0.03 0.00 0.00 46.19 44.35 3k72 s LEU 517 CO 0.00 -0.44 0.30 1.07 0.23 0.00 0.00 176.35 177.50 3k72 n THR 518 N 4.23 1.29 -4.34 5.49 5.66 -0.81 -4.38 114.28 121.43 3k72 n THR 518 Ca 0.02 -0.50 -0.22 0.00 -3.05 0.00 0.00 64.05 60.29 3k72 n THR 518 Cb 0.40 -0.36 -0.13 0.00 -1.55 0.00 0.00 70.33 68.69 3k72 n THR 518 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3k72 s ASP 519 N -1.04 2.22 0.24 1.09 1.01 0.13 -2.23 116.67 118.10 3k72 s ASP 519 Ca 0.63 -0.61 0.10 0.00 0.71 0.00 0.00 52.55 53.38 3k72 s ASP 519 Cb -0.53 -0.13 -0.05 0.00 1.01 0.00 0.00 42.92 43.22 3k72 s ASP 519 CO 0.60 0.04 -0.18 0.68 0.21 0.00 0.00 175.17 176.53 3k72 s VAL 520 N -1.08 2.15 0.11 -1.27 -7.23 -1.10 -2.19 120.40 109.78 3k72 s VAL 520 Ca 0.04 -2.31 0.10 0.00 -1.81 0.00 0.00 61.98 58.00 3k72 s VAL 520 Cb -0.09 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 3k72 s VAL 520 CO 0.03 -0.48 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.41 3k72 s VAL 521 N -2.70 2.46 -0.04 1.32 1.01 -1.14 -2.40 120.40 118.92 3k72 s VAL 521 Ca 0.26 -1.58 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 3k72 s VAL 521 Cb -0.03 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.30 3k72 s VAL 521 CO 0.11 0.15 0.08 -0.63 0.00 0.00 0.00 175.10 174.82 3k72 s ILE 522 N -1.04 -0.05 0.47 2.22 1.01 -0.99 -2.72 121.20 120.10 3k72 s ILE 522 Ca 0.15 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 3k72 s ILE 522 Cb -0.10 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.19 3k72 s ILE 522 CO 0.07 0.07 0.74 -0.83 0.00 0.00 0.00 174.94 174.99 3k72 s GLY 523 N 1.02 1.49 -0.43 6.18 0.00 -0.87 -1.14 107.32 113.56 3k72 s GLY 523 Ca -0.08 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 43.99 3k72 s GLY 523 CO -0.04 -0.50 0.96 0.00 0.00 0.00 0.00 173.10 173.52 3k72 n ALA 524 N -2.19 -2.53 1.05 3.20 0.00 -0.34 -2.04 120.51 117.66 3k72 n ALA 524 Ca 0.00 -0.74 0.07 0.00 0.00 0.00 0.00 53.44 52.77 3k72 n ALA 524 Cb 0.56 -2.21 0.40 0.00 0.00 0.00 0.00 19.45 18.19 3k72 n ALA 524 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3k72 n PRO 525 N 2.20 0.52 0.00 0.00 -0.02 -1.24 -2.34 135.00 134.12 3k72 n PRO 525 Ca 0.11 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.68 3k72 n PRO 525 Cb 0.63 -1.40 -0.03 0.00 -0.02 0.00 0.00 33.50 32.68 3k72 n PRO 525 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k72 n GLY 526 N 0.04 -0.20 3.46 -1.23 0.00 0.13 -4.09 105.19 103.30 3k72 n GLY 526 Ca 0.10 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 3k72 n GLY 526 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k72 n GLU 527 N -0.43 -1.32 0.00 1.61 -0.58 -1.03 -3.93 120.64 114.97 3k72 n GLU 527 Ca 0.07 -0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 3k72 n GLU 527 Cb 0.38 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 3k72 n GLU 527 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3k72 n GLU 528 N -3.38 0.00 -1.95 3.49 1.02 -1.26 -1.40 120.64 117.16 3k72 n GLU 528 Ca 0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 3k72 n GLU 528 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 3k72 n GLU 528 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3k72 n GLU 529 N 0.00 2.96 0.00 3.49 0.28 -1.26 -4.31 120.64 121.79 3k72 n GLU 529 Ca 0.00 -2.79 0.00 0.00 -0.16 0.00 0.00 57.16 54.21 3k72 n GLU 529 Cb 0.00 -3.32 0.00 0.00 1.43 0.00 0.00 31.44 29.55 3k72 n GLU 529 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3k72 n ASN 530 N 6.52 0.00 -4.44 -1.84 5.15 -1.12 -4.96 115.26 114.57 3k72 n ASN 530 Ca 0.51 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 54.18 3k72 n ASN 530 Cb 0.40 -0.82 0.20 0.00 -0.53 0.00 0.00 39.78 39.03 3k72 n ASN 530 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3k72 n ARG 531 N -1.99 -1.60 -2.25 1.20 5.12 -0.50 -3.87 116.66 112.78 3k72 n ARG 531 Ca 0.00 -0.43 -0.27 0.00 -1.93 0.00 0.00 57.85 55.22 3k72 n ARG 531 Cb 0.00 -2.02 0.14 0.00 -1.16 0.00 0.00 32.46 29.42 3k72 n ARG 531 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3k72 s GLY 532 N -2.22 1.76 -0.18 -0.13 0.00 -0.78 -2.46 107.32 103.31 3k72 s GLY 532 Ca 0.63 -1.40 -0.31 0.00 0.00 0.00 0.00 44.72 43.64 3k72 s GLY 532 CO 0.65 -0.76 1.12 0.00 0.00 0.00 0.00 173.10 174.11 3k72 s ALA 533 N -3.49 -2.00 0.06 3.20 0.00 -0.99 -1.71 121.76 116.83 3k72 s ALA 533 Ca 0.69 1.58 -0.06 0.00 0.00 0.00 0.00 51.96 54.17 3k72 s ALA 533 Cb -0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3k72 s ALA 533 CO 0.48 -0.43 0.12 0.08 0.00 0.00 0.00 175.76 176.01 3k72 s VAL 534 N -1.75 0.15 0.12 0.00 1.01 -0.80 -1.20 120.40 117.93 3k72 s VAL 534 Ca 0.05 -1.23 0.04 0.00 0.00 0.00 0.00 61.98 60.84 3k72 s VAL 534 Cb -0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3k72 s VAL 534 CO -0.04 -0.68 -0.10 -0.31 0.00 0.00 0.00 175.10 173.98 3k72 s TYR 535 N -3.29 1.14 -0.07 5.22 2.02 -0.29 -3.33 117.35 118.74 3k72 s TYR 535 Ca 0.01 -0.75 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 3k72 s TYR 535 Cb 0.03 -0.60 0.02 0.00 -0.40 0.00 0.00 41.96 41.01 3k72 s TYR 535 CO -0.08 0.02 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.71 3k72 s LEU 536 N -2.91 1.05 0.42 -1.29 2.96 -1.13 -2.34 118.68 115.44 3k72 s LEU 536 Ca 0.12 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 3k72 s LEU 536 Cb 0.01 -0.53 -0.06 0.00 0.50 0.00 0.00 46.19 46.11 3k72 s LEU 536 CO -0.01 -0.11 0.02 -0.36 -1.32 0.00 0.00 176.35 174.57 3k72 s PHE 537 N 1.41 2.30 0.06 5.38 0.40 -1.01 -2.29 117.98 124.24 3k72 s PHE 537 Ca -0.03 -0.78 0.02 0.00 -0.60 0.00 0.00 56.93 55.54 3k72 s PHE 537 Cb -0.13 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 3k72 s PHE 537 CO -0.03 0.33 -0.07 -1.01 0.70 0.00 0.00 175.22 175.14 3k72 s HIS 538 N -2.83 0.74 0.82 0.36 3.76 -1.26 -2.72 115.29 114.17 3k72 s HIS 538 Ca 0.28 -0.66 -0.14 0.00 -0.15 0.00 0.00 55.06 54.40 3k72 s HIS 538 Cb 0.08 -0.44 0.19 0.00 1.11 0.00 0.00 32.58 33.52 3k72 s HIS 538 CO 0.14 -0.11 0.99 0.41 -0.85 0.00 0.00 174.74 175.32 3k72 n GLY 539 N 0.91 -1.78 0.00 -2.22 0.00 -0.95 -1.03 105.19 100.12 3k72 n GLY 539 Ca -0.19 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3k72 n GLY 539 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k72 n VAL 540 N -3.70 0.00 -3.29 1.61 0.31 -1.24 -4.68 118.33 107.33 3k72 n VAL 540 Ca 0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.39 3k72 n VAL 540 Cb 0.46 -0.10 -0.06 0.00 -0.91 0.00 0.00 33.84 33.23 3k72 n VAL 540 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3k72 s LEU 541 N -1.73 -0.85 0.00 7.52 1.43 -1.26 -5.01 118.68 118.78 3k72 s LEU 541 Ca 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3k72 s LEU 541 Cb 0.00 1.27 0.00 0.00 0.03 0.00 0.00 46.19 47.49 3k72 s LEU 541 CO 0.00 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.87 3k72 n GLY 542 N 5.37 0.94 3.55 -3.19 0.00 -1.26 -4.56 105.19 106.04 3k72 n GLY 542 Ca -0.01 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 3k72 n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k72 s PRO 543 N 0.00 3.13 0.00 1.61 0.04 -1.26 -4.73 135.00 133.78 3k72 s PRO 543 Ca 0.00 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 60.78 3k72 s PRO 543 Cb 0.00 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 30.04 3k72 s PRO 543 CO 0.00 -2.34 0.00 -1.13 0.04 0.00 0.00 177.00 173.57 3k72 n SER 544 N 10.17 0.00 -4.17 6.66 3.41 -1.26 -5.01 113.62 123.42 3k72 n SER 544 Ca 0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.61 3k72 n SER 544 Cb 0.50 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 3k72 n SER 544 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3k72 s ILE 545 N -2.00 0.20 -0.47 -1.33 -4.36 -1.26 -3.65 121.20 108.33 3k72 s ILE 545 Ca 0.00 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.24 3k72 s ILE 545 Cb 0.00 -2.54 0.07 0.00 1.25 0.00 0.00 42.46 41.24 3k72 s ILE 545 CO 0.00 0.00 0.39 -0.55 0.24 0.00 0.00 174.94 175.02 3k72 s SER 546 N -3.24 6.14 0.26 4.36 0.15 -0.20 -4.90 113.70 116.27 3k72 s SER 546 Ca 0.38 -1.31 -0.05 0.00 0.70 0.00 0.00 55.95 55.68 3k72 s SER 546 Cb 0.07 -2.18 0.50 0.00 -1.71 0.00 0.00 66.02 62.70 3k72 s SER 546 CO 0.14 -0.64 1.64 -0.65 1.20 0.00 0.00 173.24 174.93 3k72 h PRO 547 N 8.74 0.13 -6.34 5.44 0.11 -1.98 -3.36 132.00 134.75 3k72 h PRO 547 Ca -0.28 -0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.25 3k72 h PRO 547 Cb 1.11 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3k72 h PRO 547 CO 0.87 0.09 1.10 -1.12 -0.21 0.00 0.00 178.00 178.72 3k72 s SER 548 N -5.17 6.39 0.61 -2.05 0.01 -1.26 -4.86 113.70 107.36 3k72 s SER 548 Ca -0.13 1.35 -0.13 0.00 1.31 0.00 0.00 55.95 58.34 3k72 s SER 548 Cb 0.23 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 3k72 s SER 548 CO 0.76 -1.30 1.03 -1.38 0.41 0.00 0.00 173.24 172.76 3k72 s HIS 549 N 5.24 3.34 -0.12 2.43 -3.43 -1.26 -4.84 115.29 116.65 3k72 s HIS 549 Ca 0.67 1.41 0.15 0.00 -0.80 0.00 0.00 55.06 56.49 3k72 s HIS 549 Cb -0.21 -2.83 -0.24 0.00 -1.43 0.00 0.00 32.58 27.88 3k72 s HIS 549 CO 0.29 -0.82 0.41 -1.13 -2.00 0.00 0.00 174.74 171.49 3k72 n SER 550 N -2.40 0.47 -4.11 7.38 3.41 -0.97 -4.98 113.62 112.43 3k72 n SER 550 Ca 0.07 0.22 -0.11 0.00 -0.26 0.00 0.00 58.87 58.79 3k72 n SER 550 Cb 0.54 0.46 -0.11 0.00 -0.26 0.00 0.00 64.21 64.84 3k72 n SER 550 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3k72 s GLN 551 N -2.59 0.66 -0.40 4.33 0.74 -1.26 -4.80 119.66 116.35 3k72 s GLN 551 Ca -0.07 -1.04 0.10 0.00 0.05 0.00 0.00 55.36 54.40 3k72 s GLN 551 Cb 0.07 -0.22 0.32 0.00 1.10 0.00 0.00 33.01 34.29 3k72 s GLN 551 CO 0.83 0.01 0.81 -2.13 -0.55 0.00 0.00 175.29 174.25 3k72 n ARG 552 N 0.72 0.94 -1.80 1.67 0.63 -1.26 -2.85 116.66 114.70 3k72 n ARG 552 Ca -0.18 -2.90 -0.43 0.00 -0.92 0.00 0.00 57.85 53.43 3k72 n ARG 552 Cb 0.58 -1.46 -0.03 0.00 0.45 0.00 0.00 32.46 32.00 3k72 n ARG 552 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3k72 s ILE 553 N -1.40 3.24 0.11 5.15 1.01 -1.21 -4.81 121.20 123.29 3k72 s ILE 553 Ca 0.34 0.24 0.01 0.00 0.00 0.00 0.00 60.65 61.25 3k72 s ILE 553 Cb 0.30 -3.33 0.01 0.00 0.01 0.00 0.00 42.46 39.46 3k72 s ILE 553 CO -0.09 -0.21 0.08 0.00 0.00 0.00 0.00 174.94 174.72 3k72 n ALA 554 N 11.07 0.17 1.53 9.38 0.00 -1.26 -1.90 120.51 139.50 3k72 n ALA 554 Ca 0.26 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3k72 n ALA 554 Cb 0.46 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3k72 n ALA 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k72 n GLY 555 N 3.68 -0.19 1.34 0.00 0.00 -0.69 -3.04 105.19 106.29 3k72 n GLY 555 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3k72 n GLY 555 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k72 n SER 556 N -0.33 3.91 -3.68 1.61 7.64 -1.26 -4.34 113.62 117.16 3k72 n SER 556 Ca 0.00 -2.03 -0.41 0.00 1.01 0.00 0.00 58.87 57.44 3k72 n SER 556 Cb 0.07 -0.49 0.01 0.00 -1.01 0.00 0.00 64.21 62.79 3k72 n SER 556 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k72 n GLN 557 N 1.57 4.77 -3.28 1.43 1.13 -1.17 -4.60 117.38 117.23 3k72 n GLN 557 Ca 0.24 -4.11 -0.22 0.00 -1.94 0.00 0.00 57.00 50.96 3k72 n GLN 557 Cb 0.63 -2.59 -0.04 0.00 0.11 0.00 0.00 30.24 28.35 3k72 n GLN 557 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3k72 n LEU 558 N 1.27 -0.43 -4.57 1.08 4.77 -1.26 -4.85 117.00 113.00 3k72 n LEU 558 Ca 0.47 -0.52 -0.41 0.00 -0.03 0.00 0.00 56.01 55.52 3k72 n LEU 558 Cb 0.28 -1.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.25 3k72 n LEU 558 CO 0.65 0.05 1.43 -0.55 -1.33 0.00 0.00 177.39 177.64 3k72 s SER 559 N -2.36 5.81 0.12 -1.43 0.15 -1.26 -4.93 113.70 109.79 3k72 s SER 559 Ca 0.44 0.54 -0.33 0.00 0.70 0.00 0.00 55.95 57.30 3k72 s SER 559 Cb -0.26 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.40 3k72 s SER 559 CO 0.54 -1.91 1.56 0.28 1.20 0.00 0.00 173.24 174.90 3k72 h SER 560 N 12.69 -1.65 -0.75 5.45 0.02 -1.89 -3.41 113.55 124.01 3k72 h SER 560 Ca -0.28 0.19 -0.17 0.00 -0.84 0.00 0.00 61.79 60.69 3k72 h SER 560 Cb 1.13 0.64 -0.16 0.00 0.14 0.00 0.00 62.40 64.16 3k72 h SER 560 CO 1.16 -0.49 -0.50 0.54 -1.14 0.00 0.00 176.83 176.40 3k72 n ARG 561 N -5.45 0.60 -5.16 3.45 1.74 -1.26 -5.11 116.66 105.48 3k72 n ARG 561 Ca -0.06 -1.97 -0.31 0.00 -0.77 0.00 0.00 57.85 54.74 3k72 n ARG 561 Cb 0.38 -1.47 -0.17 0.00 -1.02 0.00 0.00 32.46 30.19 3k72 n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k72 s LEU 562 N 0.44 2.04 0.00 0.55 1.43 -1.26 -5.09 118.68 116.79 3k72 s LEU 562 Ca 0.31 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3k72 s LEU 562 Cb 0.06 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.95 3k72 s LEU 562 CO -0.10 0.16 0.35 1.67 0.23 0.00 0.00 176.35 178.65 3k72 n GLN 563 N 3.43 0.00 -4.27 1.70 7.27 -1.26 -4.49 117.38 119.76 3k72 n GLN 563 Ca -0.19 0.11 -0.34 0.00 0.07 0.00 0.00 57.00 56.65 3k72 n GLN 563 Cb 0.53 -0.89 -0.15 0.00 2.41 0.00 0.00 30.24 32.13 3k72 n GLN 563 CO 0.00 0.00 0.00 1.52 0.07 0.00 0.00 177.06 178.65 3k72 s TYR 564 N -0.91 2.84 0.04 3.69 -0.85 -1.25 -1.87 117.35 119.04 3k72 s TYR 564 Ca 0.00 -1.07 0.06 0.00 -0.52 0.00 0.00 57.07 55.53 3k72 s TYR 564 Cb 0.00 -1.96 -0.02 0.00 0.38 0.00 0.00 41.96 40.36 3k72 s TYR 564 CO 0.00 -0.53 -0.16 -0.59 -1.52 0.00 0.00 175.55 172.75 3k72 s PHE 565 N 1.07 1.40 0.00 -3.49 -0.12 -1.26 -2.94 117.98 112.64 3k72 s PHE 565 Ca -0.00 -0.36 0.00 0.00 -0.05 0.00 0.00 56.93 56.52 3k72 s PHE 565 Cb -0.15 -0.83 0.00 0.00 -0.63 0.00 0.00 43.02 41.41 3k72 s PHE 565 CO -0.03 0.05 0.00 0.41 -0.05 0.00 0.00 175.22 175.61 3k72 n GLY 566 N 1.87 0.75 0.40 1.99 0.00 -0.62 -2.66 105.19 106.92 3k72 n GLY 566 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 3k72 n GLY 566 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3k72 h GLN 567 N 3.95 -0.02 -4.91 1.61 4.20 -1.85 -3.38 115.11 114.71 3k72 h GLN 567 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 3k72 h GLN 567 Cb 0.00 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.64 3k72 h GLN 567 CO 0.00 -0.01 -0.67 0.00 -0.67 0.00 0.00 178.83 177.47 3k72 s ALA 568 N -5.78 1.47 -0.28 3.87 0.00 -1.26 -3.83 121.76 115.94 3k72 s ALA 568 Ca -0.13 -1.60 -0.26 0.00 0.00 0.00 0.00 51.96 49.97 3k72 s ALA 568 Cb 0.16 0.42 0.15 0.00 0.00 0.00 0.00 23.12 23.85 3k72 s ALA 568 CO 0.68 -0.26 1.21 -0.48 0.00 0.00 0.00 175.76 176.91 3k72 s LEU 569 N -3.20 -0.26 -0.11 0.00 0.05 -1.26 -1.94 118.68 111.97 3k72 s LEU 569 Ca 0.23 0.47 -0.06 0.00 0.05 0.00 0.00 54.13 54.82 3k72 s LEU 569 Cb 0.05 1.52 0.04 0.00 -2.05 0.00 0.00 46.19 45.76 3k72 s LEU 569 CO 0.04 -0.11 0.26 -0.44 -0.55 0.00 0.00 176.35 175.55 3k72 s SER 570 N -0.07 -0.28 0.32 1.48 0.01 -0.80 -4.15 113.70 110.21 3k72 s SER 570 Ca 0.05 0.55 0.02 0.00 1.31 0.00 0.00 55.95 57.88 3k72 s SER 570 Cb -0.04 0.45 -0.02 0.00 0.21 0.00 0.00 66.02 66.62 3k72 s SER 570 CO -0.09 -0.16 0.35 -0.83 0.41 0.00 0.00 173.24 172.92 3k72 s GLY 571 N 1.14 1.86 0.00 3.44 0.00 -1.26 -2.76 107.32 109.74 3k72 s GLY 571 Ca -0.08 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.86 3k72 s GLY 571 CO -0.08 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.38 3k72 n GLY 572 N -0.56 1.22 3.68 0.20 0.00 -0.79 -4.52 105.19 104.42 3k72 n GLY 572 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3k72 n GLY 572 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k72 s GLN 573 N 0.00 2.95 -0.51 1.61 1.11 -1.25 -4.70 119.66 118.87 3k72 s GLN 573 Ca 0.00 -0.43 -0.23 0.00 0.01 0.00 0.00 55.36 54.71 3k72 s GLN 573 Cb 0.00 -2.77 0.04 0.00 -1.01 0.00 0.00 33.01 29.27 3k72 s GLN 573 CO 0.00 0.70 0.81 0.34 0.01 0.00 0.00 175.29 177.15 3k72 s ASP 574 N -0.93 6.33 -0.08 5.90 2.15 -1.26 -1.68 116.67 127.11 3k72 s ASP 574 Ca 0.14 -0.41 0.06 0.00 0.43 0.00 0.00 52.55 52.76 3k72 s ASP 574 Cb -0.11 -2.38 -0.09 0.00 -0.30 0.00 0.00 42.92 40.03 3k72 s ASP 574 CO 0.03 -1.05 0.02 0.00 -0.17 0.00 0.00 175.17 174.00 3k72 n LEU 575 N 6.92 0.29 -0.00 -1.34 -0.00 -1.25 -4.45 117.00 117.16 3k72 n LEU 575 Ca -0.00 -0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.14 3k72 n LEU 575 Cb 0.47 0.14 0.57 0.00 -0.00 0.00 0.00 43.42 44.60 3k72 n LEU 575 CO 0.60 0.23 0.88 0.35 -0.00 0.00 0.00 177.39 179.45 3k72 n THR 576 N -2.33 0.00 -0.72 1.47 -2.24 -1.26 -4.77 114.28 104.43 3k72 n THR 576 Ca -0.13 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3k72 n THR 576 Cb 0.74 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3k72 n THR 576 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k72 n GLN 577 N -1.47 0.00 -2.30 -0.78 6.02 -1.26 -4.95 117.38 112.64 3k72 n GLN 577 Ca 0.07 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.67 3k72 n GLN 577 Cb 0.33 -3.50 -0.03 0.00 1.02 0.00 0.00 30.24 28.06 3k72 n GLN 577 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 3k72 s ASP 578 N -2.50 6.85 0.12 1.08 1.47 -1.26 -4.95 116.67 117.47 3k72 s ASP 578 Ca 0.00 2.42 -0.31 0.00 1.18 0.00 0.00 52.55 55.84 3k72 s ASP 578 Cb 0.00 -2.63 -0.11 0.00 -0.34 0.00 0.00 42.92 39.84 3k72 s ASP 578 CO 0.00 -0.45 1.52 1.23 0.68 0.00 0.00 175.17 178.14 3k72 h GLY 579 N 3.25 -1.10 -0.74 2.12 0.00 -1.92 -3.45 103.07 101.23 3k72 h GLY 579 Ca -0.48 0.70 -0.47 0.00 0.00 0.00 0.00 47.33 47.08 3k72 h GLY 579 CO 0.65 -0.19 0.37 -2.27 0.00 0.00 0.00 176.54 175.09 3k72 s LEU 580 N -9.98 2.38 1.12 3.11 2.96 -1.26 -4.85 118.68 112.16 3k72 s LEU 580 Ca -0.14 0.92 -0.14 0.00 -0.22 0.00 0.00 54.13 54.55 3k72 s LEU 580 Cb 0.07 -3.39 0.22 0.00 0.50 0.00 0.00 46.19 43.60 3k72 s LEU 580 CO 0.57 -2.08 0.80 1.33 -1.32 0.00 0.00 176.35 175.65 3k72 n VAL 581 N -3.45 0.00 -4.30 1.68 0.24 -1.26 -4.67 118.33 106.56 3k72 n VAL 581 Ca 0.07 -0.35 -0.16 0.00 -2.04 0.00 0.00 64.34 61.86 3k72 n VAL 581 Cb 0.60 -0.90 -0.10 0.00 -1.47 0.00 0.00 33.84 31.97 3k72 n VAL 581 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3k72 s ASP 582 N -2.30 1.85 -0.00 -1.34 1.01 -0.67 -3.57 116.67 111.64 3k72 s ASP 582 Ca 0.65 -1.13 0.06 0.00 0.71 0.00 0.00 52.55 52.84 3k72 s ASP 582 Cb -0.22 -0.00 -0.02 0.00 1.01 0.00 0.00 42.92 43.69 3k72 s ASP 582 CO 0.65 -0.43 -0.18 -0.22 0.21 0.00 0.00 175.17 175.19 3k72 s LEU 583 N -3.25 2.07 -0.18 1.23 2.96 -0.84 -1.88 118.68 118.78 3k72 s LEU 583 Ca 0.24 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3k72 s LEU 583 Cb 0.04 -0.93 0.03 0.00 0.50 0.00 0.00 46.19 45.83 3k72 s LEU 583 CO 0.05 0.20 -0.17 0.00 -1.32 0.00 0.00 176.35 175.12 3k72 s ALA 584 N -0.52 2.20 -0.21 5.97 0.00 -1.11 -1.72 121.76 126.38 3k72 s ALA 584 Ca 0.07 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.85 3k72 s ALA 584 Cb -0.07 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.88 3k72 s ALA 584 CO -0.00 -0.48 -0.16 0.08 0.00 0.00 0.00 175.76 175.19 3k72 s VAL 585 N 1.33 2.06 0.37 0.00 1.01 -0.79 -1.90 120.40 122.47 3k72 s VAL 585 Ca 0.03 -1.16 -0.24 0.00 0.00 0.00 0.00 61.98 60.61 3k72 s VAL 585 Cb -0.14 -1.98 -0.10 0.00 0.00 0.00 0.00 36.38 34.17 3k72 s VAL 585 CO -0.11 0.33 0.97 -0.83 0.00 0.00 0.00 175.10 175.46 3k72 s GLY 586 N 1.24 2.67 0.11 4.51 0.00 -0.82 -2.14 107.32 112.89 3k72 s GLY 586 Ca 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 44.72 45.21 3k72 s GLY 586 CO -0.10 0.93 0.13 0.00 0.00 0.00 0.00 173.10 174.06 3k72 s ALA 587 N -1.79 0.31 -0.20 3.20 0.00 -0.50 -1.58 121.76 121.19 3k72 s ALA 587 Ca 0.56 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.17 3k72 s ALA 587 Cb -0.17 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 3k72 s ALA 587 CO 0.22 -0.51 2.12 0.50 0.00 0.00 0.00 175.76 178.08 3k72 s ARG 588 N -3.96 3.29 0.00 0.00 3.52 -1.15 -2.76 118.95 117.89 3k72 s ARG 588 Ca 0.14 2.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.75 3k72 s ARG 588 Cb 0.06 -4.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.13 3k72 s ARG 588 CO -0.04 -1.92 0.00 0.41 -0.81 0.00 0.00 175.30 172.94 3k72 n GLY 589 N 5.54 3.01 3.26 8.12 0.00 -1.10 -4.81 105.19 119.21 3k72 n GLY 589 Ca 0.27 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 3k72 n GLY 589 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k72 s GLN 590 N 0.00 1.14 -0.03 1.61 -2.07 -1.11 -3.37 119.66 115.83 3k72 s GLN 590 Ca 0.00 -1.55 0.02 0.00 -1.82 0.00 0.00 55.36 52.02 3k72 s GLN 590 Cb 0.00 -0.36 0.00 0.00 -1.09 0.00 0.00 33.01 31.56 3k72 s GLN 590 CO 0.00 -0.10 -0.09 0.54 -1.32 0.00 0.00 175.29 174.32 3k72 s VAL 591 N -3.58 0.80 0.20 3.63 0.11 -0.64 -1.41 120.40 119.50 3k72 s VAL 591 Ca 0.24 -0.36 0.07 0.00 -2.93 0.00 0.00 61.98 59.00 3k72 s VAL 591 Cb 0.06 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3k72 s VAL 591 CO 0.04 0.25 0.05 -0.76 -3.33 0.00 0.00 175.10 171.35 3k72 s LEU 592 N 0.23 3.44 -0.18 2.54 1.02 -0.91 -1.97 118.68 122.85 3k72 s LEU 592 Ca -0.04 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 53.75 3k72 s LEU 592 Cb -0.09 -2.05 0.02 0.00 0.02 0.00 0.00 46.19 44.09 3k72 s LEU 592 CO 0.01 0.06 -0.17 -0.76 0.02 0.00 0.00 176.35 175.50 3k72 s LEU 593 N -3.20 2.10 -0.29 1.79 1.43 -0.99 -1.89 118.68 117.62 3k72 s LEU 593 Ca 0.29 -0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3k72 s LEU 593 Cb -0.09 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.76 3k72 s LEU 593 CO 0.20 -0.04 0.06 -0.76 0.23 0.00 0.00 176.35 176.05 3k72 s LEU 594 N 1.34 3.75 0.71 1.79 1.02 -0.70 -3.63 118.68 122.97 3k72 s LEU 594 Ca 0.04 -0.71 -0.11 0.00 0.02 0.00 0.00 54.13 53.37 3k72 s LEU 594 Cb -0.14 -1.86 0.02 0.00 0.02 0.00 0.00 46.19 44.24 3k72 s LEU 594 CO -0.12 -0.18 1.10 -0.13 0.02 0.00 0.00 176.35 177.05 3k72 s ARG 595 N 1.48 2.79 -0.31 1.70 0.52 -1.26 -1.98 118.95 121.89 3k72 s ARG 595 Ca 0.02 0.48 -0.10 0.00 -0.52 0.00 0.00 55.73 55.61 3k72 s ARG 595 Cb -0.17 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 3k72 s ARG 595 CO 0.02 -1.09 0.16 0.95 0.02 0.00 0.00 175.30 175.36 3k72 s THR 596 N -3.34 4.64 0.24 0.02 -4.23 -1.23 -1.89 115.64 109.85 3k72 s THR 596 Ca 0.58 -0.41 -0.30 0.00 -1.18 0.00 0.00 61.69 60.39 3k72 s THR 596 Cb -0.11 -3.37 -0.09 0.00 1.34 0.00 0.00 72.50 70.27 3k72 s THR 596 CO 0.52 0.06 1.05 -0.13 -0.54 0.00 0.00 174.62 175.58 3k72 s ARG 597 N 1.62 4.70 0.14 3.99 1.81 -0.24 -4.83 118.95 126.14 3k72 s ARG 597 Ca 0.05 1.68 -0.31 0.00 -1.72 0.00 0.00 55.73 55.43 3k72 s ARG 597 Cb -0.17 -3.24 -0.11 0.00 -0.45 0.00 0.00 34.95 30.98 3k72 s ARG 597 CO 0.06 0.27 1.83 -2.14 -0.68 0.00 0.00 175.30 174.64 3k72 s PRO 598 N -1.09 4.13 -0.44 3.54 0.02 -1.26 -4.79 135.00 135.12 3k72 s PRO 598 Ca 0.45 2.62 -0.07 0.00 0.02 0.00 0.00 61.00 64.02 3k72 s PRO 598 Cb -0.29 -3.51 0.10 0.00 0.02 0.00 0.00 34.50 30.82 3k72 s PRO 598 CO 0.37 -0.84 0.27 0.14 -0.33 0.00 0.00 177.00 176.61 3k72 s VAL 599 N 2.50 3.91 0.03 3.83 -7.23 -1.26 -1.11 120.40 121.07 3k72 s VAL 599 Ca 0.81 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 3k72 s VAL 599 Cb -0.47 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 32.88 3k72 s VAL 599 CO 0.36 -0.66 0.12 -1.48 -0.31 0.00 0.00 175.10 173.13 3k72 s LEU 600 N 1.31 4.03 0.15 1.32 0.05 -0.90 -4.86 118.68 119.78 3k72 s LEU 600 Ca 0.05 0.16 0.06 0.00 0.05 0.00 0.00 54.13 54.45 3k72 s LEU 600 Cb -0.24 -2.51 -0.04 0.00 -2.05 0.00 0.00 46.19 41.35 3k72 s LEU 600 CO -0.01 0.22 -0.13 -1.66 -0.55 0.00 0.00 176.35 174.23 3k72 s TRP 601 N -1.32 1.44 0.08 3.48 -2.14 -1.26 -4.23 118.94 114.97 3k72 s TRP 601 Ca 0.27 -0.63 0.07 0.00 2.66 0.00 0.00 56.10 58.47 3k72 s TRP 601 Cb -0.12 -0.72 -0.03 0.00 -3.10 0.00 0.00 33.47 29.50 3k72 s TRP 601 CO 0.19 0.18 -0.18 0.54 -2.66 0.00 0.00 176.95 175.03 3k72 s VAL 602 N -2.80 1.43 0.08 -0.66 0.11 -1.26 -4.05 120.40 113.25 3k72 s VAL 602 Ca 0.15 -1.34 0.03 0.00 -2.93 0.00 0.00 61.98 57.89 3k72 s VAL 602 Cb -0.01 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.49 3k72 s VAL 602 CO 0.03 -0.07 0.11 -0.83 -3.33 0.00 0.00 175.10 171.02 3k72 s GLY 603 N -1.64 2.03 0.05 6.54 0.00 -0.30 -4.99 107.32 109.02 3k72 s GLY 603 Ca 0.03 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 43.80 3k72 s GLY 603 CO 0.03 -0.97 -0.11 0.54 0.00 0.00 0.00 173.10 172.59 3k72 s VAL 604 N -1.44 0.81 -0.04 1.40 0.11 -1.26 -2.30 120.40 117.67 3k72 s VAL 604 Ca 0.31 -1.16 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 3k72 s VAL 604 Cb -0.12 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 3k72 s VAL 604 CO 0.23 -0.29 -0.13 -0.94 -3.33 0.00 0.00 175.10 170.64 3k72 s SER 605 N -1.61 1.75 -0.01 3.54 1.04 -1.07 -5.01 113.70 112.32 3k72 s SER 605 Ca -0.06 -0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.15 3k72 s SER 605 Cb -0.10 -0.51 -0.01 0.00 0.10 0.00 0.00 66.02 65.50 3k72 s SER 605 CO 0.01 0.11 -0.18 -0.04 0.98 0.00 0.00 173.24 174.12 3k72 s MET 606 N 0.17 1.47 0.00 4.02 -1.94 -1.26 -1.85 119.30 119.91 3k72 s MET 606 Ca -0.05 -0.66 -0.25 0.00 -1.71 0.00 0.00 55.69 53.02 3k72 s MET 606 Cb -0.11 -1.42 0.06 0.00 2.01 0.00 0.00 34.83 35.36 3k72 s MET 606 CO 0.02 0.39 0.55 -1.14 -0.01 0.00 0.00 175.02 174.83 3k72 s GLN 607 N -0.46 1.00 -0.37 2.03 0.74 -0.94 -5.00 119.66 116.65 3k72 s GLN 607 Ca 0.07 -0.05 -0.02 0.00 0.05 0.00 0.00 55.36 55.41 3k72 s GLN 607 Cb -0.07 0.46 0.09 0.00 1.10 0.00 0.00 33.01 34.59 3k72 s GLN 607 CO -0.01 -0.34 0.13 -0.06 -0.55 0.00 0.00 175.29 174.47 3k72 s PHE 608 N -1.84 3.50 0.13 1.67 0.08 -1.26 -1.19 117.98 119.07 3k72 s PHE 608 Ca -0.09 -2.28 -0.26 0.00 0.12 0.00 0.00 56.93 54.43 3k72 s PHE 608 Cb -0.01 -2.85 -0.06 0.00 -0.57 0.00 0.00 43.02 39.53 3k72 s PHE 608 CO 0.03 -0.91 1.40 -0.89 -0.10 0.00 0.00 175.22 174.75 3k72 n ILE 609 N 4.58 -0.57 -1.81 0.64 5.41 0.15 -1.86 119.36 125.90 3k72 n ILE 609 Ca -0.05 2.20 -0.38 0.00 1.00 0.00 0.00 62.75 65.51 3k72 n ILE 609 Cb 0.42 -2.73 -0.03 0.00 -0.71 0.00 0.00 39.64 36.59 3k72 n ILE 609 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k72 s PRO 610 N -5.16 2.45 0.00 0.38 0.02 -1.26 -4.88 135.00 126.55 3k72 s PRO 610 Ca -0.10 1.06 0.00 0.00 0.02 0.00 0.00 61.00 61.98 3k72 s PRO 610 Cb 0.09 -4.46 0.00 0.00 0.02 0.00 0.00 34.50 30.15 3k72 s PRO 610 CO 0.52 -2.90 0.85 0.00 -0.33 0.00 0.00 177.00 175.13 3k72 n ALA 611 N 13.96 0.00 -2.79 -1.55 0.00 -0.78 -4.75 120.51 124.60 3k72 n ALA 611 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3k72 n ALA 611 Cb 0.53 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.40 3k72 n ALA 611 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3k72 n GLU 612 N -2.65 3.79 -4.31 0.00 0.28 -1.26 -4.43 120.64 112.06 3k72 n GLU 612 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 3k72 n GLU 612 Cb 0.00 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.75 3k72 n GLU 612 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3k72 s ILE 613 N 1.21 3.93 -2.00 3.84 1.01 -1.12 -4.97 121.20 123.09 3k72 s ILE 613 Ca 0.00 -0.34 0.13 0.00 0.00 0.00 0.00 60.65 60.44 3k72 s ILE 613 Cb 0.00 -2.74 0.37 0.00 0.01 0.00 0.00 42.46 40.10 3k72 s ILE 613 CO 0.00 0.48 1.22 -2.65 0.00 0.00 0.00 174.94 173.99 3k72 n PRO 614 N 3.70 0.58 -0.92 2.79 -0.02 -1.26 -1.74 135.00 138.13 3k72 n PRO 614 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3k72 n PRO 614 Cb 0.52 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3k72 n PRO 614 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3k72 n ARG 615 N -0.85 -0.10 0.29 -0.52 0.63 -1.26 -4.91 116.66 109.95 3k72 n ARG 615 Ca 0.10 0.02 -0.12 0.00 -0.92 0.00 0.00 57.85 56.93 3k72 n ARG 615 Cb 0.04 -3.05 -0.06 0.00 0.45 0.00 0.00 32.46 29.84 3k72 n ARG 615 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 3k72 h SER 616 N 0.00 -0.67 -1.00 6.15 0.02 -1.99 -3.07 113.55 113.00 3k72 h SER 616 Ca 0.00 0.02 -0.49 0.00 -0.84 0.00 0.00 61.79 60.49 3k72 h SER 616 Cb 0.05 0.17 -0.17 0.00 0.14 0.00 0.00 62.40 62.59 3k72 h SER 616 CO 0.00 -0.32 0.39 0.00 -1.14 0.00 0.00 176.83 175.76 3k72 n ALA 617 N -2.63 6.46 -1.64 3.77 0.00 -1.26 -4.66 120.51 120.55 3k72 n ALA 617 Ca -0.10 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.34 3k72 n ALA 617 Cb 0.31 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3k72 n ALA 617 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3k72 n PHE 618 N 1.00 0.00 0.53 0.00 7.35 -1.16 -4.54 117.46 120.64 3k72 n PHE 618 Ca 0.49 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 57.30 3k72 n PHE 618 Cb 0.57 0.00 0.27 0.00 0.35 0.00 0.00 39.48 40.66 3k72 n PHE 618 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3k72 h GLU 619 N 0.00 0.00 0.00 -4.13 5.08 -1.79 -3.28 114.58 110.46 3k72 h GLU 619 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k72 h GLU 619 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3k72 h GLU 619 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3k72 n ARG 621 N 0.00 0.13 -3.23 0.00 0.63 -1.26 -5.02 116.66 107.91 3k72 n ARG 621 Ca 0.00 -0.53 -0.25 0.00 -0.92 0.00 0.00 57.85 56.16 3k72 n ARG 621 Cb 0.00 0.86 -0.07 0.00 0.45 0.00 0.00 32.46 33.70 3k72 n ARG 621 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3k72 n GLU 622 N -0.61 1.00 -3.71 -0.14 1.02 -1.26 -4.95 120.64 112.00 3k72 n GLU 622 Ca 0.03 -3.46 -0.18 0.00 -0.02 0.00 0.00 57.16 53.54 3k72 n GLU 622 Cb 0.38 -1.38 -0.17 0.00 -0.02 0.00 0.00 31.44 30.25 3k72 n GLU 622 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3k72 s GLN 623 N -1.38 -0.05 3.81 3.49 -2.07 -1.26 -5.08 119.66 117.12 3k72 s GLN 623 Ca 0.36 0.33 0.00 0.00 -1.82 0.00 0.00 55.36 54.22 3k72 s GLN 623 Cb 0.17 -0.38 0.00 0.00 -1.09 0.00 0.00 33.01 31.71 3k72 s GLN 623 CO -0.09 -0.26 0.00 0.28 -1.32 0.00 0.00 175.29 173.89 3k72 n VAL 624 N 4.85 0.00 -3.02 3.63 0.31 -1.26 -5.04 118.33 117.79 3k72 n VAL 624 Ca -0.13 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.01 3k72 n VAL 624 Cb 0.50 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.47 3k72 n VAL 624 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3k72 s VAL 625 N 0.00 2.44 -0.40 2.52 -7.23 -1.26 -5.03 120.40 111.43 3k72 s VAL 625 Ca 0.00 -1.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.90 3k72 s VAL 625 Cb 0.00 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.52 3k72 s VAL 625 CO 0.00 0.00 0.99 -0.44 -0.31 0.00 0.00 175.10 175.34 3k72 s SER 626 N -4.56 6.66 -0.61 4.85 0.01 -1.26 -4.92 113.70 113.87 3k72 s SER 626 Ca 0.60 0.52 -0.22 0.00 1.31 0.00 0.00 55.95 58.15 3k72 s SER 626 Cb -0.07 -2.49 0.06 0.00 0.21 0.00 0.00 66.02 63.73 3k72 s SER 626 CO 0.37 -0.98 0.90 -1.61 0.41 0.00 0.00 173.24 172.32 3k72 s GLU 627 N 3.76 3.16 -0.45 12.44 2.02 -1.26 -4.99 118.70 133.38 3k72 s GLU 627 Ca 0.41 -0.74 -0.28 0.00 0.02 0.00 0.00 54.97 54.38 3k72 s GLU 627 Cb -0.11 -4.17 0.03 0.00 0.10 0.00 0.00 34.13 29.98 3k72 s GLU 627 CO 0.23 -1.64 1.06 -0.65 0.02 0.00 0.00 175.26 174.27 3k72 s GLN 628 N 3.75 3.71 0.52 1.61 -0.21 -1.26 -4.21 119.66 123.57 3k72 s GLN 628 Ca 0.22 0.50 -0.21 0.00 0.02 0.00 0.00 55.36 55.89 3k72 s GLN 628 Cb -0.17 -3.89 -0.08 0.00 1.00 0.00 0.00 33.01 29.87 3k72 s GLN 628 CO 0.12 -1.27 0.94 2.41 -2.12 0.00 0.00 175.29 175.36 3k72 n THR 629 N 6.60 2.97 -3.73 -0.19 -1.04 -0.95 -4.70 114.28 113.24 3k72 n THR 629 Ca 0.10 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.24 3k72 n THR 629 Cb 0.49 -1.11 -0.11 0.00 -1.82 0.00 0.00 70.33 67.78 3k72 n THR 629 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3k72 s LEU 630 N -1.07 5.21 0.14 -4.42 2.96 -1.26 -1.69 118.68 118.56 3k72 s LEU 630 Ca 0.69 -1.89 -0.14 0.00 -0.22 0.00 0.00 54.13 52.57 3k72 s LEU 630 Cb -0.48 -1.87 -0.07 0.00 0.50 0.00 0.00 46.19 44.27 3k72 s LEU 630 CO 0.52 -0.55 0.55 -0.69 -1.32 0.00 0.00 176.35 174.86 3k72 s VAL 631 N 1.22 4.86 -0.08 1.68 1.01 -0.82 -4.92 120.40 123.34 3k72 s VAL 631 Ca 0.06 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.89 3k72 s VAL 631 Cb -0.23 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3k72 s VAL 631 CO -0.03 0.26 -0.09 -1.10 0.00 0.00 0.00 175.10 174.15 3k72 s GLN 632 N -1.91 2.90 -0.18 2.72 -0.21 -1.26 -1.03 119.66 120.68 3k72 s GLN 632 Ca 0.37 -0.59 0.00 0.00 0.02 0.00 0.00 55.36 55.17 3k72 s GLN 632 Cb -0.15 -2.60 0.04 0.00 1.00 0.00 0.00 33.01 31.30 3k72 s GLN 632 CO 0.19 0.55 -0.09 0.45 -2.12 0.00 0.00 175.29 174.27 3k72 s SER 633 N -0.51 3.17 -0.24 5.90 0.15 -0.97 -0.68 113.70 120.53 3k72 s SER 633 Ca 0.07 -0.79 -0.08 0.00 0.70 0.00 0.00 55.95 55.86 3k72 s SER 633 Cb -0.12 -1.14 -0.03 0.00 -1.71 0.00 0.00 66.02 63.02 3k72 s SER 633 CO 0.02 -0.15 0.08 0.21 1.20 0.00 0.00 173.24 174.60 3k72 s ASN 634 N 1.47 5.30 0.05 5.45 3.84 -0.34 -0.86 114.94 129.86 3k72 s ASN 634 Ca -0.00 -0.13 0.08 0.00 0.21 0.00 0.00 52.86 53.02 3k72 s ASN 634 Cb -0.16 -1.95 -0.03 0.00 -0.55 0.00 0.00 41.25 38.57 3k72 s ASN 634 CO -0.08 0.01 -0.21 -0.63 -2.79 0.00 0.00 177.10 173.39 3k72 s ILE 635 N 1.36 2.56 0.05 -5.21 1.01 -0.95 -2.21 121.20 117.81 3k72 s ILE 635 Ca 0.05 -1.28 0.04 0.00 0.00 0.00 0.00 60.65 59.46 3k72 s ILE 635 Cb -0.15 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 3k72 s ILE 635 CO 0.04 0.33 -0.13 0.00 0.00 0.00 0.00 174.94 175.18 3k72 s LEU 637 N -1.38 0.87 -0.09 0.00 1.43 -0.88 -2.61 118.68 116.02 3k72 s LEU 637 Ca -0.01 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 52.97 3k72 s LEU 637 Cb -0.09 -0.29 0.02 0.00 0.03 0.00 0.00 46.19 45.86 3k72 s LEU 637 CO 0.01 -0.14 0.24 -0.72 0.23 0.00 0.00 176.35 175.97 3k72 s TYR 638 N 1.44 -0.26 -0.09 0.29 -0.85 -0.97 -1.31 117.35 115.60 3k72 s TYR 638 Ca -0.04 0.64 -0.02 0.00 -0.52 0.00 0.00 57.07 57.14 3k72 s TYR 638 Cb -0.13 0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.26 3k72 s TYR 638 CO -0.03 -0.13 -0.00 0.96 -1.52 0.00 0.00 175.55 174.83 3k72 s ILE 639 N 0.22 4.27 0.00 -3.49 -4.36 -1.21 -1.15 121.20 115.49 3k72 s ILE 639 Ca -0.01 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.12 3k72 s ILE 639 Cb -0.02 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.90 3k72 s ILE 639 CO -0.00 0.60 0.00 -0.90 0.24 0.00 0.00 174.94 174.88 3k72 n ASP 640 N 2.17 2.81 -4.41 4.36 5.75 -1.26 -4.53 116.55 121.45 3k72 n ASP 640 Ca -0.19 0.00 -0.44 0.00 -0.01 0.00 0.00 54.79 54.15 3k72 n ASP 640 Cb 0.54 0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 40.77 3k72 n ASP 640 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3k72 s LYS 641 N -1.60 3.03 0.00 0.11 2.20 -1.26 -4.83 119.74 117.39 3k72 s LYS 641 Ca 0.00 -1.20 0.00 0.00 -0.36 0.00 0.00 55.97 54.41 3k72 s LYS 641 Cb 0.00 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.19 3k72 s LYS 641 CO 0.00 -1.11 0.02 2.89 -0.36 0.00 0.00 175.35 176.79 3k72 n ARG 642 N 5.55 0.26 -0.23 4.03 1.85 -1.26 -4.62 116.66 122.23 3k72 n ARG 642 Ca -0.10 -0.02 0.03 0.00 -1.00 0.00 0.00 57.85 56.76 3k72 n ARG 642 Cb 0.44 -0.28 0.16 0.00 -1.05 0.00 0.00 32.46 31.73 3k72 n ARG 642 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3k72 h SER 643 N 0.00 0.16 0.08 2.89 4.64 -1.92 -2.11 113.55 117.30 3k72 h SER 643 Ca 0.00 0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3k72 h SER 643 Cb 0.22 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3k72 h SER 643 CO 0.00 0.06 -0.04 0.07 -0.87 0.00 0.00 176.83 176.05 3k72 h LYS 644 N 0.37 -0.11 0.00 4.77 2.10 -1.93 -3.25 116.57 118.53 3k72 h LYS 644 Ca 0.38 0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 59.03 3k72 h LYS 644 Cb 0.57 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.92 3k72 h LYS 644 CO -0.41 0.30 -0.03 -0.91 -2.00 0.00 0.00 179.45 176.40 3k72 h ASN 645 N -0.54 0.00 -3.54 7.07 2.35 -1.79 -3.48 115.58 115.65 3k72 h ASN 645 Ca -0.01 0.00 0.32 0.00 -0.55 0.00 0.00 56.30 56.06 3k72 h ASN 645 Cb 0.45 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.70 3k72 h ASN 645 CO 0.02 0.03 -0.77 0.18 -1.65 0.00 0.00 177.43 175.24 3k72 n LEU 646 N -3.15 -0.75 -4.33 1.61 4.77 -0.88 -4.81 117.00 109.46 3k72 n LEU 646 Ca 0.00 1.72 -0.29 0.00 -0.03 0.00 0.00 56.01 57.41 3k72 n LEU 646 Cb 0.32 -4.00 0.27 0.00 -2.33 0.00 0.00 43.42 37.68 3k72 n LEU 646 CO 0.28 -2.60 0.35 0.18 -1.33 0.00 0.00 177.39 174.27 3k72 n LEU 647 N -4.05 -1.29 0.00 2.23 4.77 -1.26 -4.60 117.00 112.80 3k72 n LEU 647 Ca -0.03 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3k72 n LEU 647 Cb 0.58 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 3k72 n LEU 647 CO 0.02 -3.88 0.00 0.61 -1.33 0.00 0.00 177.39 172.82 3k72 n GLY 648 N 1.53 -0.73 1.72 -0.72 0.00 -1.26 -4.80 105.19 100.93 3k72 n GLY 648 Ca 0.07 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 3k72 n GLY 648 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k72 n SER 649 N -0.97 -1.38 0.00 1.61 7.64 -1.26 -2.09 113.62 117.18 3k72 n SER 649 Ca 0.00 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.32 3k72 n SER 649 Cb 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 3k72 n SER 649 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3k72 n ARG 650 N 0.67 0.00 0.34 1.43 0.63 -1.26 -4.45 116.66 114.01 3k72 n ARG 650 Ca 0.06 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.18 3k72 n ARG 650 Cb 0.20 0.00 1.00 0.00 0.45 0.00 0.00 32.46 34.11 3k72 n ARG 650 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3k72 h ASP 651 N 0.00 0.00 0.00 6.15 3.58 -1.67 -3.35 116.42 121.13 3k72 h ASP 651 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3k72 h ASP 651 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3k72 h ASP 651 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 3k72 n LEU 652 N -2.97 0.00 -4.62 2.28 4.32 -1.22 -4.50 117.00 110.28 3k72 n LEU 652 Ca -0.02 0.00 -0.57 0.00 -0.02 0.00 0.00 56.01 55.40 3k72 n LEU 652 Cb 0.24 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.97 3k72 n LEU 652 CO 0.16 0.00 0.97 1.67 -1.22 0.00 0.00 177.39 178.98 3k72 n GLN 653 N 0.00 0.77 -3.63 3.23 7.27 -1.26 -4.54 117.38 119.22 3k72 n GLN 653 Ca 0.00 0.28 -0.15 0.00 0.07 0.00 0.00 57.00 57.20 3k72 n GLN 653 Cb 0.00 -1.89 -0.07 0.00 2.41 0.00 0.00 30.24 30.69 3k72 n GLN 653 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3k72 s SER 654 N 1.49 -0.54 0.23 1.69 1.04 -1.24 -4.54 113.70 111.82 3k72 s SER 654 Ca 0.92 0.77 -0.02 0.00 0.48 0.00 0.00 55.95 58.10 3k72 s SER 654 Cb -1.12 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 3k72 s SER 654 CO 0.58 -0.41 0.44 -0.44 0.98 0.00 0.00 173.24 174.39 3k72 s SER 655 N -0.62 6.40 -0.01 7.02 0.01 -1.26 -0.92 113.70 124.32 3k72 s SER 655 Ca -0.07 0.48 -0.06 0.00 1.31 0.00 0.00 55.95 57.61 3k72 s SER 655 Cb -0.03 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.16 3k72 s SER 655 CO 0.05 -0.09 0.12 -0.69 0.41 0.00 0.00 173.24 173.05 3k72 s VAL 656 N -1.93 0.07 -0.24 3.43 1.01 -1.04 -3.21 120.40 118.50 3k72 s VAL 656 Ca 0.40 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 3k72 s VAL 656 Cb -0.11 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 3k72 s VAL 656 CO 0.29 -0.32 0.15 0.42 0.00 0.00 0.00 175.10 175.64 3k72 s THR 657 N -1.13 5.33 -0.06 3.92 -4.23 -1.26 -2.09 115.64 116.13 3k72 s THR 657 Ca -0.12 0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 60.55 3k72 s THR 657 Cb -0.07 -3.48 -0.03 0.00 1.34 0.00 0.00 72.50 70.26 3k72 s THR 657 CO 0.01 0.36 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.68 3k72 s LEU 658 N 1.00 3.53 -0.35 4.79 1.43 -1.07 -2.84 118.68 125.17 3k72 s LEU 658 Ca 0.07 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3k72 s LEU 658 Cb -0.13 -1.88 0.14 0.00 0.03 0.00 0.00 46.19 44.34 3k72 s LEU 658 CO 0.04 0.34 0.20 -1.81 0.23 0.00 0.00 176.35 175.36 3k72 s ASP 659 N -1.11 3.01 0.15 2.29 1.01 -0.01 -3.01 116.67 119.00 3k72 s ASP 659 Ca 0.15 -2.12 -0.21 0.00 0.71 0.00 0.00 52.55 51.09 3k72 s ASP 659 Cb -0.11 -0.40 -0.08 0.00 1.01 0.00 0.00 42.92 43.35 3k72 s ASP 659 CO 0.05 -0.32 0.68 -0.76 0.21 0.00 0.00 175.17 175.03 3k72 s LEU 660 N 1.15 4.49 -0.16 1.23 1.43 -0.87 -1.37 118.68 124.57 3k72 s LEU 660 Ca 0.17 1.42 -0.10 0.00 -1.03 0.00 0.00 54.13 54.59 3k72 s LEU 660 Cb -0.22 -3.23 0.05 0.00 0.03 0.00 0.00 46.19 42.81 3k72 s LEU 660 CO -0.02 0.18 0.40 0.00 0.23 0.00 0.00 176.35 177.14 3k72 s ALA 661 N -1.26 -1.00 0.01 4.21 0.00 -0.90 -1.84 121.76 120.99 3k72 s ALA 661 Ca 0.35 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.72 3k72 s ALA 661 Cb -0.20 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 3k72 s ALA 661 CO 0.22 -0.24 0.08 -0.51 0.00 0.00 0.00 175.76 175.31 3k72 s LEU 662 N 1.13 3.89 -0.87 0.00 1.02 -1.03 -2.72 118.68 120.09 3k72 s LEU 662 Ca -0.07 0.13 -0.23 0.00 0.02 0.00 0.00 54.13 53.97 3k72 s LEU 662 Cb -0.07 -2.31 0.03 0.00 0.02 0.00 0.00 46.19 43.86 3k72 s LEU 662 CO -0.10 0.26 0.50 0.47 0.02 0.00 0.00 176.35 177.50 3k72 n ASP 663 N 1.08 -3.11 0.01 2.29 9.92 -0.88 -4.76 116.55 121.11 3k72 n ASP 663 Ca -0.12 -0.95 -0.12 0.00 -0.53 0.00 0.00 54.79 53.06 3k72 n ASP 663 Cb 0.52 -1.18 -0.08 0.00 -0.64 0.00 0.00 41.12 39.75 3k72 n ASP 663 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 3k72 h PRO 664 N -1.04 0.01 0.00 -0.24 0.11 -1.86 -3.15 132.00 125.82 3k72 h PRO 664 Ca -0.53 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3k72 h PRO 664 Cb 1.05 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3k72 h PRO 664 CO 0.37 0.24 0.00 0.78 -0.21 0.00 0.00 178.00 179.18 3k72 h GLY 665 N -0.22 0.00 -4.74 -0.55 0.00 -1.99 -3.42 103.07 92.15 3k72 h GLY 665 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.68 3k72 h GLY 665 CO 0.00 0.00 -0.64 1.09 0.00 0.00 0.00 176.54 176.99 3k72 s ARG 666 N -3.92 2.74 -0.24 4.80 1.70 -1.19 -4.99 118.95 117.85 3k72 s ARG 666 Ca -0.03 -0.68 0.00 0.00 -0.47 0.00 0.00 55.73 54.55 3k72 s ARG 666 Cb 0.11 -2.65 0.22 0.00 -0.57 0.00 0.00 34.95 32.06 3k72 s ARG 666 CO 0.39 0.59 1.77 1.28 -1.08 0.00 0.00 175.30 178.25 3k72 n LEU 667 N 1.01 5.63 -3.30 -1.89 4.77 -1.26 -4.38 117.00 117.58 3k72 n LEU 667 Ca -0.12 -2.87 -0.25 0.00 -0.03 0.00 0.00 56.01 52.73 3k72 n LEU 667 Cb 0.52 -0.90 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 3k72 n LEU 667 CO 0.37 1.01 -0.29 -1.54 -1.33 0.00 0.00 177.39 175.61 3k72 n SER 668 N 0.23 -0.45 -4.59 -1.43 3.41 -1.26 -5.10 113.62 104.43 3k72 n SER 668 Ca 0.26 -2.49 -0.52 0.00 -0.26 0.00 0.00 58.87 55.85 3k72 n SER 668 Cb 0.73 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 3k72 n SER 668 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3k72 n PRO 669 N 2.43 1.36 -0.00 4.33 -0.02 -1.26 -4.84 135.00 137.00 3k72 n PRO 669 Ca 0.27 0.45 0.14 0.00 -2.02 0.00 0.00 63.50 62.34 3k72 n PRO 669 Cb 0.50 -2.39 0.82 0.00 -0.02 0.00 0.00 33.50 32.42 3k72 n PRO 669 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3k72 n ARG 670 N 6.92 1.01 -2.67 -0.52 3.00 -1.26 -4.92 116.66 118.22 3k72 n ARG 670 Ca 0.32 -0.02 0.01 0.00 -0.00 0.00 0.00 57.85 58.16 3k72 n ARG 670 Cb 0.21 -1.44 0.01 0.00 0.00 0.00 0.00 32.46 31.24 3k72 n ARG 670 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3k72 n ALA 671 N -0.92 -1.42 -3.37 5.13 0.00 -1.26 -4.60 120.51 114.08 3k72 n ALA 671 Ca 0.21 -0.35 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 3k72 n ALA 671 Cb 0.10 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 3k72 n ALA 671 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k72 s THR 672 N -2.15 0.02 0.37 0.00 -4.23 -1.22 -4.47 115.64 103.96 3k72 s THR 672 Ca 0.12 -0.17 -0.19 0.00 -1.18 0.00 0.00 61.69 60.27 3k72 s THR 672 Cb -0.00 -0.97 -0.10 0.00 1.34 0.00 0.00 72.50 72.77 3k72 s THR 672 CO 0.00 -0.09 0.86 -0.36 -0.54 0.00 0.00 174.62 174.49 3k72 s PHE 673 N -2.22 3.38 -0.02 3.99 0.40 -0.31 -1.33 117.98 121.86 3k72 s PHE 673 Ca -0.06 1.46 -0.18 0.00 -0.60 0.00 0.00 56.93 57.55 3k72 s PHE 673 Cb -0.01 -2.72 -0.33 0.00 0.51 0.00 0.00 43.02 40.47 3k72 s PHE 673 CO 0.00 0.01 0.90 0.37 0.70 0.00 0.00 175.22 177.20 3k72 h GLN 674 N 2.21 0.42 -0.96 0.44 4.15 -1.66 0.24 115.11 119.95 3k72 h GLN 674 Ca -0.48 -0.71 0.22 0.00 0.77 0.00 0.00 58.65 58.45 3k72 h GLN 674 Cb 1.18 0.26 -0.08 0.00 0.21 0.00 0.00 27.48 29.06 3k72 h GLN 674 CO 0.63 1.34 0.62 1.49 -1.93 0.00 0.00 178.83 180.99 3k72 h GLU 675 N -0.09 0.42 0.00 1.69 4.57 -1.95 -2.98 114.58 116.25 3k72 h GLU 675 Ca -0.22 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3k72 h GLU 675 Cb 1.93 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 30.42 3k72 h GLU 675 CO 0.20 0.28 -1.04 -2.37 -1.18 0.00 0.00 179.01 174.91 3k72 n THR 676 N -4.56 0.01 0.00 0.32 5.66 -1.25 -5.01 114.28 109.45 3k72 n THR 676 Ca 0.21 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 3k72 n THR 676 Cb 0.74 0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 3k72 n THR 676 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3k72 n LYS 677 N -1.58 0.00 -1.85 1.09 4.81 0.85 -5.00 118.16 116.48 3k72 n LYS 677 Ca -0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.14 3k72 n LYS 677 Cb 0.07 -1.39 0.14 0.00 0.02 0.00 0.00 35.03 33.87 3k72 n LYS 677 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3k72 s ASN 678 N -3.55 3.72 0.00 3.14 -0.87 -1.25 -4.65 114.94 111.47 3k72 s ASN 678 Ca 0.00 0.58 0.30 0.00 -1.57 0.00 0.00 52.86 52.17 3k72 s ASN 678 Cb 0.00 -0.89 1.67 0.00 -0.02 0.00 0.00 41.25 42.01 3k72 s ASN 678 CO 0.00 -2.38 2.09 -2.11 -2.57 0.00 0.00 177.10 172.12 3k72 n ARG 679 N -3.59 0.73 -4.04 -0.60 -4.01 -1.26 -1.16 116.66 102.72 3k72 n ARG 679 Ca 0.11 0.01 -0.10 0.00 -1.04 0.00 0.00 57.85 56.83 3k72 n ARG 679 Cb 0.60 -1.50 -0.06 0.00 -3.04 0.00 0.00 32.46 28.46 3k72 n ARG 679 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 3k72 s SER 680 N -2.23 -0.04 0.16 2.89 1.04 -1.26 -2.48 113.70 111.78 3k72 s SER 680 Ca 0.38 -1.03 -0.21 0.00 0.48 0.00 0.00 55.95 55.58 3k72 s SER 680 Cb 0.20 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.92 3k72 s SER 680 CO 0.39 -1.08 0.55 -1.48 0.98 0.00 0.00 173.24 172.59 3k72 s LEU 681 N -3.05 -0.25 0.00 2.42 0.05 -0.76 -4.79 118.68 112.30 3k72 s LEU 681 Ca 0.26 -0.15 0.00 0.00 0.05 0.00 0.00 54.13 54.29 3k72 s LEU 681 Cb 0.01 2.37 -0.00 0.00 -2.05 0.00 0.00 46.19 46.51 3k72 s LEU 681 CO 0.10 -0.96 -0.01 -0.55 -0.55 0.00 0.00 176.35 174.37 3k72 s SER 682 N -2.78 0.13 -0.17 1.48 0.15 -1.26 -2.06 113.70 109.19 3k72 s SER 682 Ca 0.03 -0.09 -0.13 0.00 0.70 0.00 0.00 55.95 56.45 3k72 s SER 682 Cb -0.00 0.00 0.05 0.00 -1.71 0.00 0.00 66.02 64.36 3k72 s SER 682 CO -0.11 -0.03 0.45 -0.13 1.20 0.00 0.00 173.24 174.61 3k72 s ARG 683 N -0.24 0.49 -0.30 5.44 0.52 -1.16 -4.99 118.95 118.70 3k72 s ARG 683 Ca -0.02 0.71 -0.17 0.00 -0.52 0.00 0.00 55.73 55.72 3k72 s ARG 683 Cb -0.02 0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.59 3k72 s ARG 683 CO -0.00 -0.10 0.49 0.08 0.02 0.00 0.00 175.30 175.79 3k72 s VAL 684 N 0.70 5.06 0.09 3.52 1.01 -1.26 -2.59 120.40 126.93 3k72 s VAL 684 Ca -0.04 0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.55 3k72 s VAL 684 Cb -0.05 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3k72 s VAL 684 CO -0.05 -0.05 -0.10 -0.13 0.00 0.00 0.00 175.10 174.78 3k72 s ARG 685 N 2.31 0.82 -0.10 2.72 0.52 -0.89 -4.91 118.95 119.42 3k72 s ARG 685 Ca 0.19 -1.13 -0.26 0.00 -0.52 0.00 0.00 55.73 54.01 3k72 s ARG 685 Cb -0.16 -0.51 -0.02 0.00 0.52 0.00 0.00 34.95 34.78 3k72 s ARG 685 CO 0.11 0.08 0.85 0.54 0.02 0.00 0.00 175.30 176.90 3k72 s VAL 686 N -2.37 4.91 0.51 3.52 0.11 -1.26 -2.48 120.40 123.34 3k72 s VAL 686 Ca 0.04 1.73 0.04 0.00 -2.93 0.00 0.00 61.98 60.86 3k72 s VAL 686 Cb -0.03 -4.17 0.03 0.00 -1.53 0.00 0.00 36.38 30.67 3k72 s VAL 686 CO -0.00 0.11 0.72 -0.76 -3.33 0.00 0.00 175.10 171.83 3k72 s LEU 687 N 1.56 3.38 0.35 2.54 1.43 -0.10 -4.94 118.68 122.90 3k72 s LEU 687 Ca 0.42 -0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 3k72 s LEU 687 Cb -0.18 -2.72 0.04 0.00 0.03 0.00 0.00 46.19 43.36 3k72 s LEU 687 CO 0.18 -1.05 0.75 -0.83 0.23 0.00 0.00 176.35 175.63 3k72 s GLY 688 N -4.42 0.23 0.58 -3.19 0.00 -1.26 -3.73 107.32 95.52 3k72 s GLY 688 Ca 0.57 -0.61 0.36 0.00 0.00 0.00 0.00 44.72 45.04 3k72 s GLY 688 CO 0.37 -0.25 2.11 0.17 0.00 0.00 0.00 173.10 175.50 3k72 h LEU 689 N 2.01 0.00 -9.38 0.66 8.10 -1.79 -3.19 115.31 111.71 3k72 h LEU 689 Ca -0.27 0.00 -0.59 0.00 0.11 0.00 0.00 57.88 57.13 3k72 h LEU 689 Cb 1.25 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 41.39 3k72 h LEU 689 CO 0.34 0.03 -0.21 -0.75 -4.11 0.00 0.00 178.44 173.73 3k72 s LYS 690 N -3.89 4.24 0.95 0.17 2.47 -1.26 -4.12 119.74 118.30 3k72 s LYS 690 Ca -0.01 0.32 -0.16 0.00 -1.56 0.00 0.00 55.97 54.56 3k72 s LYS 690 Cb 0.11 -3.40 -0.10 0.00 -1.46 0.00 0.00 37.83 32.98 3k72 s LYS 690 CO 0.51 0.27 -0.43 0.00 0.16 0.00 0.00 175.35 175.86 3k72 n ALA 691 N 3.34 -4.53 -3.64 3.13 0.00 -1.26 -4.83 120.51 112.72 3k72 n ALA 691 Ca -0.10 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.43 3k72 n ALA 691 Cb 0.52 -1.34 -0.15 0.00 0.00 0.00 0.00 19.45 18.48 3k72 n ALA 691 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3k72 s HIS 692 N -2.09 1.00 -0.21 0.00 2.46 -0.42 -4.85 115.29 111.18 3k72 s HIS 692 Ca 0.46 -1.28 -0.08 0.00 0.47 0.00 0.00 55.06 54.63 3k72 s HIS 692 Cb -0.21 -1.29 -0.04 0.00 -0.13 0.00 0.00 32.58 30.91 3k72 s HIS 692 CO 0.77 -0.84 0.07 0.00 -2.47 0.00 0.00 174.74 172.27 3k72 s GLU 694 N 0.84 0.58 -0.11 0.00 2.12 -0.55 -4.99 118.70 116.59 3k72 s GLU 694 Ca 0.04 -0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.24 3k72 s GLU 694 Cb -0.14 -0.62 -0.04 0.00 0.26 0.00 0.00 34.13 33.60 3k72 s GLU 694 CO 0.02 -0.03 0.06 0.54 -0.54 0.00 0.00 175.26 175.31 3k72 s ASN 695 N 0.62 5.69 0.25 -1.70 2.20 -1.26 -2.23 114.94 118.51 3k72 s ASN 695 Ca -0.07 0.25 0.10 0.00 -0.94 0.00 0.00 52.86 52.20 3k72 s ASN 695 Cb -0.11 -1.74 -0.04 0.00 -2.00 0.00 0.00 41.25 37.36 3k72 s ASN 695 CO -0.00 0.37 -0.08 -0.36 -2.94 0.00 0.00 177.10 174.08 3k72 s PHE 696 N -0.80 2.56 -0.10 1.54 0.40 -0.04 -4.92 117.98 116.62 3k72 s PHE 696 Ca 0.13 -0.26 -0.15 0.00 -0.60 0.00 0.00 56.93 56.05 3k72 s PHE 696 Cb -0.12 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.21 3k72 s PHE 696 CO 0.03 0.62 0.38 -0.80 0.70 0.00 0.00 175.22 176.15 3k72 s ASN 697 N -3.43 6.63 0.05 1.36 0.01 -1.26 -2.29 114.94 116.01 3k72 s ASN 697 Ca 0.29 0.75 0.08 0.00 -0.71 0.00 0.00 52.86 53.27 3k72 s ASN 697 Cb -0.07 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 3k72 s ASN 697 CO 0.17 0.15 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.92 3k72 s LEU 698 N -0.01 2.17 -0.27 0.60 1.02 -0.20 -1.73 118.68 120.27 3k72 s LEU 698 Ca 0.22 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.84 3k72 s LEU 698 Cb -0.15 -1.09 0.07 0.00 0.02 0.00 0.00 46.19 45.04 3k72 s LEU 698 CO 0.09 0.20 -0.05 -0.76 0.02 0.00 0.00 176.35 175.85 3k72 s LEU 699 N -1.22 3.38 -0.25 1.79 1.02 -0.45 -1.94 118.68 121.01 3k72 s LEU 699 Ca 0.09 -1.50 -0.18 0.00 0.02 0.00 0.00 54.13 52.56 3k72 s LEU 699 Cb -0.09 -1.41 -0.03 0.00 0.02 0.00 0.00 46.19 44.68 3k72 s LEU 699 CO 0.02 -0.26 0.54 -0.76 0.02 0.00 0.00 176.35 175.91 3k72 s LEU 700 N 1.18 4.07 0.34 1.79 1.43 -0.68 -3.44 118.68 123.37 3k72 s LEU 700 Ca -0.03 0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 53.37 3k72 s LEU 700 Cb -0.19 -2.71 -0.11 0.00 0.03 0.00 0.00 46.19 43.21 3k72 s LEU 700 CO -0.07 -0.28 1.53 -2.16 0.23 0.00 0.00 176.35 175.60 3k72 s PRO 701 N 2.20 4.12 0.27 1.29 0.04 -1.26 -2.24 135.00 139.42 3k72 s PRO 701 Ca 0.23 2.57 -0.00 0.00 0.04 0.00 0.00 61.00 63.84 3k72 s PRO 701 Cb -0.16 -2.99 0.60 0.00 0.04 0.00 0.00 34.50 31.99 3k72 s PRO 701 CO 0.09 -0.58 1.70 0.66 0.04 0.00 0.00 177.00 178.91 3k72 h SER 702 N 3.84 0.24 -3.26 6.66 4.64 -1.80 -3.40 113.55 120.48 3k72 h SER 702 Ca -0.49 0.14 -0.63 0.00 -0.47 0.00 0.00 61.79 60.34 3k72 h SER 702 Cb 1.23 0.14 -0.16 0.00 -0.31 0.00 0.00 62.40 63.30 3k72 h SER 702 CO 0.71 0.02 -0.59 0.00 -0.87 0.00 0.00 176.83 176.10 3k72 s VAL 704 N 0.09 0.04 0.00 0.00 1.01 -1.23 -5.06 120.40 115.24 3k72 s VAL 704 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3k72 s VAL 704 Cb -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3k72 s VAL 704 CO 0.01 -0.18 0.09 -0.62 0.00 0.00 0.00 175.10 174.40 3k72 n GLU 705 N 1.62 0.00 -2.43 2.72 1.02 -1.26 -4.83 120.64 117.49 3k72 n GLU 705 Ca -0.19 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.62 3k72 n GLU 705 Cb 0.56 -0.67 -0.03 0.00 -0.02 0.00 0.00 31.44 31.29 3k72 n GLU 705 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k72 s ASP 706 N -1.46 7.04 0.00 1.62 -1.08 -1.26 -4.86 116.67 116.67 3k72 s ASP 706 Ca 0.00 1.89 0.00 0.00 -0.52 0.00 0.00 52.55 53.92 3k72 s ASP 706 Cb 0.00 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 3k72 s ASP 706 CO 0.00 -0.57 0.00 -1.54 0.52 0.00 0.00 175.17 173.58 3k72 n SER 707 N 4.94 3.31 -0.17 -0.34 3.41 -1.26 -4.80 113.62 118.71 3k72 n SER 707 Ca 0.11 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.67 3k72 n SER 707 Cb 0.46 0.51 0.05 0.00 -0.26 0.00 0.00 64.21 64.97 3k72 n SER 707 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3k72 h VAL 708 N 0.00 1.00 -3.48 -3.33 -1.51 -1.97 -3.40 116.25 103.56 3k72 h VAL 708 Ca 0.00 -0.19 -0.57 0.00 -1.23 0.00 0.00 66.70 64.71 3k72 h VAL 708 Cb 0.31 0.39 -0.09 0.00 -2.13 0.00 0.00 31.29 29.77 3k72 h VAL 708 CO 0.00 0.10 0.83 0.42 -1.23 0.00 0.00 177.57 177.69 3k72 s THR 709 N -6.13 4.22 0.60 7.19 -4.23 -1.26 -4.83 115.64 111.21 3k72 s THR 709 Ca -0.13 0.90 -0.18 0.00 -1.18 0.00 0.00 61.69 61.11 3k72 s THR 709 Cb 0.14 -4.60 -0.12 0.00 1.34 0.00 0.00 72.50 69.26 3k72 s THR 709 CO 0.74 -1.09 0.08 -2.65 -0.54 0.00 0.00 174.62 171.15 3k72 n PRO 710 N 7.84 0.18 -2.95 3.99 -0.02 -1.26 -4.90 135.00 137.89 3k72 n PRO 710 Ca 0.08 0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 3k72 n PRO 710 Cb 0.49 -1.31 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 3k72 n PRO 710 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3k72 s ILE 711 N -1.91 4.98 0.29 4.25 -4.36 -0.64 -4.80 121.20 119.00 3k72 s ILE 711 Ca 0.60 1.61 -0.16 0.00 -0.26 0.00 0.00 60.65 62.44 3k72 s ILE 711 Cb -0.43 -4.12 -0.09 0.00 1.25 0.00 0.00 42.46 39.08 3k72 s ILE 711 CO 0.63 0.19 0.71 0.42 0.24 0.00 0.00 174.94 177.14 3k72 s THR 712 N 1.10 4.68 -0.19 8.37 -4.23 -1.26 -1.98 115.64 122.13 3k72 s THR 712 Ca 0.41 0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 61.86 3k72 s THR 712 Cb -0.18 -3.67 0.07 0.00 1.34 0.00 0.00 72.50 70.05 3k72 s THR 712 CO 0.19 -0.07 0.12 -0.22 -0.54 0.00 0.00 174.62 174.10 3k72 s LEU 713 N -2.69 0.27 0.20 4.79 0.20 -0.79 -2.06 118.68 118.60 3k72 s LEU 713 Ca 0.50 -0.61 0.08 0.00 0.69 0.00 0.00 54.13 54.80 3k72 s LEU 713 Cb -0.12 -0.13 -0.04 0.00 -0.43 0.00 0.00 46.19 45.47 3k72 s LEU 713 CO 0.19 -0.36 -0.04 0.00 -0.29 0.00 0.00 176.35 175.85 3k72 s ARG 714 N 2.17 2.25 -0.04 1.98 1.04 -1.10 -1.76 118.95 123.49 3k72 s ARG 714 Ca 0.04 -1.23 0.06 0.00 -1.04 0.00 0.00 55.73 53.56 3k72 s ARG 714 Cb -0.16 -2.24 -0.01 0.00 -2.04 0.00 0.00 34.95 30.50 3k72 s ARG 714 CO -0.13 0.43 -0.24 -0.48 -0.04 0.00 0.00 175.30 174.85 3k72 s LEU 715 N -3.05 2.04 -0.29 -1.89 0.05 -0.94 -2.11 118.68 112.49 3k72 s LEU 715 Ca 0.27 -0.46 -0.11 0.00 0.05 0.00 0.00 54.13 53.88 3k72 s LEU 715 Cb -0.08 -1.26 -0.04 0.00 -2.05 0.00 0.00 46.19 42.75 3k72 s LEU 715 CO 0.18 0.25 0.19 0.21 -0.55 0.00 0.00 176.35 176.63 3k72 s ASN 716 N -0.29 5.95 0.03 1.48 3.84 -0.47 -3.55 114.94 121.93 3k72 s ASN 716 Ca 0.01 -0.14 0.05 0.00 0.21 0.00 0.00 52.86 52.99 3k72 s ASN 716 Cb -0.12 -2.11 -0.02 0.00 -0.55 0.00 0.00 41.25 38.46 3k72 s ASN 716 CO 0.02 -0.10 -0.14 0.72 -2.79 0.00 0.00 177.10 174.81 3k72 s PHE 717 N 1.74 1.19 0.00 0.43 -0.71 -1.25 -0.83 117.98 118.55 3k72 s PHE 717 Ca 0.07 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.62 3k72 s PHE 717 Cb -0.16 -0.71 0.00 0.00 -1.21 0.00 0.00 43.02 40.93 3k72 s PHE 717 CO 0.10 0.02 0.00 0.25 -1.34 0.00 0.00 175.22 174.25 3k72 n THR 718 N 2.03 0.00 -3.69 -4.49 -2.24 -1.13 -4.90 114.28 99.87 3k72 n THR 718 Ca -0.17 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 3k72 n THR 718 Cb 0.55 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.65 3k72 n THR 718 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k72 s LEU 719 N 0.00 2.63 0.40 3.22 1.43 -1.26 -4.02 118.68 121.07 3k72 s LEU 719 Ca 0.00 -2.70 -0.20 0.00 -1.03 0.00 0.00 54.13 50.20 3k72 s LEU 719 Cb 0.00 -0.99 -0.10 0.00 0.03 0.00 0.00 46.19 45.12 3k72 s LEU 719 CO 0.00 -0.25 0.90 0.54 0.23 0.00 0.00 176.35 177.77 3k72 s VAL 720 N 0.27 4.45 0.00 -1.59 0.11 -1.20 -4.49 120.40 117.95 3k72 s VAL 720 Ca 0.19 1.38 0.00 0.00 -2.93 0.00 0.00 61.98 60.62 3k72 s VAL 720 Cb -0.21 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 3k72 s VAL 720 CO -0.02 -0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.10 3k72 n GLY 721 N -0.51 2.15 2.29 6.54 0.00 -1.26 -4.45 105.19 109.96 3k72 n GLY 721 Ca 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3k72 n GLY 721 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k72 n LYS 722 N 0.00 -0.77 -3.31 1.61 5.02 -1.26 -5.01 118.16 114.43 3k72 n LYS 722 Ca 0.00 0.81 -0.39 0.00 -2.02 0.00 0.00 58.31 56.70 3k72 n LYS 722 Cb 0.00 -4.79 -0.08 0.00 -0.02 0.00 0.00 35.03 30.13 3k72 n LYS 722 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3k72 s PRO 723 N -3.25 4.06 -0.32 1.97 0.04 -1.26 -4.72 135.00 131.51 3k72 s PRO 723 Ca 0.00 0.20 -0.02 0.00 0.04 0.00 0.00 61.00 61.22 3k72 s PRO 723 Cb 0.00 -3.64 0.12 0.00 0.04 0.00 0.00 34.50 31.01 3k72 s PRO 723 CO 0.00 -0.30 0.17 -0.51 0.04 0.00 0.00 177.00 176.40 3k72 s LEU 724 N 2.14 0.86 0.00 -3.56 1.43 -1.26 -4.93 118.68 113.36 3k72 s LEU 724 Ca 0.19 -1.72 0.00 0.00 -1.03 0.00 0.00 54.13 51.56 3k72 s LEU 724 Cb -0.16 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.65 3k72 s LEU 724 CO 0.09 -0.38 0.00 -0.11 0.23 0.00 0.00 176.35 176.19 3k72 n LEU 725 N 4.67 0.00 -4.97 1.79 7.94 -1.26 -4.57 117.00 120.61 3k72 n LEU 725 Ca 0.02 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.69 3k72 n LEU 725 Cb 0.40 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.43 3k72 n LEU 725 CO 0.09 0.00 0.53 0.00 -1.11 0.00 0.00 177.39 176.90 3k72 s ALA 726 N -1.00 3.53 -0.30 1.96 0.00 -1.26 -4.97 121.76 119.73 3k72 s ALA 726 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.60 3k72 s ALA 726 Cb 0.00 -2.23 0.27 0.00 0.00 0.00 0.00 23.12 21.16 3k72 s ALA 726 CO 0.00 -1.25 1.80 1.19 0.00 0.00 0.00 175.76 177.50 3k72 n PHE 727 N -2.76 1.61 1.33 0.00 3.72 -1.26 -4.18 117.46 115.92 3k72 n PHE 727 Ca 0.11 -1.70 0.13 0.00 -0.05 0.00 0.00 57.45 55.94 3k72 n PHE 727 Cb 0.60 -0.84 0.41 0.00 -0.94 0.00 0.00 39.48 38.71 3k72 n PHE 727 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3k72 n ARG 728 N 0.03 1.85 -0.04 -1.08 1.74 -1.26 -3.87 116.66 114.03 3k72 n ARG 728 Ca 0.31 -1.24 -0.05 0.00 -0.77 0.00 0.00 57.85 56.11 3k72 n ARG 728 Cb 0.79 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.72 3k72 n ARG 728 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3k72 n ASN 729 N 0.49 3.41 0.00 0.55 6.94 -1.26 -4.84 115.26 120.55 3k72 n ASN 729 Ca 0.18 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.71 3k72 n ASN 729 Cb 0.42 0.16 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 3k72 n ASN 729 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3k72 n LEU 730 N -2.55 0.00 -4.13 -4.53 4.77 -1.25 -4.29 117.00 105.02 3k72 n LEU 730 Ca -0.13 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.52 3k72 n LEU 730 Cb 0.67 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.62 3k72 n LEU 730 CO 0.10 0.00 -0.38 0.00 -1.33 0.00 0.00 177.39 175.78 3k72 s ARG 731 N 0.00 2.29 0.87 3.23 1.70 -1.26 -4.76 118.95 121.03 3k72 s ARG 731 Ca 0.00 -1.35 -0.13 0.00 -0.47 0.00 0.00 55.73 53.78 3k72 s ARG 731 Cb 0.00 -3.10 0.12 0.00 -0.57 0.00 0.00 34.95 31.40 3k72 s ARG 731 CO 0.00 -0.64 1.19 -2.14 -1.08 0.00 0.00 175.30 172.63 3k72 s PRO 732 N 1.18 1.43 0.28 3.89 0.02 -1.26 -4.11 135.00 136.43 3k72 s PRO 732 Ca -0.05 0.06 -0.19 0.00 0.02 0.00 0.00 61.00 60.83 3k72 s PRO 732 Cb -0.20 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.49 3k72 s PRO 732 CO -0.03 -1.95 0.91 0.00 -0.33 0.00 0.00 177.00 175.60 3k72 s MET 733 N -5.56 1.75 0.42 5.54 0.23 -0.27 -4.95 119.30 116.46 3k72 s MET 733 Ca 0.65 -1.12 0.08 0.00 -1.03 0.00 0.00 55.69 54.27 3k72 s MET 733 Cb -0.11 0.49 0.00 0.00 -1.53 0.00 0.00 34.83 33.69 3k72 s MET 733 CO 0.51 -0.82 0.52 -0.51 -2.03 0.00 0.00 175.02 172.70 3k72 s LEU 734 N -3.22 3.60 0.00 0.18 1.43 -1.26 -2.12 118.68 117.29 3k72 s LEU 734 Ca 0.18 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3k72 s LEU 734 Cb -0.04 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.69 3k72 s LEU 734 CO 0.08 -0.73 0.17 0.00 0.23 0.00 0.00 176.35 176.10 3k72 n ALA 735 N -1.78 -0.13 0.01 4.21 0.00 -1.26 -4.89 120.51 116.68 3k72 n ALA 735 Ca 0.07 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 3k72 n ALA 735 Cb 0.60 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 3k72 n ALA 735 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k72 h ALA 736 N -1.40 -0.11 -0.20 0.00 0.00 -2.00 -3.34 119.26 112.21 3k72 h ALA 736 Ca -0.06 -0.27 -0.70 0.00 0.00 0.00 0.00 54.91 53.88 3k72 h ALA 736 Cb 0.17 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3k72 h ALA 736 CO 0.05 -0.24 2.90 -0.25 0.00 0.00 0.00 179.25 181.70 3k72 n ASP 737 N -4.86 4.08 -4.22 0.00 8.00 -1.26 -4.88 116.55 113.41 3k72 n ASP 737 Ca -0.08 -2.85 -0.42 0.00 0.71 0.00 0.00 54.79 52.15 3k72 n ASP 737 Cb 0.29 -1.67 -0.08 0.00 -0.02 0.00 0.00 41.12 39.65 3k72 n ASP 737 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k72 s ALA 738 N 3.52 3.50 -0.99 2.24 0.00 -1.26 -4.96 121.76 123.82 3k72 s ALA 738 Ca 0.49 -2.67 -0.08 0.00 0.00 0.00 0.00 51.96 49.70 3k72 s ALA 738 Cb 0.12 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 3k72 s ALA 738 CO -0.05 -1.97 3.08 1.04 0.00 0.00 0.00 175.76 177.86 3k72 n GLN 739 N 4.74 3.20 0.26 0.00 1.13 -1.26 -4.66 117.38 120.79 3k72 n GLN 739 Ca -0.05 -2.02 0.13 0.00 -1.94 0.00 0.00 57.00 53.12 3k72 n GLN 739 Cb 0.41 -2.48 0.69 0.00 0.11 0.00 0.00 30.24 28.97 3k72 n GLN 739 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k72 h ARG 740 N 4.16 0.00 -4.26 -1.09 3.08 -1.90 -3.28 114.38 111.10 3k72 h ARG 740 Ca 0.60 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.90 3k72 h ARG 740 Cb 0.70 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.52 3k72 h ARG 740 CO 1.19 0.00 0.16 0.71 -1.07 0.00 0.00 179.97 180.96 3k72 s TYR 741 N -3.78 3.40 -0.20 3.04 2.02 -1.25 -3.80 117.35 116.77 3k72 s TYR 741 Ca -0.03 -1.54 -0.05 0.00 -0.37 0.00 0.00 57.07 55.08 3k72 s TYR 741 Cb 0.07 -3.93 -0.02 0.00 -0.40 0.00 0.00 41.96 37.68 3k72 s TYR 741 CO 0.23 -1.14 -0.00 -0.06 -1.57 0.00 0.00 175.55 173.00 3k72 s PHE 742 N 1.38 3.03 -0.00 2.71 0.08 -1.23 -4.93 117.98 119.01 3k72 s PHE 742 Ca 0.16 -0.50 0.08 0.00 0.12 0.00 0.00 56.93 56.79 3k72 s PHE 742 Cb -0.16 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 3k72 s PHE 742 CO -0.04 -0.27 -0.24 0.99 -0.10 0.00 0.00 175.22 175.56 3k72 s THR 743 N 1.05 2.25 0.04 0.64 2.01 -1.26 -2.21 115.64 118.16 3k72 s THR 743 Ca 0.02 -1.14 0.06 0.00 0.31 0.00 0.00 61.69 60.94 3k72 s THR 743 Cb -0.14 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 3k72 s THR 743 CO 0.01 0.51 -0.18 0.00 -0.69 0.00 0.00 174.62 174.27 3k72 s ALA 744 N -0.70 1.56 0.05 7.40 0.00 -0.72 -4.96 121.76 124.39 3k72 s ALA 744 Ca 0.11 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3k72 s ALA 744 Cb -0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3k72 s ALA 744 CO 0.00 0.34 0.16 -1.54 0.00 0.00 0.00 175.76 174.72 3k72 s SER 745 N -1.08 6.07 -0.26 0.00 1.04 -1.26 -1.88 113.70 116.33 3k72 s SER 745 Ca 0.06 0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.70 3k72 s SER 745 Cb -0.08 -1.80 0.07 0.00 0.10 0.00 0.00 66.02 64.30 3k72 s SER 745 CO 0.01 0.19 -0.06 -0.22 0.98 0.00 0.00 173.24 174.15 3k72 s LEU 746 N -2.35 3.11 1.01 2.42 0.20 -0.84 -4.87 118.68 117.36 3k72 s LEU 746 Ca 0.32 -1.38 -0.16 0.00 0.69 0.00 0.00 54.13 53.59 3k72 s LEU 746 Cb -0.13 -1.35 0.21 0.00 -0.43 0.00 0.00 46.19 44.49 3k72 s LEU 746 CO 0.24 -0.24 1.22 -2.84 -0.29 0.00 0.00 176.35 174.44 3k72 s PRO 747 N 1.24 0.30 0.22 0.98 0.02 -1.26 -1.62 135.00 134.89 3k72 s PRO 747 Ca -0.05 -0.17 0.10 0.00 0.02 0.00 0.00 61.00 60.91 3k72 s PRO 747 Cb -0.19 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 3k72 s PRO 747 CO -0.07 -2.68 -0.19 -0.06 -0.33 0.00 0.00 177.00 173.68 3k72 s PHE 748 N -3.53 2.06 -1.03 6.54 0.40 -1.26 -2.81 117.98 118.34 3k72 s PHE 748 Ca 0.71 -0.42 -0.23 0.00 -0.60 0.00 0.00 56.93 56.39 3k72 s PHE 748 Cb -0.08 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.52 3k72 s PHE 748 CO 0.54 0.52 1.64 -2.00 0.70 0.00 0.00 175.22 176.61 3k72 s GLU 749 N -3.27 3.32 0.11 0.44 2.12 -0.71 -4.76 118.70 115.95 3k72 s GLU 749 Ca 0.24 -1.02 -0.34 0.00 0.36 0.00 0.00 54.97 54.21 3k72 s GLU 749 Cb -0.05 -5.30 -0.14 0.00 0.26 0.00 0.00 34.13 28.91 3k72 s GLU 749 CO 0.10 -2.61 1.63 1.17 -0.54 0.00 0.00 175.26 175.02 3k72 n LYS 750 N 8.79 2.12 -1.59 4.30 3.00 -1.26 -4.74 118.16 128.78 3k72 n LYS 750 Ca 0.37 0.77 -0.36 0.00 -0.00 0.00 0.00 58.31 59.09 3k72 n LYS 750 Cb 0.49 -2.55 -0.03 0.00 0.00 0.00 0.00 35.03 32.94 3k72 n LYS 750 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3k72 s ASN 751 N 1.53 4.48 -0.15 3.14 -0.87 -1.26 -4.79 114.94 117.00 3k72 s ASN 751 Ca 0.82 1.02 0.05 0.00 -1.57 0.00 0.00 52.86 53.18 3k72 s ASN 751 Cb -0.69 -2.50 0.37 0.00 -0.02 0.00 0.00 41.25 38.41 3k72 s ASN 751 CO 0.41 -2.86 1.23 0.00 -2.57 0.00 0.00 177.10 173.31 3k72 n GLY 753 N 0.08 2.30 0.00 0.00 0.00 -1.26 -4.72 105.19 101.59 3k72 n GLY 753 Ca 0.19 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 44.20 3k72 n GLY 753 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 n ALA 754 N -1.17 2.10 -3.00 4.61 0.00 -1.26 -4.83 120.51 116.97 3k72 n ALA 754 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3k72 n ALA 754 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3k72 n ALA 754 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k72 n ASP 755 N -1.03 0.00 0.00 0.00 5.68 -1.26 -5.02 116.55 114.93 3k72 n ASP 755 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 3k72 n ASP 755 Cb 0.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 3k72 n ASP 755 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3k72 n HIS 756 N 0.00 0.00 0.00 2.11 -0.00 -1.26 -4.54 115.22 111.53 3k72 n HIS 756 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3k72 n HIS 756 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 29.97 3k72 n HIS 756 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 3k72 n ILE 757 N -2.00 0.00 -2.29 3.57 0.13 -1.26 -4.35 119.36 113.16 3k72 n ILE 757 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.60 3k72 n ILE 757 Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 38.81 3k72 n ILE 757 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3k72 s GLN 759 N -1.96 4.19 -0.61 0.00 -1.52 -1.26 -4.96 119.66 113.53 3k72 s GLN 759 Ca 0.14 0.60 -0.22 0.00 -1.95 0.00 0.00 55.36 53.93 3k72 s GLN 759 Cb -0.04 -3.60 0.06 0.00 -0.22 0.00 0.00 33.01 29.22 3k72 s GLN 759 CO 0.45 -0.28 0.91 -0.51 -0.25 0.00 0.00 175.29 175.60 3k72 s ASP 760 N 1.27 6.22 -0.27 5.90 1.01 -1.26 -0.01 116.67 129.52 3k72 s ASP 760 Ca 0.28 -0.87 -0.01 0.00 0.71 0.00 0.00 52.55 52.67 3k72 s ASP 760 Cb -0.16 -2.40 0.08 0.00 1.01 0.00 0.00 42.92 41.45 3k72 s ASP 760 CO 0.10 -1.32 0.05 0.21 0.21 0.00 0.00 175.17 174.42 3k72 s ASN 761 N 3.39 3.79 -0.02 0.27 2.47 -1.26 -4.98 114.94 118.61 3k72 s ASN 761 Ca 0.23 -1.40 0.02 0.00 0.42 0.00 0.00 52.86 52.13 3k72 s ASN 761 Cb -0.17 -0.93 0.00 0.00 -1.45 0.00 0.00 41.25 38.71 3k72 s ASN 761 CO 0.12 -0.35 -0.07 -0.76 -3.72 0.00 0.00 177.10 172.32 3k72 s LEU 762 N 1.57 1.79 0.46 3.21 1.43 -1.26 -1.60 118.68 124.28 3k72 s LEU 762 Ca 0.04 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 3k72 s LEU 762 Cb -0.18 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 3k72 s LEU 762 CO -0.16 0.05 0.24 -0.83 0.23 0.00 0.00 176.35 175.87 3k72 s GLY 763 N 0.19 2.41 -0.14 -3.19 0.00 -1.22 -4.91 107.32 100.46 3k72 s GLY 763 Ca -0.02 -1.66 -0.25 0.00 0.00 0.00 0.00 44.72 42.78 3k72 s GLY 763 CO -0.00 -1.94 0.63 -1.50 0.00 0.00 0.00 173.10 170.29 3k72 s ILE 764 N -2.67 0.01 -0.28 0.90 2.07 -1.26 -1.50 121.20 118.47 3k72 s ILE 764 Ca 0.36 -0.05 -0.19 0.00 -1.41 0.00 0.00 60.65 59.36 3k72 s ILE 764 Cb 0.01 -0.91 0.08 0.00 0.13 0.00 0.00 42.46 41.77 3k72 s ILE 764 CO 0.20 -0.03 0.70 -0.55 -1.91 0.00 0.00 174.94 173.35 3k72 s SER 765 N -0.49 -0.88 0.11 4.50 0.15 -0.85 -4.69 113.70 111.55 3k72 s SER 765 Ca -0.06 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.08 3k72 s SER 765 Cb -0.03 1.41 -0.04 0.00 -1.71 0.00 0.00 66.02 65.65 3k72 s SER 765 CO 0.05 -0.24 -0.01 0.72 1.20 0.00 0.00 173.24 174.96 3k72 s PHE 766 N 1.21 0.86 0.34 3.44 -0.12 -1.26 -0.60 117.98 121.86 3k72 s PHE 766 Ca -0.07 -1.05 -0.04 0.00 -0.05 0.00 0.00 56.93 55.72 3k72 s PHE 766 Cb -0.05 -0.52 0.01 0.00 -0.63 0.00 0.00 43.02 41.83 3k72 s PHE 766 CO -0.13 -0.31 0.50 -1.54 -0.05 0.00 0.00 175.22 173.69 3k72 s SER 767 N -3.04 0.76 -0.39 1.98 1.04 -0.78 -4.98 113.70 108.28 3k72 s SER 767 Ca 0.16 -1.42 0.02 0.00 0.48 0.00 0.00 55.95 55.19 3k72 s SER 767 Cb 0.07 0.67 0.12 0.00 0.10 0.00 0.00 66.02 66.98 3k72 s SER 767 CO -0.03 -1.32 0.16 -0.36 0.98 0.00 0.00 173.24 172.67 3k72 s PHE 768 N -3.05 2.43 -0.25 5.02 0.08 -1.26 -0.92 117.98 120.03 3k72 s PHE 768 Ca 0.29 -2.44 -0.28 0.00 0.12 0.00 0.00 56.93 54.61 3k72 s PHE 768 Cb -0.01 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 3k72 s PHE 768 CO 0.19 -0.84 2.12 -2.14 -0.10 0.00 0.00 175.22 174.44 3k72 s PRO 769 N 0.76 3.16 0.00 0.24 0.02 -1.26 -2.79 135.00 135.13 3k72 s PRO 769 Ca 0.14 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.02 3k72 s PRO 769 Cb -0.21 -4.33 0.00 0.00 0.02 0.00 0.00 34.50 29.97 3k72 s PRO 769 CO -0.09 -2.07 0.00 0.41 -0.33 0.00 0.00 177.00 174.92 3k72 n GLY 770 N 5.68 1.91 3.59 0.52 0.00 -1.26 -4.96 105.19 110.68 3k72 n GLY 770 Ca 0.28 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.86 3k72 n GLY 770 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3k72 n LEU 771 N 0.00 3.26 -4.08 0.99 7.94 -1.12 -4.92 117.00 119.07 3k72 n LEU 771 Ca 0.00 0.42 -0.35 0.00 -1.11 0.00 0.00 56.01 54.97 3k72 n LEU 771 Cb 0.00 -1.49 -0.12 0.00 0.53 0.00 0.00 43.42 42.34 3k72 n LEU 771 CO 0.00 -0.49 -0.15 -1.59 -1.11 0.00 0.00 177.39 174.05 3k72 s LYS 772 N 5.82 2.04 0.00 1.96 -2.85 -1.26 -4.85 119.74 120.60 3k72 s LYS 772 Ca 1.00 -2.07 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 3k72 s LYS 772 Cb -0.47 -3.53 0.00 0.00 -2.06 0.00 0.00 37.83 31.77 3k72 s LYS 772 CO 0.40 -1.08 0.00 0.45 0.10 0.00 0.00 175.35 175.22 3k72 n SER 773 N 4.14 0.00 -2.96 0.03 2.88 -1.26 -4.77 113.62 111.68 3k72 n SER 773 Ca 0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.46 3k72 n SER 773 Cb 0.40 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.87 3k72 n SER 773 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3k72 n LEU 774 N 0.00 -6.59 -4.80 2.46 7.94 -1.26 -4.28 117.00 110.48 3k72 n LEU 774 Ca 0.00 0.67 -0.32 0.00 -1.11 0.00 0.00 56.01 55.25 3k72 n LEU 774 Cb 0.00 -2.89 -0.06 0.00 0.53 0.00 0.00 43.42 40.99 3k72 n LEU 774 CO 0.00 -2.12 -0.24 -1.48 -1.11 0.00 0.00 177.39 172.44 3k72 s LEU 775 N -2.13 3.92 -0.47 -1.96 0.05 -1.26 -2.69 118.68 114.14 3k72 s LEU 775 Ca 0.17 0.12 -0.29 0.00 0.05 0.00 0.00 54.13 54.18 3k72 s LEU 775 Cb -0.04 -2.41 0.02 0.00 -2.05 0.00 0.00 46.19 41.72 3k72 s LEU 775 CO 0.71 0.23 1.22 -0.69 -0.55 0.00 0.00 176.35 177.27 3k72 s VAL 776 N -1.28 4.10 0.00 1.48 1.01 -0.56 -3.27 120.40 121.87 3k72 s VAL 776 Ca 0.26 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.35 3k72 s VAL 776 Cb -0.12 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 31.74 3k72 s VAL 776 CO 0.18 -0.98 0.00 0.61 0.00 0.00 0.00 175.10 174.90 3k72 n GLY 777 N 4.94 2.58 3.92 4.51 0.00 -1.26 -1.66 105.19 118.22 3k72 n GLY 777 Ca 0.13 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 3k72 n GLY 777 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k72 s SER 778 N 0.00 4.54 -1.15 1.61 0.01 -1.20 -4.51 113.70 113.01 3k72 s SER 778 Ca 0.00 0.53 -0.10 0.00 1.31 0.00 0.00 55.95 57.69 3k72 s SER 778 Cb 0.00 -1.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.14 3k72 s SER 778 CO 0.00 -1.81 0.83 0.59 0.41 0.00 0.00 173.24 173.26 3k72 n ASN 779 N -3.13 -4.69 0.11 2.44 5.03 -1.26 -4.50 115.26 109.25 3k72 n ASN 779 Ca 0.09 -0.84 -0.11 0.00 0.87 0.00 0.00 54.58 54.59 3k72 n ASN 779 Cb 0.61 -4.30 -0.07 0.00 -1.02 0.00 0.00 39.78 34.99 3k72 n ASN 779 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3k72 h LEU 780 N -1.59 -0.28 -9.90 3.41 6.46 -1.86 -3.44 115.31 108.11 3k72 h LEU 780 Ca -0.63 -0.25 -0.48 0.00 -0.12 0.00 0.00 57.88 56.40 3k72 h LEU 780 Cb 1.34 0.07 0.01 0.00 -0.73 0.00 0.00 40.66 41.35 3k72 h LEU 780 CO 0.49 0.20 0.40 -1.83 -0.62 0.00 0.00 178.44 177.08 3k72 s GLU 781 N -3.77 4.40 -0.28 1.25 -1.05 -1.26 -0.81 118.70 117.18 3k72 s GLU 781 Ca -0.12 1.52 0.02 0.00 -0.15 0.00 0.00 54.97 56.24 3k72 s GLU 781 Cb 0.01 -2.77 0.08 0.00 -0.44 0.00 0.00 34.13 31.00 3k72 s GLU 781 CO 0.46 0.07 -0.01 -1.17 0.95 0.00 0.00 175.26 175.56 3k72 s LEU 782 N -2.18 3.42 -0.37 1.83 2.96 -0.50 -4.95 118.68 118.89 3k72 s LEU 782 Ca 0.52 -1.59 -0.27 0.00 -0.22 0.00 0.00 54.13 52.57 3k72 s LEU 782 Cb -0.23 -1.37 0.02 0.00 0.50 0.00 0.00 46.19 45.11 3k72 s LEU 782 CO 0.29 -0.29 0.97 0.20 -1.32 0.00 0.00 176.35 176.20 3k72 s ASN 783 N 1.20 6.73 -0.18 3.68 0.01 -1.26 -1.90 114.94 123.21 3k72 s ASN 783 Ca 0.01 0.66 -0.02 0.00 -0.71 0.00 0.00 52.86 52.80 3k72 s ASN 783 Cb -0.19 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 38.97 3k72 s ASN 783 CO -0.09 -0.90 -0.08 0.00 -1.51 0.00 0.00 177.10 174.53 3k72 s ALA 784 N 3.59 2.75 -0.59 0.60 0.00 -1.12 -4.22 121.76 122.78 3k72 s ALA 784 Ca 0.40 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.21 3k72 s ALA 784 Cb -0.12 -1.50 0.15 0.00 0.00 0.00 0.00 23.12 21.65 3k72 s ALA 784 CO 0.19 -0.12 0.50 -2.00 0.00 0.00 0.00 175.76 174.33 3k72 s GLU 785 N 0.96 2.89 -0.25 0.00 2.12 -0.09 -2.36 118.70 121.98 3k72 s GLU 785 Ca -0.01 -1.99 -0.10 0.00 0.36 0.00 0.00 54.97 53.23 3k72 s GLU 785 Cb -0.15 -4.13 -0.05 0.00 0.26 0.00 0.00 34.13 30.07 3k72 s GLU 785 CO -0.00 -1.25 0.15 0.54 -0.54 0.00 0.00 175.26 174.16 3k72 s VAL 786 N 1.01 5.25 0.23 3.70 0.11 -1.04 -1.87 120.40 127.77 3k72 s VAL 786 Ca 0.09 0.14 0.06 0.00 -2.93 0.00 0.00 61.98 59.34 3k72 s VAL 786 Cb -0.23 -3.45 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 3k72 s VAL 786 CO -0.02 0.33 0.25 -0.32 -3.33 0.00 0.00 175.10 172.02 3k72 s MET 787 N 1.20 3.14 -0.04 1.54 1.75 0.23 -2.11 119.30 125.01 3k72 s MET 787 Ca 0.07 -0.90 -0.23 0.00 -1.25 0.00 0.00 55.69 53.38 3k72 s MET 787 Cb -0.14 -2.72 0.05 0.00 2.84 0.00 0.00 34.83 34.86 3k72 s MET 787 CO 0.06 0.43 0.52 0.54 -0.65 0.00 0.00 175.02 175.91 3k72 s VAL 788 N -2.01 0.02 0.38 10.11 0.11 -0.91 -2.00 120.40 126.10 3k72 s VAL 788 Ca 0.33 -0.20 0.08 0.00 -2.93 0.00 0.00 61.98 59.26 3k72 s VAL 788 Cb -0.09 -0.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 3k72 s VAL 788 CO 0.26 -0.11 0.12 0.26 -3.33 0.00 0.00 175.10 172.31 3k72 s TRP 789 N -1.15 2.62 -0.45 1.54 0.51 -0.56 -2.49 118.94 118.96 3k72 s TRP 789 Ca -0.11 -0.50 0.06 0.00 -2.12 0.00 0.00 56.10 53.43 3k72 s TRP 789 Cb -0.02 -1.75 0.22 0.00 -0.81 0.00 0.00 33.47 31.10 3k72 s TRP 789 CO 0.07 0.30 0.61 -1.71 -0.51 0.00 0.00 176.95 175.72 3k72 n ASN 790 N -1.14 -1.48 -1.12 2.95 5.15 -1.23 -3.41 115.26 114.98 3k72 n ASN 790 Ca -0.02 -2.82 0.03 0.00 -0.60 0.00 0.00 54.58 51.17 3k72 n ASN 790 Cb 0.63 0.48 0.19 0.00 -0.53 0.00 0.00 39.78 40.55 3k72 n ASN 790 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3k72 n ASP 791 N 2.11 3.12 -0.23 1.20 8.00 -0.63 -2.70 116.55 127.42 3k72 n ASP 791 Ca 0.19 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 53.29 3k72 n ASP 791 Cb 0.55 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 3k72 n ASP 791 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k72 n GLY 792 N 0.33 5.27 3.48 0.44 0.00 -0.64 -4.84 105.19 109.24 3k72 n GLY 792 Ca 0.13 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 3k72 n GLY 792 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k72 n GLU 793 N 0.00 0.34 -1.70 1.61 4.07 0.99 -4.52 120.64 121.42 3k72 n GLU 793 Ca 0.00 0.15 -0.43 0.00 -0.06 0.00 0.00 57.16 56.83 3k72 n GLU 793 Cb 0.00 -1.86 -0.03 0.00 -0.06 0.00 0.00 31.44 29.49 3k72 n GLU 793 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3k72 n ASP 794 N -0.36 3.94 -4.71 4.31 9.92 -1.26 -4.61 116.55 123.79 3k72 n ASP 794 Ca 0.10 1.02 -0.37 0.00 -0.53 0.00 0.00 54.79 55.02 3k72 n ASP 794 Cb 0.50 -1.55 -0.07 0.00 -0.64 0.00 0.00 41.12 39.36 3k72 n ASP 794 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3k72 s SER 795 N 1.96 6.49 0.00 -2.24 1.04 -1.05 -5.02 113.70 114.89 3k72 s SER 795 Ca 0.79 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.80 3k72 s SER 795 Cb -0.51 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3k72 s SER 795 CO 0.35 0.01 0.00 -1.22 0.98 0.00 0.00 173.24 173.37 3k72 n TYR 796 N 3.92 0.00 -0.92 5.02 4.02 -1.26 -1.78 117.16 126.16 3k72 n TYR 796 Ca -0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.66 3k72 n TYR 796 Cb 0.51 -0.05 -0.01 0.00 -0.02 0.00 0.00 39.34 39.78 3k72 n TYR 796 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k72 n GLY 797 N 2.17 3.64 3.61 2.72 0.00 -1.26 -4.48 105.19 111.59 3k72 n GLY 797 Ca 0.00 -1.00 -0.49 0.00 0.00 0.00 0.00 46.02 44.53 3k72 n GLY 797 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3k72 n THR 798 N 0.97 0.50 -4.52 2.61 5.66 -1.26 -3.39 114.28 114.85 3k72 n THR 798 Ca 0.28 -0.12 -0.30 0.00 -3.05 0.00 0.00 64.05 60.86 3k72 n THR 798 Cb 0.60 -1.02 -0.13 0.00 -1.55 0.00 0.00 70.33 68.22 3k72 n THR 798 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3k72 s THR 799 N 0.19 2.40 -0.20 1.09 -4.23 -1.00 -2.03 115.64 111.85 3k72 s THR 799 Ca 0.77 -1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 59.69 3k72 s THR 799 Cb -0.83 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 71.03 3k72 s THR 799 CO 0.48 0.18 0.03 -0.51 -0.54 0.00 0.00 174.62 174.26 3k72 s ILE 800 N -1.00 0.64 0.05 2.99 1.10 -0.86 -2.80 121.20 121.31 3k72 s ILE 800 Ca 0.14 -0.66 0.04 0.00 -0.51 0.00 0.00 60.65 59.66 3k72 s ILE 800 Cb -0.10 -1.13 -0.04 0.00 0.15 0.00 0.00 42.46 41.34 3k72 s ILE 800 CO 0.06 -0.22 -0.02 0.42 -2.11 0.00 0.00 174.94 173.07 3k72 s THR 801 N 1.80 3.92 0.19 4.00 -4.23 -0.70 -1.21 115.64 119.42 3k72 s THR 801 Ca -0.01 -0.89 0.10 0.00 -1.18 0.00 0.00 61.69 59.71 3k72 s THR 801 Cb -0.17 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 3k72 s THR 801 CO -0.09 0.23 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.71 3k72 s PHE 802 N -1.19 2.50 -0.12 3.99 0.40 -1.06 -1.20 117.98 121.29 3k72 s PHE 802 Ca 0.22 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 3k72 s PHE 802 Cb -0.11 -1.21 -0.02 0.00 0.51 0.00 0.00 43.02 42.18 3k72 s PHE 802 CO 0.14 0.52 -0.13 -1.54 0.70 0.00 0.00 175.22 174.91 3k72 s SER 803 N -2.84 4.04 0.04 1.36 1.04 -1.13 -1.94 113.70 114.26 3k72 s SER 803 Ca 0.24 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 56.21 3k72 s SER 803 Cb -0.08 -1.49 0.03 0.00 0.10 0.00 0.00 66.02 64.57 3k72 s SER 803 CO 0.13 0.20 0.34 -1.38 0.98 0.00 0.00 173.24 173.51 3k72 s HIS 804 N 0.17 -0.17 0.74 5.02 -3.43 -0.97 -2.67 115.29 113.98 3k72 s HIS 804 Ca -0.07 0.10 -0.14 0.00 -0.80 0.00 0.00 55.06 54.15 3k72 s HIS 804 Cb -0.15 0.14 0.05 0.00 -1.43 0.00 0.00 32.58 31.19 3k72 s HIS 804 CO 0.05 -0.52 1.15 -1.25 -2.00 0.00 0.00 174.74 172.18 3k72 s PRO 805 N -2.39 2.18 0.60 -0.38 0.04 -1.26 -1.76 135.00 132.02 3k72 s PRO 805 Ca -0.06 1.55 0.28 0.00 0.04 0.00 0.00 61.00 62.81 3k72 s PRO 805 Cb -0.01 -1.86 1.44 0.00 0.04 0.00 0.00 34.50 34.11 3k72 s PRO 805 CO -0.02 -1.76 1.84 0.00 0.04 0.00 0.00 177.00 177.10 3k72 h ALA 806 N -0.54 2.10 0.00 8.56 0.00 -1.64 -3.11 119.26 124.64 3k72 h ALA 806 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3k72 h ALA 806 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3k72 h ALA 806 CO 0.50 -0.73 0.00 0.41 0.00 0.00 0.00 179.25 179.43 3k72 n GLY 807 N -1.48 0.14 3.50 0.00 0.00 -1.26 -4.73 105.19 101.37 3k72 n GLY 807 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 3k72 n GLY 807 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3k72 s LEU 808 N -0.49 -0.44 0.29 0.99 0.05 -1.18 -2.67 118.68 115.23 3k72 s LEU 808 Ca 0.00 -0.07 -0.08 0.00 0.05 0.00 0.00 54.13 54.04 3k72 s LEU 808 Cb 0.00 2.35 -0.00 0.00 -2.05 0.00 0.00 46.19 46.49 3k72 s LEU 808 CO 0.00 -0.85 0.46 -0.44 -0.55 0.00 0.00 176.35 174.96 3k72 s SER 809 N -2.67 0.34 0.04 1.48 0.01 -1.04 -4.94 113.70 106.92 3k72 s SER 809 Ca 0.04 -1.21 -0.19 0.00 1.31 0.00 0.00 55.95 55.90 3k72 s SER 809 Cb -0.01 0.61 -0.06 0.00 0.21 0.00 0.00 66.02 66.77 3k72 s SER 809 CO -0.09 -1.20 0.57 -0.47 0.41 0.00 0.00 173.24 172.45 3k72 s TYR 810 N -3.56 3.76 -0.04 2.43 6.14 -1.26 -1.95 117.35 122.87 3k72 s TYR 810 Ca 0.27 1.23 0.04 0.00 0.64 0.00 0.00 57.07 59.25 3k72 s TYR 810 Cb -0.00 -2.53 -0.00 0.00 0.42 0.00 0.00 41.96 39.85 3k72 s TYR 810 CO 0.14 0.50 -0.17 -0.98 0.64 0.00 0.00 175.55 175.68 3k72 s ARG 811 N -0.76 1.70 0.28 4.97 1.70 -0.65 -4.94 118.95 121.25 3k72 s ARG 811 Ca 0.29 -0.61 -0.30 0.00 -0.47 0.00 0.00 55.73 54.65 3k72 s ARG 811 Cb -0.19 -1.50 -0.13 0.00 -0.57 0.00 0.00 34.95 32.56 3k72 s ARG 811 CO 0.18 0.27 1.40 0.98 -1.08 0.00 0.00 175.30 177.05 3k72 n TYR 812 N 3.06 2.31 -0.06 5.89 9.36 -1.26 -4.35 117.16 132.10 3k72 n TYR 812 Ca -0.17 0.44 -0.08 0.00 3.32 0.00 0.00 57.90 61.40 3k72 n TYR 812 Cb 0.53 -2.47 -0.07 0.00 -0.63 0.00 0.00 39.34 36.70 3k72 n TYR 812 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3k72 h VAL 813 N 2.96 0.98 -5.85 2.97 2.07 -1.94 -3.49 116.25 113.95 3k72 h VAL 813 Ca -0.46 -1.75 -0.35 0.00 0.82 0.00 0.00 66.70 64.96 3k72 h VAL 813 Cb 1.27 1.87 0.13 0.00 -1.52 0.00 0.00 31.29 33.04 3k72 h VAL 813 CO 0.73 0.33 -0.87 0.00 0.02 0.00 0.00 177.57 177.77 3k72 n ALA 814 N -2.74 -2.38 -2.28 1.67 0.00 -1.26 -4.99 120.51 108.54 3k72 n ALA 814 Ca -0.07 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 3k72 n ALA 814 Cb 0.28 -4.24 -0.04 0.00 0.00 0.00 0.00 19.45 15.45 3k72 n ALA 814 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3k72 s GLU 815 N -5.30 2.48 0.00 0.00 0.41 -1.26 -5.06 118.70 109.97 3k72 s GLU 815 Ca 0.34 -1.59 0.00 0.00 -0.41 0.00 0.00 54.97 53.31 3k72 s GLU 815 Cb -0.08 -2.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 3k72 s GLU 815 CO 0.79 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 3k72 n GLY 816 N -1.48 0.10 0.10 -1.39 0.00 -1.26 -5.03 105.19 96.23 3k72 n GLY 816 Ca 0.02 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3k72 n GLY 816 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k72 n GLN 817 N 0.00 0.18 -3.15 1.61 7.27 -1.26 -0.50 117.38 121.52 3k72 n GLN 817 Ca 0.00 0.30 0.05 0.00 0.07 0.00 0.00 57.00 57.42 3k72 n GLN 817 Cb 0.00 -1.77 -0.01 0.00 2.41 0.00 0.00 30.24 30.87 3k72 n GLN 817 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 3k72 s LYS 818 N -3.18 0.30 -0.23 3.69 -2.85 -1.26 -5.19 119.74 111.01 3k72 s LYS 818 Ca 0.07 0.38 -0.16 0.00 -1.00 0.00 0.00 55.97 55.26 3k72 s LYS 818 Cb 0.11 0.19 0.07 0.00 -2.06 0.00 0.00 37.83 36.14 3k72 s LYS 818 CO 0.45 -0.48 0.59 -0.65 0.10 0.00 0.00 175.35 175.37 3k72 s GLN 819 N 2.92 0.63 0.00 1.78 -0.21 0.34 -5.15 119.66 119.96 3k72 s GLN 819 Ca 0.16 0.98 0.00 0.00 0.02 0.00 0.00 55.36 56.51 3k72 s GLN 819 Cb -0.07 0.17 0.00 0.00 1.00 0.00 0.00 33.01 34.11 3k72 s GLN 819 CO -0.21 -0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.25 3k72 n GLY 820 N 3.73 -0.90 2.58 3.09 0.00 -1.26 -4.72 105.19 107.70 3k72 n GLY 820 Ca -0.18 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 3k72 n GLY 820 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k72 n GLN 821 N 0.00 2.12 0.00 1.61 6.02 -1.26 -5.07 117.38 120.79 3k72 n GLN 821 Ca 0.00 -3.72 0.00 0.00 -0.01 0.00 0.00 57.00 53.27 3k72 n GLN 821 Cb 0.00 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 29.57 3k72 n GLN 821 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3k72 n LEU 822 N -0.35 0.00 -4.78 1.08 7.94 -1.26 -4.93 117.00 114.70 3k72 n LEU 822 Ca 0.20 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.76 3k72 n LEU 822 Cb 0.79 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.75 3k72 n LEU 822 CO 0.26 0.00 0.76 -0.60 -1.11 0.00 0.00 177.39 176.70 3k72 s ARG 823 N 3.61 3.35 0.00 1.96 3.52 -1.25 -4.80 118.95 125.34 3k72 s ARG 823 Ca 0.00 1.52 0.00 0.00 -0.13 0.00 0.00 55.73 57.12 3k72 s ARG 823 Cb 0.00 -2.01 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 3k72 s ARG 823 CO 0.00 -0.83 0.15 0.43 -0.81 0.00 0.00 175.30 174.24 3k72 n SER 824 N -1.43 0.00 -3.96 -2.12 7.64 -1.26 -4.93 113.62 107.56 3k72 n SER 824 Ca 0.11 -1.00 -0.30 0.00 1.01 0.00 0.00 58.87 58.69 3k72 n SER 824 Cb 0.51 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.55 3k72 n SER 824 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k72 s LEU 825 N 0.00 2.15 -0.43 -3.43 1.43 -1.26 -5.08 118.68 112.06 3k72 s LEU 825 Ca 0.00 -0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 51.94 3k72 s LEU 825 Cb 0.00 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 45.09 3k72 s LEU 825 CO 0.00 -0.17 1.31 -2.28 0.23 0.00 0.00 176.35 175.44 3k72 s HIS 826 N 1.46 2.56 0.04 0.29 5.65 -1.26 -5.00 115.29 119.03 3k72 s HIS 826 Ca -0.01 0.69 0.04 0.00 0.25 0.00 0.00 55.06 56.03 3k72 s HIS 826 Cb -0.16 -4.35 -0.02 0.00 -1.18 0.00 0.00 32.58 26.87 3k72 s HIS 826 CO -0.08 -1.72 -0.11 -0.48 -0.65 0.00 0.00 174.74 171.71 3k72 s LEU 827 N 5.05 2.20 -0.24 8.88 0.05 -1.26 -3.48 118.68 129.88 3k72 s LEU 827 Ca 0.56 -0.47 -0.07 0.00 0.05 0.00 0.00 54.13 54.20 3k72 s LEU 827 Cb -0.11 -0.41 -0.03 0.00 -2.05 0.00 0.00 46.19 43.59 3k72 s LEU 827 CO 0.32 -0.06 0.06 -0.89 -0.55 0.00 0.00 176.35 175.24 3k72 s THR 828 N -1.00 4.30 -0.03 5.48 2.01 -1.04 -4.90 115.64 120.46 3k72 s THR 828 Ca -0.03 -0.18 0.07 0.00 0.31 0.00 0.00 61.69 61.87 3k72 s THR 828 Cb -0.08 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 3k72 s THR 828 CO 0.01 0.36 -0.26 0.00 -0.69 0.00 0.00 174.62 174.04 3k72 s ASP 830 N -0.47 3.09 0.69 0.00 1.01 -0.40 -4.99 116.67 115.60 3k72 s ASP 830 Ca 0.06 -0.87 -0.12 0.00 0.71 0.00 0.00 52.55 52.33 3k72 s ASP 830 Cb -0.11 -0.75 0.01 0.00 1.01 0.00 0.00 42.92 43.08 3k72 s ASP 830 CO 0.00 -0.28 1.07 -0.94 0.21 0.00 0.00 175.17 175.23 3k72 s SER 831 N 1.74 5.27 -0.29 0.27 1.04 -1.26 -2.88 113.70 117.59 3k72 s SER 831 Ca -0.02 1.70 -0.26 0.00 0.48 0.00 0.00 55.95 57.85 3k72 s SER 831 Cb -0.17 -2.51 0.18 0.00 0.10 0.00 0.00 66.02 63.62 3k72 s SER 831 CO -0.07 -1.52 1.35 0.00 0.98 0.00 0.00 173.24 173.98 3k72 s ALA 832 N -2.91 -2.16 0.20 5.32 0.00 -0.62 -4.97 121.76 116.62 3k72 s ALA 832 Ca 0.60 1.73 -0.30 0.00 0.00 0.00 0.00 51.96 53.99 3k72 s ALA 832 Cb -0.15 -1.65 -0.08 0.00 0.00 0.00 0.00 23.12 21.23 3k72 s ALA 832 CO 0.52 -0.15 1.20 -1.25 0.00 0.00 0.00 175.76 176.09 3k72 s PRO 833 N -0.11 4.49 0.00 0.00 0.04 -1.26 -1.84 135.00 136.31 3k72 s PRO 833 Ca 0.07 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3k72 s PRO 833 Cb -0.04 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3k72 s PRO 833 CO -0.12 -0.08 0.00 0.28 0.04 0.00 0.00 177.00 177.12 3k72 n VAL 834 N 2.35 0.00 -0.61 -0.36 0.31 -1.23 -4.85 118.33 113.94 3k72 n VAL 834 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.06 3k72 n VAL 834 Cb 0.44 -0.59 0.20 0.00 -0.91 0.00 0.00 33.84 32.98 3k72 n VAL 834 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k72 n GLY 835 N 3.32 -2.30 0.32 2.92 0.00 -0.99 -4.87 105.19 103.59 3k72 n GLY 835 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 3k72 n GLY 835 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3k72 h SER 836 N -2.25 -0.97 -1.16 1.61 0.87 -2.00 -3.41 113.55 106.24 3k72 h SER 836 Ca -0.56 0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.07 3k72 h SER 836 Cb 1.35 0.43 -0.22 0.00 -0.44 0.00 0.00 62.40 63.52 3k72 h SER 836 CO 0.42 -0.33 -0.47 -1.58 -0.53 0.00 0.00 176.83 174.34 3k72 s GLN 837 N -6.02 0.71 0.00 2.24 0.74 -1.26 -5.01 119.66 111.06 3k72 s GLN 837 Ca -0.15 -0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.14 3k72 s GLN 837 Cb 0.12 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.23 3k72 s GLN 837 CO 0.67 -1.15 0.00 0.41 -0.55 0.00 0.00 175.29 174.67 3k72 n GLY 838 N 4.69 4.10 3.98 2.59 0.00 -1.26 -5.11 105.19 114.18 3k72 n GLY 838 Ca 0.09 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 3k72 n GLY 838 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k72 s THR 839 N 0.00 3.66 -0.13 2.61 -4.23 -1.26 -1.79 115.64 114.50 3k72 s THR 839 Ca 0.00 -0.80 -0.32 0.00 -1.18 0.00 0.00 61.69 59.39 3k72 s THR 839 Cb 0.00 -3.30 0.13 0.00 1.34 0.00 0.00 72.50 70.67 3k72 s THR 839 CO 0.00 -0.16 1.09 -1.66 -0.54 0.00 0.00 174.62 173.36 3k72 s TRP 840 N -2.40 -0.21 -0.06 3.99 1.48 -0.72 -2.34 118.94 118.66 3k72 s TRP 840 Ca 0.49 0.17 -0.01 0.00 -1.06 0.00 0.00 56.10 55.69 3k72 s TRP 840 Cb -0.10 0.52 -0.03 0.00 -1.16 0.00 0.00 33.47 32.69 3k72 s TRP 840 CO 0.34 -0.32 0.01 0.45 -4.06 0.00 0.00 176.95 173.38 3k72 s SER 841 N -2.14 5.26 -0.43 -2.66 0.15 -0.77 -2.30 113.70 110.82 3k72 s SER 841 Ca 0.07 0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.88 3k72 s SER 841 Cb -0.01 -1.47 0.12 0.00 -1.71 0.00 0.00 66.02 62.95 3k72 s SER 841 CO -0.06 0.35 0.16 0.42 1.20 0.00 0.00 173.24 175.32 3k72 s THR 842 N -0.95 2.48 0.59 6.45 -4.23 -0.82 -1.59 115.64 117.58 3k72 s THR 842 Ca 0.15 -2.81 -0.16 0.00 -1.18 0.00 0.00 61.69 57.69 3k72 s THR 842 Cb -0.11 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 3k72 s THR 842 CO 0.05 -0.70 1.06 -0.94 -0.54 0.00 0.00 174.62 173.54 3k72 s SER 843 N 0.36 5.79 -0.38 3.99 1.04 -1.14 -2.57 113.70 120.78 3k72 s SER 843 Ca 0.14 1.82 0.05 0.00 0.48 0.00 0.00 55.95 58.44 3k72 s SER 843 Cb -0.22 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 63.53 3k72 s SER 843 CO -0.04 -1.16 0.48 0.00 0.98 0.00 0.00 173.24 173.49 3k72 s ARG 845 N 1.62 4.28 -0.64 0.00 1.70 -0.63 -2.03 118.95 123.25 3k72 s ARG 845 Ca 0.16 1.10 -0.26 0.00 -0.47 0.00 0.00 55.73 56.26 3k72 s ARG 845 Cb -0.11 -3.60 -0.11 0.00 -0.57 0.00 0.00 34.95 30.56 3k72 s ARG 845 CO -0.05 -0.42 2.43 -0.89 -1.08 0.00 0.00 175.30 175.28 3k72 n ILE 846 N 4.94 -0.05 0.00 4.99 5.41 -0.86 -2.50 119.36 131.28 3k72 n ILE 846 Ca 0.06 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 63.17 3k72 n ILE 846 Cb 0.48 -2.30 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 3k72 n ILE 846 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3k72 n ASN 847 N 16.08 0.00 -3.12 4.38 5.15 -1.23 -4.24 115.26 132.28 3k72 n ASN 847 Ca 0.43 0.62 -0.29 0.00 -0.60 0.00 0.00 54.58 54.75 3k72 n ASN 847 Cb 0.46 -0.12 -0.04 0.00 -0.53 0.00 0.00 39.78 39.55 3k72 n ASN 847 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k72 n HIS 848 N -1.22 3.84 0.00 1.20 1.44 -1.26 -4.93 115.22 114.29 3k72 n HIS 848 Ca 0.00 -3.87 0.00 0.00 -2.01 0.00 0.00 57.72 51.84 3k72 n HIS 848 Cb 0.00 -0.58 0.00 0.00 0.12 0.00 0.00 29.99 29.53 3k72 n HIS 848 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 3k72 n LEU 849 N 0.02 0.00 -4.92 2.39 -0.00 -1.26 -5.11 117.00 108.11 3k72 n LEU 849 Ca 0.32 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 56.04 3k72 n LEU 849 Cb 0.38 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.77 3k72 n LEU 849 CO 0.38 0.00 -0.01 -0.63 -0.00 0.00 0.00 177.39 177.13 3k72 s ILE 850 N -2.00 5.23 -0.43 1.47 1.01 -1.26 -4.79 121.20 120.44 3k72 s ILE 850 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.37 3k72 s ILE 850 Cb 0.00 -3.70 0.11 0.00 0.01 0.00 0.00 42.46 38.89 3k72 s ILE 850 CO 0.00 -0.08 0.16 0.12 0.00 0.00 0.00 174.94 175.14 3k72 s PHE 851 N -1.76 3.52 0.23 3.97 5.99 -0.73 -5.06 117.98 124.13 3k72 s PHE 851 Ca 0.38 -3.02 0.05 0.00 0.00 0.00 0.00 56.93 54.34 3k72 s PHE 851 Cb -0.11 -2.92 -0.03 0.00 0.00 0.00 0.00 43.02 39.95 3k72 s PHE 851 CO 0.28 -0.87 0.28 1.03 -0.00 0.00 0.00 175.22 175.94 3k72 s ARG 852 N 0.41 3.23 1.42 10.12 0.52 -1.26 -2.52 118.95 130.86 3k72 s ARG 852 Ca 0.13 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 3k72 s ARG 852 Cb -0.22 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.48 3k72 s ARG 852 CO -0.04 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.12 3k72 n GLY 853 N -1.14 0.58 0.90 -3.53 0.00 -1.26 -2.69 105.19 98.05 3k72 n GLY 853 Ca -0.08 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 45.11 3k72 n GLY 853 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k72 n GLY 854 N 0.00 1.95 3.75 -0.02 0.00 -1.10 -4.38 105.19 105.40 3k72 n GLY 854 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3k72 n GLY 854 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 s ALA 855 N -0.59 3.40 0.16 4.61 0.00 -1.10 -4.68 121.76 123.56 3k72 s ALA 855 Ca 0.04 0.88 0.05 0.00 0.00 0.00 0.00 51.96 52.93 3k72 s ALA 855 Cb 0.03 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3k72 s ALA 855 CO 0.01 -0.19 0.12 1.14 0.00 0.00 0.00 175.76 176.84 3k72 s GLN 856 N -1.03 2.84 -0.01 0.00 -2.07 -1.26 -3.55 119.66 114.57 3k72 s GLN 856 Ca 0.47 -0.89 -0.07 0.00 -1.82 0.00 0.00 55.36 53.04 3k72 s GLN 856 Cb -0.31 -2.61 0.01 0.00 -1.09 0.00 0.00 33.01 29.00 3k72 s GLN 856 CO 0.39 0.48 0.15 0.96 -1.32 0.00 0.00 175.29 175.95 3k72 s ILE 857 N -1.73 0.06 -0.07 3.63 -4.36 -1.04 -5.01 121.20 112.69 3k72 s ILE 857 Ca 0.30 -0.52 0.03 0.00 -0.26 0.00 0.00 60.65 60.20 3k72 s ILE 857 Cb -0.10 -0.39 0.01 0.00 1.25 0.00 0.00 42.46 43.23 3k72 s ILE 857 CO 0.23 -0.29 -0.15 0.42 0.24 0.00 0.00 174.94 175.39 3k72 s THR 858 N -1.03 1.33 0.24 8.37 -4.23 -1.26 -2.13 115.64 116.93 3k72 s THR 858 Ca -0.11 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 3k72 s THR 858 Cb -0.06 -1.19 -0.05 0.00 1.34 0.00 0.00 72.50 72.54 3k72 s THR 858 CO 0.01 0.40 0.05 0.72 -0.54 0.00 0.00 174.62 175.26 3k72 s PHE 859 N 0.50 1.52 -0.15 3.99 -0.71 -0.90 -3.81 117.98 118.42 3k72 s PHE 859 Ca -0.13 -1.07 -0.00 0.00 -1.04 0.00 0.00 56.93 54.68 3k72 s PHE 859 Cb -0.15 -0.90 -0.01 0.00 -1.21 0.00 0.00 43.02 40.76 3k72 s PHE 859 CO 0.04 -0.21 -0.14 -1.17 -1.34 0.00 0.00 175.22 172.40 3k72 s LEU 860 N -3.30 2.57 -0.13 -1.99 0.20 -1.26 -2.51 118.68 112.26 3k72 s LEU 860 Ca 0.33 -0.42 0.00 0.00 0.69 0.00 0.00 54.13 54.73 3k72 s LEU 860 Cb 0.07 -1.58 0.02 0.00 -0.43 0.00 0.00 46.19 44.27 3k72 s LEU 860 CO 0.11 0.11 -0.13 0.00 -0.29 0.00 0.00 176.35 176.15 3k72 s ALA 861 N 0.69 1.67 -0.12 5.97 0.00 -0.99 -4.83 121.76 124.13 3k72 s ALA 861 Ca -0.07 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 3k72 s ALA 861 Cb -0.16 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 3k72 s ALA 861 CO 0.02 -0.32 -0.03 0.99 0.00 0.00 0.00 175.76 176.42 3k72 s THR 862 N 1.42 3.97 -0.26 0.00 2.01 -1.26 -2.80 115.64 118.72 3k72 s THR 862 Ca 0.02 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 3k72 s THR 862 Cb -0.13 -2.70 0.03 0.00 0.01 0.00 0.00 72.50 69.71 3k72 s THR 862 CO -0.08 0.54 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.98 3k72 s PHE 863 N -0.15 3.12 0.27 4.92 0.40 -0.80 -1.63 117.98 124.10 3k72 s PHE 863 Ca 0.03 -1.65 -0.30 0.00 -0.60 0.00 0.00 56.93 54.42 3k72 s PHE 863 Cb -0.13 -2.07 -0.10 0.00 0.51 0.00 0.00 43.02 41.24 3k72 s PHE 863 CO 0.02 -0.75 1.37 -0.51 0.70 0.00 0.00 175.22 176.06 3k72 s ASP 864 N 1.30 6.74 -0.06 1.36 1.01 -0.82 -1.41 116.67 124.78 3k72 s ASP 864 Ca -0.01 2.62 0.06 0.00 0.71 0.00 0.00 52.55 55.93 3k72 s ASP 864 Cb -0.17 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.12 3k72 s ASP 864 CO -0.04 -0.62 -0.25 0.54 0.21 0.00 0.00 175.17 175.02 3k72 s VAL 865 N -0.34 2.03 0.39 -1.27 0.11 0.01 -2.51 120.40 118.82 3k72 s VAL 865 Ca 0.55 -1.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.30 3k72 s VAL 865 Cb -0.40 -1.73 -0.09 0.00 -1.53 0.00 0.00 36.38 32.64 3k72 s VAL 865 CO 0.45 0.56 1.14 -0.94 -3.33 0.00 0.00 175.10 172.99 3k72 s SER 866 N -0.07 6.65 0.60 3.54 1.04 -1.09 -4.77 113.70 119.59 3k72 s SER 866 Ca -0.06 2.29 0.33 0.00 0.48 0.00 0.00 55.95 58.98 3k72 s SER 866 Cb -0.14 -2.61 1.90 0.00 0.10 0.00 0.00 66.02 65.27 3k72 s SER 866 CO 0.05 -0.58 2.25 -0.65 0.98 0.00 0.00 173.24 175.28 3k72 h PRO 867 N 2.74 0.00 -2.18 4.02 0.11 -1.93 -2.59 132.00 132.17 3k72 h PRO 867 Ca -0.48 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.96 3k72 h PRO 867 Cb 1.23 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.97 3k72 h PRO 867 CO 0.63 0.02 -0.07 1.17 -0.21 0.00 0.00 178.00 179.54 3k72 n LYS 868 N -3.62 3.88 -2.70 1.05 4.81 -1.26 -4.47 118.16 115.84 3k72 n LYS 868 Ca -0.03 -4.70 -0.43 0.00 -0.87 0.00 0.00 58.31 52.29 3k72 n LYS 868 Cb 0.11 -2.31 -0.03 0.00 0.02 0.00 0.00 35.03 32.82 3k72 n LYS 868 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3k72 s ALA 869 N -3.77 3.11 -0.33 3.14 0.00 -0.98 -4.99 121.76 117.95 3k72 s ALA 869 Ca 0.46 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 3k72 s ALA 869 Cb 0.28 -3.86 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 3k72 s ALA 869 CO -0.16 -2.41 1.41 0.08 0.00 0.00 0.00 175.76 174.68 3k72 s VAL 870 N 4.37 3.96 -0.13 0.00 1.01 -1.26 -4.97 120.40 123.38 3k72 s VAL 870 Ca 0.39 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 3k72 s VAL 870 Cb -0.09 -4.09 0.11 0.00 0.00 0.00 0.00 36.38 32.30 3k72 s VAL 870 CO 0.25 -0.55 0.88 -1.48 0.00 0.00 0.00 175.10 174.20 3k72 s LEU 871 N 4.98 -0.48 1.16 3.92 0.05 -1.26 -4.53 118.68 122.52 3k72 s LEU 871 Ca 0.61 0.56 -0.17 0.00 0.05 0.00 0.00 54.13 55.18 3k72 s LEU 871 Cb -0.17 2.11 0.20 0.00 -2.05 0.00 0.00 46.19 46.28 3k72 s LEU 871 CO 0.28 -0.42 0.36 0.61 -0.55 0.00 0.00 176.35 176.63 3k72 n GLY 872 N 0.92 -2.70 0.00 -3.48 0.00 -1.26 -4.75 105.19 93.92 3k72 n GLY 872 Ca -0.13 -1.00 0.01 0.00 0.00 0.00 0.00 46.02 44.90 3k72 n GLY 872 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k72 n ASP 873 N -2.62 0.00 -3.89 1.61 5.75 -1.26 -4.48 116.55 111.66 3k72 n ASP 873 Ca 0.05 0.33 -0.11 0.00 -0.01 0.00 0.00 54.79 55.05 3k72 n ASP 873 Cb 0.52 -0.36 -0.12 0.00 -1.03 0.00 0.00 41.12 40.14 3k72 n ASP 873 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3k72 s ARG 874 N -2.71 0.22 -0.10 0.11 0.52 -1.26 -1.89 118.95 113.83 3k72 s ARG 874 Ca 0.02 -0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.06 3k72 s ARG 874 Cb 0.02 0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.59 3k72 s ARG 874 CO 0.04 -0.04 -0.14 -0.48 0.02 0.00 0.00 175.30 174.70 3k72 s LEU 875 N -0.62 1.66 0.33 2.53 0.05 -0.73 -4.95 118.68 116.94 3k72 s LEU 875 Ca -0.07 -0.39 0.07 0.00 0.05 0.00 0.00 54.13 53.79 3k72 s LEU 875 Cb -0.04 -1.02 -0.03 0.00 -2.05 0.00 0.00 46.19 43.05 3k72 s LEU 875 CO 0.00 0.01 0.28 -1.48 -0.55 0.00 0.00 176.35 174.60 3k72 s LEU 876 N 0.99 3.61 -0.19 1.48 0.05 -1.26 -1.80 118.68 121.55 3k72 s LEU 876 Ca -0.07 -0.48 -0.27 0.00 0.05 0.00 0.00 54.13 53.36 3k72 s LEU 876 Cb -0.15 -2.21 0.09 0.00 -2.05 0.00 0.00 46.19 41.86 3k72 s LEU 876 CO -0.01 -0.32 0.79 -1.48 -0.55 0.00 0.00 176.35 174.78 3k72 s LEU 877 N -3.97 -0.63 0.00 1.48 0.05 -1.04 -4.51 118.68 110.06 3k72 s LEU 877 Ca 0.40 1.02 0.01 0.00 0.05 0.00 0.00 54.13 55.61 3k72 s LEU 877 Cb -0.06 2.33 0.01 0.00 -2.05 0.00 0.00 46.19 46.41 3k72 s LEU 877 CO 0.26 -0.35 0.06 0.35 -0.55 0.00 0.00 176.35 176.12 3k72 n THR 878 N 1.86 0.00 -3.28 5.48 -2.24 -1.09 -2.28 114.28 112.73 3k72 n THR 878 Ca -0.15 -2.01 -0.08 0.00 -2.27 0.00 0.00 64.05 59.54 3k72 n THR 878 Cb 0.56 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 3k72 n THR 878 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k72 s ALA 879 N -2.73 -1.42 0.13 6.98 0.00 -0.57 -2.84 121.76 121.31 3k72 s ALA 879 Ca 0.04 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 3k72 s ALA 879 Cb -0.00 -2.39 -0.08 0.00 0.00 0.00 0.00 23.12 20.65 3k72 s ALA 879 CO 0.03 -2.16 1.31 -0.80 0.00 0.00 0.00 175.76 174.14 3k72 s ASN 880 N 1.70 6.92 -0.05 0.00 -0.87 -0.34 -3.13 114.94 119.16 3k72 s ASN 880 Ca 0.16 2.26 0.02 0.00 -1.57 0.00 0.00 52.86 53.74 3k72 s ASN 880 Cb -0.10 -2.59 0.01 0.00 -0.02 0.00 0.00 41.25 38.55 3k72 s ASN 880 CO -0.06 -0.56 -0.11 0.54 -2.57 0.00 0.00 177.10 174.33 3k72 s VAL 881 N 0.78 1.04 0.35 1.60 0.11 -1.26 -1.72 120.40 121.30 3k72 s VAL 881 Ca 0.60 -0.45 -0.11 0.00 -2.93 0.00 0.00 61.98 59.10 3k72 s VAL 881 Cb -0.35 -0.94 0.03 0.00 -1.53 0.00 0.00 36.38 33.59 3k72 s VAL 881 CO 0.32 0.33 0.64 -0.94 -3.33 0.00 0.00 175.10 172.12 3k72 s SER 882 N 0.51 0.34 0.64 3.54 1.04 -1.12 -4.73 113.70 113.91 3k72 s SER 882 Ca -0.11 -1.23 0.01 0.00 0.48 0.00 0.00 55.95 55.11 3k72 s SER 882 Cb -0.14 0.75 0.09 0.00 0.10 0.00 0.00 66.02 66.82 3k72 s SER 882 CO 0.02 -1.47 0.89 -0.94 0.98 0.00 0.00 173.24 172.72 3k72 s SER 883 N -3.12 4.78 0.49 7.02 1.04 -1.26 -2.38 113.70 120.27 3k72 s SER 883 Ca 0.22 -0.27 0.14 0.00 0.48 0.00 0.00 55.95 56.51 3k72 s SER 883 Cb -0.03 -0.32 1.17 0.00 0.10 0.00 0.00 66.02 66.94 3k72 s SER 883 CO 0.14 -1.54 2.12 -0.08 0.98 0.00 0.00 173.24 174.87 3k72 h GLU 884 N -0.23 0.14 -1.13 4.02 4.81 -1.88 -2.36 114.58 117.94 3k72 h GLU 884 Ca -0.38 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3k72 h GLU 884 Cb 1.28 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3k72 h GLU 884 CO 0.45 0.09 0.00 0.09 -0.73 0.00 0.00 179.01 178.91 3k72 n ASN 885 N -4.52 3.17 -0.77 1.04 3.02 -1.26 -4.82 115.26 111.12 3k72 n ASN 885 Ca -0.01 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 3k72 n ASN 885 Cb 0.10 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3k72 n ASN 885 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3k72 n ASN 886 N 0.62 -5.09 -4.05 6.41 3.02 -0.89 -4.43 115.26 110.86 3k72 n ASN 886 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 3k72 n ASN 886 Cb 0.49 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.55 3k72 n ASN 886 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k72 s THR 887 N 0.00 3.32 -0.53 3.41 -4.23 -1.26 -4.21 115.64 112.14 3k72 s THR 887 Ca 0.00 -2.97 0.19 0.00 -1.18 0.00 0.00 61.69 57.73 3k72 s THR 887 Cb 0.00 -3.21 0.19 0.00 1.34 0.00 0.00 72.50 70.82 3k72 s THR 887 CO 0.00 -0.83 1.59 -2.65 -0.54 0.00 0.00 174.62 172.18 3k72 n PRO 888 N 3.49 0.13 0.00 3.99 -0.02 -1.26 -4.87 135.00 136.45 3k72 n PRO 888 Ca 0.06 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3k72 n PRO 888 Cb 0.37 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3k72 n PRO 888 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3k72 n ARG 889 N -2.06 0.26 -0.01 -0.52 1.74 -1.26 -5.14 116.66 109.67 3k72 n ARG 889 Ca 0.01 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.08 3k72 n ARG 889 Cb 0.14 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.58 3k72 n ARG 889 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3k72 h THR 890 N 0.00 0.00 -3.63 0.55 2.02 -2.03 -3.45 112.91 106.37 3k72 h THR 890 Ca 0.00 -0.21 -0.63 0.00 0.77 0.00 0.00 66.41 66.33 3k72 h THR 890 Cb 0.00 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.27 3k72 h THR 890 CO 0.00 0.00 -0.10 -0.55 0.37 0.00 0.00 175.52 175.24 3k72 s SER 891 N -3.94 6.33 0.65 4.18 0.15 -1.26 -5.05 113.70 114.76 3k72 s SER 891 Ca -0.03 0.24 -0.17 0.00 0.70 0.00 0.00 55.95 56.69 3k72 s SER 891 Cb 0.00 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 3k72 s SER 891 CO 0.04 -0.33 1.19 -0.54 1.20 0.00 0.00 173.24 174.80 3k72 s LYS 892 N 2.26 2.68 -0.87 5.44 -0.14 -1.26 -4.96 119.74 122.88 3k72 s LYS 892 Ca 0.18 1.72 0.01 0.00 -1.36 0.00 0.00 55.97 56.52 3k72 s LYS 892 Cb -0.16 -1.90 0.32 0.00 -1.68 0.00 0.00 37.83 34.41 3k72 s LYS 892 CO 0.11 -1.41 1.47 -2.37 -0.76 0.00 0.00 175.35 172.38 3k72 n THR 893 N -2.11 4.91 -3.20 2.17 5.66 -1.26 -5.04 114.28 115.41 3k72 n THR 893 Ca 0.13 -5.82 -0.36 0.00 -3.05 0.00 0.00 64.05 54.94 3k72 n THR 893 Cb 0.50 -1.57 -0.06 0.00 -1.55 0.00 0.00 70.33 67.65 3k72 n THR 893 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3k72 s THR 894 N -4.17 4.68 -0.14 1.09 -4.23 -1.26 -4.24 115.64 107.37 3k72 s THR 894 Ca 0.42 1.15 0.00 0.00 -1.18 0.00 0.00 61.69 62.07 3k72 s THR 894 Cb 0.20 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 70.23 3k72 s THR 894 CO -0.11 0.28 -0.13 0.12 -0.54 0.00 0.00 174.62 174.25 3k72 s PHE 895 N -1.43 2.02 0.25 3.99 5.36 -1.18 -4.92 117.98 122.07 3k72 s PHE 895 Ca 0.39 -1.11 0.07 0.00 -0.96 0.00 0.00 56.93 55.32 3k72 s PHE 895 Cb -0.17 -1.51 -0.05 0.00 -0.34 0.00 0.00 43.02 40.94 3k72 s PHE 895 CO 0.20 -0.63 -0.09 1.14 -1.46 0.00 0.00 175.22 174.38 3k72 s GLN 896 N 1.50 1.46 -0.13 10.12 -2.07 -1.26 -1.51 119.66 127.77 3k72 s GLN 896 Ca 0.04 -1.71 -0.25 0.00 -1.82 0.00 0.00 55.36 51.63 3k72 s GLN 896 Cb -0.13 -1.14 0.06 0.00 -1.09 0.00 0.00 33.01 30.71 3k72 s GLN 896 CO -0.10 0.10 0.61 -0.48 -1.32 0.00 0.00 175.29 174.10 3k72 s LEU 897 N -3.39 -0.35 -0.10 2.60 0.05 -0.97 -5.01 118.68 111.51 3k72 s LEU 897 Ca 0.27 0.90 0.02 0.00 0.05 0.00 0.00 54.13 55.37 3k72 s LEU 897 Cb 0.02 2.20 -0.01 0.00 -2.05 0.00 0.00 46.19 46.34 3k72 s LEU 897 CO 0.10 -0.40 -0.16 -0.70 -0.55 0.00 0.00 176.35 174.64 3k72 s GLU 898 N -0.48 3.07 -0.04 1.48 2.12 -1.26 -2.50 118.70 121.10 3k72 s GLU 898 Ca -0.06 -0.74 0.06 0.00 0.36 0.00 0.00 54.97 54.60 3k72 s GLU 898 Cb -0.03 -2.48 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 3k72 s GLU 898 CO 0.05 0.31 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.34 3k72 s LEU 899 N 0.08 2.23 0.17 2.70 1.43 -0.75 -4.98 118.68 119.56 3k72 s LEU 899 Ca -0.07 -0.41 -0.32 0.00 -1.03 0.00 0.00 54.13 52.31 3k72 s LEU 899 Cb -0.15 -1.40 -0.11 0.00 0.03 0.00 0.00 46.19 44.56 3k72 s LEU 899 CO 0.05 0.31 1.65 -2.84 0.23 0.00 0.00 176.35 175.75 3k72 s PRO 900 N -0.55 4.18 -0.08 1.29 0.02 -1.26 -1.77 135.00 136.82 3k72 s PRO 900 Ca 0.08 2.47 0.01 0.00 0.02 0.00 0.00 61.00 63.58 3k72 s PRO 900 Cb -0.11 -3.18 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 3k72 s PRO 900 CO 0.00 -0.68 -0.11 0.54 -0.33 0.00 0.00 177.00 176.42 3k72 s VAL 901 N 1.35 3.32 0.08 3.83 0.11 -0.79 -4.70 120.40 123.59 3k72 s VAL 901 Ca 0.73 -0.61 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 3k72 s VAL 901 Cb -0.46 -2.35 -0.00 0.00 -1.53 0.00 0.00 36.38 32.04 3k72 s VAL 901 CO 0.32 0.57 0.00 0.29 -3.33 0.00 0.00 175.10 172.95 3k72 n LYS 902 N 2.67 1.72 -3.80 1.54 5.02 -1.10 -4.49 118.16 119.73 3k72 n LYS 902 Ca -0.18 -0.57 -0.13 0.00 -2.02 0.00 0.00 58.31 55.42 3k72 n LYS 902 Cb 0.53 0.17 -0.10 0.00 -0.02 0.00 0.00 35.03 35.60 3k72 n LYS 902 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3k72 s TYR 903 N -1.33 -0.19 0.37 2.13 2.02 -0.51 -1.50 117.35 118.34 3k72 s TYR 903 Ca 0.00 0.42 -0.25 0.00 -0.37 0.00 0.00 57.07 56.88 3k72 s TYR 903 Cb 0.00 0.07 -0.10 0.00 -0.40 0.00 0.00 41.96 41.53 3k72 s TYR 903 CO 0.00 -0.23 1.00 0.00 -1.57 0.00 0.00 175.55 174.75 3k72 s ALA 904 N -0.55 3.13 -0.10 3.71 0.00 -0.66 -1.91 121.76 125.38 3k72 s ALA 904 Ca -0.07 0.61 -0.14 0.00 0.00 0.00 0.00 51.96 52.36 3k72 s ALA 904 Cb -0.04 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.89 3k72 s ALA 904 CO 0.02 -0.04 0.37 0.08 0.00 0.00 0.00 175.76 176.19 3k72 s VAL 905 N -1.69 0.02 -0.34 0.00 1.01 -0.57 -4.69 120.40 114.14 3k72 s VAL 905 Ca 0.55 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 3k72 s VAL 905 Cb -0.20 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.66 3k72 s VAL 905 CO 0.25 -0.08 0.09 -0.47 0.00 0.00 0.00 175.10 174.90 3k72 s TYR 906 N -0.29 3.30 -0.26 5.22 6.14 -1.26 -3.30 117.35 126.90 3k72 s TYR 906 Ca -0.04 -1.69 0.01 0.00 0.64 0.00 0.00 57.07 55.99 3k72 s TYR 906 Cb -0.03 -2.37 0.07 0.00 0.42 0.00 0.00 41.96 40.04 3k72 s TYR 906 CO 0.02 -0.79 -0.04 0.99 0.64 0.00 0.00 175.55 176.37 3k72 s THR 907 N 1.33 1.66 0.16 4.34 2.01 -1.26 -1.70 115.64 122.17 3k72 s THR 907 Ca -0.01 -1.43 0.10 0.00 0.31 0.00 0.00 61.69 60.66 3k72 s THR 907 Cb -0.20 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 3k72 s THR 907 CO 0.01 -0.20 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.82 3k72 s VAL 908 N 1.31 2.17 -0.13 3.82 1.01 -0.91 -3.78 120.40 123.90 3k72 s VAL 908 Ca -0.03 -1.89 -0.09 0.00 0.00 0.00 0.00 61.98 59.97 3k72 s VAL 908 Cb -0.19 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.25 3k72 s VAL 908 CO -0.08 -0.09 0.32 0.54 0.00 0.00 0.00 175.10 175.80 3k72 s VAL 909 N -1.51 -0.02 0.32 2.92 0.11 0.87 -1.63 120.40 121.45 3k72 s VAL 909 Ca 0.17 0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.36 3k72 s VAL 909 Cb -0.08 -0.47 -0.06 0.00 -1.53 0.00 0.00 36.38 34.23 3k72 s VAL 909 CO 0.08 0.03 -0.06 -0.55 -3.33 0.00 0.00 175.10 171.26 3k72 s SER 910 N 0.82 3.25 -0.62 3.54 0.15 -0.29 -4.37 113.70 116.19 3k72 s SER 910 Ca -0.05 -1.22 -0.13 0.00 0.70 0.00 0.00 55.95 55.24 3k72 s SER 910 Cb -0.06 -0.26 0.16 0.00 -1.71 0.00 0.00 66.02 64.14 3k72 s SER 910 CO -0.06 -0.31 0.55 -0.55 1.20 0.00 0.00 173.24 174.08 3k72 s SER 911 N -3.54 6.23 0.39 5.45 0.15 -1.26 -2.09 113.70 119.03 3k72 s SER 911 Ca 0.32 -2.15 -0.24 0.00 0.70 0.00 0.00 55.95 54.57 3k72 s SER 911 Cb 0.04 -2.15 -0.12 0.00 -1.71 0.00 0.00 66.02 62.08 3k72 s SER 911 CO 0.15 -0.71 0.81 1.57 1.20 0.00 0.00 173.24 176.25 3k72 n HIS 912 N 4.69 0.46 1.55 3.44 -0.00 -0.21 -4.79 115.22 120.36 3k72 n HIS 912 Ca -0.03 0.61 0.00 0.00 0.46 0.00 0.00 57.72 58.76 3k72 n HIS 912 Cb 0.42 -2.13 0.00 0.00 -0.12 0.00 0.00 29.99 28.17 3k72 n HIS 912 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 3k72 n GLU 913 N 0.42 0.83 -1.95 1.57 0.28 -1.26 -3.66 120.64 116.87 3k72 n GLU 913 Ca 0.11 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.73 3k72 n GLU 913 Cb 0.38 -1.06 -0.01 0.00 1.43 0.00 0.00 31.44 32.18 3k72 n GLU 913 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3k72 n GLN 914 N -0.42 4.17 -5.00 3.44 6.02 -1.26 -4.95 117.38 119.38 3k72 n GLN 914 Ca 0.00 -3.35 -0.32 0.00 -0.01 0.00 0.00 57.00 53.32 3k72 n GLN 914 Cb 0.03 -2.50 -0.14 0.00 1.02 0.00 0.00 30.24 28.65 3k72 n GLN 914 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3k72 s PHE 915 N -1.68 2.62 -0.92 1.08 5.36 -1.24 -4.25 117.98 118.94 3k72 s PHE 915 Ca 0.54 -0.39 -0.21 0.00 -0.96 0.00 0.00 56.93 55.91 3k72 s PHE 915 Cb 0.23 -1.64 0.09 0.00 -0.34 0.00 0.00 43.02 41.37 3k72 s PHE 915 CO -0.13 0.01 1.22 0.99 -1.46 0.00 0.00 175.22 175.85 3k72 s THR 916 N -0.42 4.37 -0.61 0.12 2.01 -1.18 -4.95 115.64 114.98 3k72 s THR 916 Ca 0.05 -1.09 -0.12 0.00 0.31 0.00 0.00 61.69 60.84 3k72 s THR 916 Cb -0.12 -4.87 0.16 0.00 0.01 0.00 0.00 72.50 67.68 3k72 s THR 916 CO 0.02 -1.66 0.52 -0.75 -0.69 0.00 0.00 174.62 172.06 3k72 s LYS 917 N 3.72 2.95 0.00 4.92 2.20 -1.26 -4.45 119.74 127.83 3k72 s LYS 917 Ca 0.36 -2.04 0.01 0.00 -0.36 0.00 0.00 55.97 53.94 3k72 s LYS 917 Cb -0.05 -4.15 0.01 0.00 -1.51 0.00 0.00 37.83 32.13 3k72 s LYS 917 CO -0.06 -1.26 0.53 2.48 -0.36 0.00 0.00 175.35 176.68 3k72 n TYR 918 N 4.57 0.00 -1.07 4.03 0.18 -1.25 -4.92 117.16 118.70 3k72 n TYR 918 Ca -0.02 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.41 3k72 n TYR 918 Cb 0.42 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.37 3k72 n TYR 918 CO 0.00 0.00 0.00 1.47 -2.08 0.00 0.00 176.86 176.25 3k72 n LEU 919 N 0.06 -1.60 -3.55 -3.48 -0.00 -1.16 -4.99 117.00 102.27 3k72 n LEU 919 Ca 0.01 0.77 -0.07 0.00 -0.00 0.00 0.00 56.01 56.72 3k72 n LEU 919 Cb 0.03 -0.72 -0.02 0.00 -0.00 0.00 0.00 43.42 42.70 3k72 n LEU 919 CO 0.01 -2.82 0.84 0.54 -0.00 0.00 0.00 177.39 175.96 3k72 s ASN 920 N -0.79 -0.26 0.58 1.45 4.22 0.01 -4.90 114.94 115.24 3k72 s ASN 920 Ca 0.49 0.05 0.37 0.00 -2.14 0.00 0.00 52.86 51.62 3k72 s ASN 920 Cb -0.62 0.27 1.73 0.00 1.28 0.00 0.00 41.25 43.90 3k72 s ASN 920 CO 0.47 -0.41 2.10 -0.26 -2.04 0.00 0.00 177.10 176.96 3k72 h PHE 921 N 2.07 0.00 -1.12 1.54 0.04 -1.90 -3.38 116.94 114.19 3k72 h PHE 921 Ca -0.16 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.25 3k72 h PHE 921 Cb 1.20 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.30 3k72 h PHE 921 CO 0.27 0.00 0.94 -1.54 -0.60 0.00 0.00 178.31 177.38 3k72 s SER 922 N -5.41 5.23 -0.43 2.17 1.04 -1.26 -3.30 113.70 111.75 3k72 s SER 922 Ca -0.01 -0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.08 3k72 s SER 922 Cb 0.10 -2.55 0.20 0.00 0.10 0.00 0.00 66.02 63.88 3k72 s SER 922 CO 0.48 -2.59 0.43 1.21 0.98 0.00 0.00 173.24 173.76 3k72 n GLU 923 N 8.96 0.57 -0.09 4.02 4.07 -1.23 -4.94 120.64 132.00 3k72 n GLU 923 Ca 0.34 -3.32 -0.22 0.00 -0.06 0.00 0.00 57.16 53.90 3k72 n GLU 923 Cb 0.49 -1.55 -0.12 0.00 -0.06 0.00 0.00 31.44 30.19 3k72 n GLU 923 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3k72 h SER 924 N 4.94 0.04 -4.84 4.31 4.64 -1.87 -3.43 113.55 117.33 3k72 h SER 924 Ca 0.18 -0.57 -0.60 0.00 -0.47 0.00 0.00 61.79 60.34 3k72 h SER 924 Cb 0.88 -0.01 -0.11 0.00 -0.31 0.00 0.00 62.40 62.84 3k72 h SER 924 CO 0.44 1.51 -0.44 -0.62 -0.87 0.00 0.00 176.83 176.86 3k72 n GLU 925 N -4.35 0.87 -3.45 4.77 4.71 -1.26 -5.09 120.64 116.84 3k72 n GLU 925 Ca -0.31 -3.38 -0.44 0.00 -0.01 0.00 0.00 57.16 53.02 3k72 n GLU 925 Cb 0.71 0.94 -0.04 0.00 -1.01 0.00 0.00 31.44 32.04 3k72 n GLU 925 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3k72 s GLU 926 N -3.67 3.34 0.00 3.49 2.02 -1.26 -5.00 118.70 117.62 3k72 s GLU 926 Ca 0.01 -2.56 0.00 0.00 0.02 0.00 0.00 54.97 52.44 3k72 s GLU 926 Cb 0.00 -4.23 0.00 0.00 0.10 0.00 0.00 34.13 30.00 3k72 s GLU 926 CO 0.01 -1.25 0.00 1.63 0.02 0.00 0.00 175.26 175.66 3k72 n LYS 927 N 3.70 2.14 0.07 1.61 5.02 -1.26 -4.80 118.16 124.63 3k72 n LYS 927 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3k72 n LYS 927 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 3k72 n LYS 927 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3k72 n GLU 928 N 0.00 0.00 -3.60 1.97 0.28 -1.26 -3.01 120.64 115.01 3k72 n GLU 928 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 3k72 n GLU 928 Cb 0.00 -0.25 -0.07 0.00 1.43 0.00 0.00 31.44 32.55 3k72 n GLU 928 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3k72 s SER 929 N -5.36 5.85 -0.34 -1.84 0.15 -1.26 -2.88 113.70 108.02 3k72 s SER 929 Ca 0.00 -3.16 0.07 0.00 0.70 0.00 0.00 55.95 53.56 3k72 s SER 929 Cb 0.00 -1.95 0.45 0.00 -1.71 0.00 0.00 66.02 62.81 3k72 s SER 929 CO 0.00 -0.34 1.16 1.57 1.20 0.00 0.00 173.24 176.84 3k72 n HIS 930 N 3.14 2.94 -0.17 3.44 -0.00 -1.26 -4.94 115.22 118.37 3k72 n HIS 930 Ca 0.14 -2.50 -0.07 0.00 0.46 0.00 0.00 57.72 55.75 3k72 n HIS 930 Cb 0.39 -0.26 -0.01 0.00 -0.12 0.00 0.00 29.99 29.99 3k72 n HIS 930 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 3k72 n VAL 931 N -0.64 0.00 -2.68 3.57 3.14 -1.26 -4.61 118.33 115.86 3k72 n VAL 931 Ca 0.42 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.55 3k72 n VAL 931 Cb 0.87 -0.03 0.02 0.00 -1.06 0.00 0.00 33.84 33.64 3k72 n VAL 931 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3k72 s ALA 932 N 0.18 3.52 -0.20 1.55 0.00 -1.21 -4.89 121.76 120.71 3k72 s ALA 932 Ca 0.10 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 3k72 s ALA 932 Cb -0.15 -2.38 0.07 0.00 0.00 0.00 0.00 23.12 20.66 3k72 s ALA 932 CO 0.08 -0.59 0.08 1.41 0.00 0.00 0.00 175.76 176.74 3k72 s MET 933 N -4.78 0.26 -0.52 0.00 1.75 -1.26 -3.44 119.30 111.31 3k72 s MET 933 Ca 0.51 -0.26 -0.13 0.00 -1.25 0.00 0.00 55.69 54.55 3k72 s MET 933 Cb -0.10 -1.83 0.13 0.00 2.84 0.00 0.00 34.83 35.86 3k72 s MET 933 CO 0.42 -0.72 0.45 -1.01 -0.65 0.00 0.00 175.02 173.51 3k72 s HIS 934 N 2.04 3.32 -0.20 4.11 3.76 -0.84 -3.10 115.29 124.38 3k72 s HIS 934 Ca 0.02 -1.52 -0.16 0.00 -0.15 0.00 0.00 55.06 53.25 3k72 s HIS 934 Cb -0.16 -3.69 -0.04 0.00 1.11 0.00 0.00 32.58 29.80 3k72 s HIS 934 CO -0.13 -1.01 0.39 0.50 -0.85 0.00 0.00 174.74 173.64 3k72 s ARG 935 N 1.48 4.18 -0.12 1.40 3.52 -1.26 -2.49 118.95 125.65 3k72 s ARG 935 Ca 0.04 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.84 3k72 s ARG 935 Cb -0.28 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.57 3k72 s ARG 935 CO 0.01 -0.02 -0.15 0.71 -0.81 0.00 0.00 175.30 175.05 3k72 s TYR 936 N 1.25 2.77 -0.06 5.12 1.51 -1.12 -1.04 117.35 125.77 3k72 s TYR 936 Ca 0.19 -0.69 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 3k72 s TYR 936 Cb -0.15 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 3k72 s TYR 936 CO 0.08 -0.23 -0.13 -0.65 -1.11 0.00 0.00 175.55 173.50 3k72 s GLN 937 N 0.30 2.65 0.09 -0.62 -0.21 -0.89 -2.35 119.66 118.63 3k72 s GLN 937 Ca -0.11 -0.68 0.02 0.00 0.02 0.00 0.00 55.36 54.61 3k72 s GLN 937 Cb -0.16 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 3k72 s GLN 937 CO 0.06 0.57 -0.07 0.54 -2.12 0.00 0.00 175.29 174.27 3k72 s VAL 938 N -0.59 0.71 -0.21 1.09 0.11 -1.22 -1.13 120.40 119.15 3k72 s VAL 938 Ca 0.08 -1.71 -0.29 0.00 -2.93 0.00 0.00 61.98 57.13 3k72 s VAL 938 Cb -0.11 -1.41 0.14 0.00 -1.53 0.00 0.00 36.38 33.47 3k72 s VAL 938 CO 0.01 -0.72 1.10 0.54 -3.33 0.00 0.00 175.10 172.70 3k72 s ASN 939 N -2.65 -0.30 -0.19 3.54 2.20 -0.65 -3.40 114.94 113.49 3k72 s ASN 939 Ca 0.06 0.39 -0.00 0.00 -0.94 0.00 0.00 52.86 52.37 3k72 s ASN 939 Cb 0.01 0.33 0.01 0.00 -2.00 0.00 0.00 41.25 39.60 3k72 s ASN 939 CO -0.03 -0.23 -0.15 0.54 -2.94 0.00 0.00 177.10 174.29 3k72 s ASN 940 N -0.80 3.49 -0.15 3.54 4.22 -1.25 -2.15 114.94 121.84 3k72 s ASN 940 Ca 0.02 -0.57 0.08 0.00 -2.14 0.00 0.00 52.86 50.25 3k72 s ASN 940 Cb -0.02 -1.56 0.49 0.00 1.28 0.00 0.00 41.25 41.45 3k72 s ASN 940 CO -0.03 0.00 1.26 0.18 -2.04 0.00 0.00 177.10 176.47 3k72 n LEU 941 N 4.61 3.88 0.00 3.54 4.32 -0.69 -1.62 117.00 131.04 3k72 n LEU 941 Ca -0.20 -1.97 0.00 0.00 -0.02 0.00 0.00 56.01 53.82 3k72 n LEU 941 Cb 0.50 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 3k72 n LEU 941 CO 0.27 0.48 0.00 0.61 -1.22 0.00 0.00 177.39 177.53 3k72 n GLY 942 N 0.36 -2.46 1.05 -0.72 0.00 -1.17 -4.69 105.19 97.56 3k72 n GLY 942 Ca 0.17 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.93 3k72 n GLY 942 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k72 n GLN 943 N 0.00 0.00 -3.72 1.61 6.02 -1.26 -4.85 117.38 115.18 3k72 n GLN 943 Ca 0.00 -1.49 -0.13 0.00 -0.01 0.00 0.00 57.00 55.38 3k72 n GLN 943 Cb 0.00 -0.17 -0.10 0.00 1.02 0.00 0.00 30.24 30.99 3k72 n GLN 943 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k72 s ARG 944 N 0.00 0.48 0.08 -1.09 0.52 -1.26 -5.05 118.95 112.63 3k72 s ARG 944 Ca 0.18 0.65 -0.31 0.00 -0.52 0.00 0.00 55.73 55.73 3k72 s ARG 944 Cb 0.20 0.19 -0.07 0.00 0.52 0.00 0.00 34.95 35.79 3k72 s ARG 944 CO -0.09 -0.08 1.42 -0.51 0.02 0.00 0.00 175.30 176.06 3k72 s ASP 945 N 0.50 6.81 -0.16 0.23 1.01 -1.26 -4.45 116.67 119.34 3k72 s ASP 945 Ca -0.02 2.28 -0.07 0.00 0.71 0.00 0.00 52.55 55.45 3k72 s ASP 945 Cb -0.04 -2.58 0.07 0.00 1.01 0.00 0.00 42.92 41.38 3k72 s ASP 945 CO -0.03 -0.70 0.36 -1.48 0.21 0.00 0.00 175.17 173.53 3k72 s LEU 946 N 1.65 -0.18 0.52 1.23 0.05 -1.26 -4.95 118.68 115.75 3k72 s LEU 946 Ca 0.65 0.80 -0.21 0.00 0.05 0.00 0.00 54.13 55.42 3k72 s LEU 946 Cb -0.36 1.12 -0.08 0.00 -2.05 0.00 0.00 46.19 44.83 3k72 s LEU 946 CO 0.29 -0.21 0.93 -2.65 -0.55 0.00 0.00 176.35 174.17 3k72 n PRO 947 N 4.73 1.05 -4.19 1.48 -0.02 -1.26 -2.75 135.00 134.05 3k72 n PRO 947 Ca -0.17 0.39 -0.17 0.00 -2.02 0.00 0.00 63.50 61.53 3k72 n PRO 947 Cb 0.52 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 3k72 n PRO 947 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k72 s VAL 948 N -1.45 0.00 -0.25 -1.45 -7.23 -1.19 -4.70 120.40 104.14 3k72 s VAL 948 Ca 0.70 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 3k72 s VAL 948 Cb -0.47 -2.57 0.14 0.00 0.56 0.00 0.00 36.38 34.03 3k72 s VAL 948 CO 0.52 0.00 0.40 -0.55 -0.31 0.00 0.00 175.10 175.16 3k72 s SER 949 N -3.30 0.04 -0.36 4.85 0.15 -0.92 -1.25 113.70 112.91 3k72 s SER 949 Ca 0.36 0.35 -0.22 0.00 0.70 0.00 0.00 55.95 57.14 3k72 s SER 949 Cb 0.01 1.24 0.01 0.00 -1.71 0.00 0.00 66.02 65.57 3k72 s SER 949 CO 0.24 -0.29 0.71 -0.63 1.20 0.00 0.00 173.24 174.47 3k72 s ILE 950 N 2.58 4.81 0.30 6.45 1.01 -0.13 -2.16 121.20 134.06 3k72 s ILE 950 Ca 0.12 0.75 -0.04 0.00 0.00 0.00 0.00 60.65 61.49 3k72 s ILE 950 Cb -0.15 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 3k72 s ILE 950 CO -0.16 -0.37 0.55 0.20 0.00 0.00 0.00 174.94 175.17 3k72 s ASN 951 N 1.81 6.41 0.16 3.58 0.02 -0.44 -1.13 114.94 125.34 3k72 s ASN 951 Ca 0.28 0.67 -0.01 0.00 -1.02 0.00 0.00 52.86 52.77 3k72 s ASN 951 Cb -0.14 -2.12 -0.04 0.00 0.02 0.00 0.00 41.25 38.97 3k72 s ASN 951 CO 0.16 -0.22 0.10 -0.36 0.02 0.00 0.00 177.10 176.79 3k72 s PHE 952 N -2.14 0.95 -0.30 2.20 0.08 -0.69 -1.61 117.98 116.47 3k72 s PHE 952 Ca 0.43 -1.26 0.01 0.00 0.12 0.00 0.00 56.93 56.23 3k72 s PHE 952 Cb -0.11 -0.48 0.15 0.00 -0.57 0.00 0.00 43.02 42.01 3k72 s PHE 952 CO 0.31 -0.58 0.35 -1.58 -0.10 0.00 0.00 175.22 173.63 3k72 s TRP 953 N -4.09 -0.66 -0.23 0.36 0.52 0.17 -2.82 118.94 112.19 3k72 s TRP 953 Ca 0.29 -0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.35 3k72 s TRP 953 Cb 0.07 -0.34 0.03 0.00 -1.15 0.00 0.00 33.47 32.09 3k72 s TRP 953 CO 0.05 -0.95 -0.11 0.08 0.02 0.00 0.00 176.95 176.04 3k72 s VAL 954 N 2.31 2.47 0.57 4.03 1.01 -0.63 -2.39 120.40 127.77 3k72 s VAL 954 Ca 0.10 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 60.70 3k72 s VAL 954 Cb -0.13 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3k72 s VAL 954 CO -0.28 0.22 1.29 -2.65 0.00 0.00 0.00 175.10 173.68 3k72 n PRO 955 N 4.59 1.47 0.00 2.72 -0.02 -1.26 -1.75 135.00 140.74 3k72 n PRO 955 Ca -0.17 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3k72 n PRO 955 Cb 0.46 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3k72 n PRO 955 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3k72 n VAL 956 N -1.29 0.00 -1.57 -1.45 0.31 -0.77 -4.42 118.33 109.13 3k72 n VAL 956 Ca 0.12 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.99 3k72 n VAL 956 Cb 0.45 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.36 3k72 n VAL 956 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k72 n GLU 957 N 0.00 1.16 -3.18 5.55 -0.58 -1.16 -0.83 120.64 121.60 3k72 n GLU 957 Ca 0.00 0.41 -0.17 0.00 -0.42 0.00 0.00 57.16 56.98 3k72 n GLU 957 Cb 0.00 -1.79 -0.06 0.00 -0.57 0.00 0.00 31.44 29.02 3k72 n GLU 957 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3k72 s LEU 958 N 0.76 0.16 -0.91 -4.62 2.96 -0.59 -0.68 118.68 115.75 3k72 s LEU 958 Ca 0.64 -2.32 -0.00 0.00 -0.22 0.00 0.00 54.13 52.23 3k72 s LEU 958 Cb -0.77 0.54 0.00 0.00 0.50 0.00 0.00 46.19 46.46 3k72 s LEU 958 CO 0.57 -0.15 0.76 -3.20 -1.32 0.00 0.00 176.35 173.01 3k72 n ASN 959 N 3.17 -2.20 0.00 3.68 5.15 -1.26 -2.33 115.26 121.47 3k72 n ASN 959 Ca 0.22 -0.46 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 3k72 n ASN 959 Cb 0.50 -3.98 0.00 0.00 -0.53 0.00 0.00 39.78 35.77 3k72 n ASN 959 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 3k72 n GLN 960 N -3.39 0.00 -2.89 1.20 7.27 -1.26 -4.93 117.38 113.38 3k72 n GLN 960 Ca -0.21 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.43 3k72 n GLN 960 Cb 0.62 -1.72 -0.04 0.00 2.41 0.00 0.00 30.24 31.52 3k72 n GLN 960 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3k72 s GLU 961 N 0.00 3.16 0.42 3.69 2.56 -0.99 -5.02 118.70 122.53 3k72 s GLU 961 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 54.97 53.99 3k72 s GLU 961 Cb 0.00 -4.18 -0.10 0.00 2.00 0.00 0.00 34.13 31.86 3k72 s GLU 961 CO 0.00 -1.67 1.24 0.00 -0.56 0.00 0.00 175.26 174.27 3k72 n ALA 962 N 7.44 1.15 -0.06 6.30 0.00 -1.26 -1.55 120.51 132.53 3k72 n ALA 962 Ca -0.03 0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 3k72 n ALA 962 Cb 0.46 -2.24 -0.01 0.00 0.00 0.00 0.00 19.45 17.65 3k72 n ALA 962 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k72 h VAL 963 N 2.02 0.00 -2.97 0.00 2.07 -1.30 -3.38 116.25 112.70 3k72 h VAL 963 Ca -0.47 -0.86 -0.19 0.00 0.82 0.00 0.00 66.70 66.00 3k72 h VAL 963 Cb 1.30 0.00 -0.29 0.00 -1.52 0.00 0.00 31.29 30.78 3k72 h VAL 963 CO 0.60 0.00 -0.46 -1.66 0.02 0.00 0.00 177.57 176.06 3k72 s TRP 964 N -2.01 -0.37 0.59 1.57 1.48 -1.26 -1.71 118.94 117.23 3k72 s TRP 964 Ca -0.11 0.86 0.03 0.00 -1.06 0.00 0.00 56.10 55.81 3k72 s TRP 964 Cb 0.02 0.07 0.06 0.00 -1.16 0.00 0.00 33.47 32.46 3k72 s TRP 964 CO 0.17 -0.25 0.82 -1.64 -4.06 0.00 0.00 176.95 171.98 3k72 s MET 965 N 1.32 2.29 -1.27 3.25 -1.94 -0.80 -4.54 119.30 117.62 3k72 s MET 965 Ca -0.09 -1.05 -0.18 0.00 -1.71 0.00 0.00 55.69 52.66 3k72 s MET 965 Cb -0.10 -2.50 0.03 0.00 2.01 0.00 0.00 34.83 34.27 3k72 s MET 965 CO -0.09 -0.89 0.34 -0.25 -0.01 0.00 0.00 175.02 174.12 3k72 n ASP 966 N -2.41 -1.64 -4.64 3.03 8.00 -1.26 -3.65 116.55 113.97 3k72 n ASP 966 Ca 0.11 -1.21 -0.39 0.00 0.71 0.00 0.00 54.79 54.01 3k72 n ASP 966 Cb 0.60 -1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 40.16 3k72 n ASP 966 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3k72 s VAL 967 N -3.94 5.09 0.33 2.53 1.01 -1.26 -4.51 120.40 119.65 3k72 s VAL 967 Ca 0.25 0.92 0.03 0.00 0.00 0.00 0.00 61.98 63.19 3k72 s VAL 967 Cb -0.14 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3k72 s VAL 967 CO 0.92 0.14 0.10 -1.61 0.00 0.00 0.00 175.10 174.65 3k72 s GLU 968 N 1.90 1.67 -0.17 2.72 2.02 -1.00 -5.01 118.70 120.82 3k72 s GLU 968 Ca 0.23 -1.95 0.01 0.00 0.02 0.00 0.00 54.97 53.27 3k72 s GLU 968 Cb -0.15 -0.56 0.03 0.00 0.10 0.00 0.00 34.13 33.55 3k72 s GLU 968 CO 0.09 -0.33 -0.14 0.54 0.02 0.00 0.00 175.26 175.44 3k72 s VAL 969 N -3.42 1.71 0.37 2.63 0.11 -1.26 -2.00 120.40 118.55 3k72 s VAL 969 Ca 0.33 -0.85 -0.20 0.00 -2.93 0.00 0.00 61.98 58.34 3k72 s VAL 969 Cb 0.06 -1.66 -0.10 0.00 -1.53 0.00 0.00 36.38 33.16 3k72 s VAL 969 CO 0.15 0.37 0.87 -0.55 -3.33 0.00 0.00 175.10 172.61 3k72 s SER 970 N 1.41 6.94 -0.48 3.54 0.15 0.11 -4.96 113.70 120.40 3k72 s SER 970 Ca 0.03 1.56 0.08 0.00 0.70 0.00 0.00 55.95 58.32 3k72 s SER 970 Cb -0.14 -2.49 0.29 0.00 -1.71 0.00 0.00 66.02 61.97 3k72 s SER 970 CO -0.10 -0.26 0.69 1.57 1.20 0.00 0.00 173.24 176.34 3k72 n HIS 971 N -0.36 1.42 -0.94 3.44 -0.00 -1.26 -2.14 115.22 115.38 3k72 n HIS 971 Ca 0.05 -3.83 -0.29 0.00 -0.00 0.00 0.00 57.72 53.65 3k72 n HIS 971 Cb 0.53 -0.44 0.20 0.00 -0.00 0.00 0.00 29.99 30.28 3k72 n HIS 971 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3k72 s PRO 972 N -2.15 0.05 -1.01 1.57 0.02 -1.26 -3.49 135.00 128.72 3k72 s PRO 972 Ca 0.40 0.69 0.00 0.00 0.02 0.00 0.00 61.00 62.11 3k72 s PRO 972 Cb 0.22 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 33.07 3k72 s PRO 972 CO -0.08 -3.03 0.00 1.04 -0.33 0.00 0.00 177.00 174.59 3k72 n GLN 973 N -4.41 -1.69 -3.54 5.54 1.13 -1.26 -4.85 117.38 108.29 3k72 n GLN 973 Ca 0.05 0.78 -0.15 0.00 -1.94 0.00 0.00 57.00 55.74 3k72 n GLN 973 Cb 0.56 -5.08 -0.05 0.00 0.11 0.00 0.00 30.24 25.77 3k72 n GLN 973 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3k72 s ASN 974 N -2.18 -0.52 1.00 1.08 0.01 -1.23 -5.03 114.94 108.07 3k72 s ASN 974 Ca 0.00 0.31 -0.15 0.00 -0.71 0.00 0.00 52.86 52.31 3k72 s ASN 974 Cb 0.00 0.51 0.04 0.00 0.41 0.00 0.00 41.25 42.21 3k72 s ASN 974 CO 0.00 -0.71 0.18 -0.81 -1.51 0.00 0.00 177.10 174.25 3k72 n PRO 975 N 0.48 -0.61 -2.33 -0.60 -0.04 -1.26 -4.82 135.00 125.82 3k72 n PRO 975 Ca -0.18 -0.15 -0.39 0.00 -0.04 0.00 0.00 63.50 62.74 3k72 n PRO 975 Cb 0.60 -1.74 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 3k72 n PRO 975 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3k72 s SER 976 N -1.88 5.79 0.56 3.54 1.04 -1.26 -4.95 113.70 116.54 3k72 s SER 976 Ca 0.55 -0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.70 3k72 s SER 976 Cb -0.18 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3k72 s SER 976 CO 0.68 -2.07 0.87 -0.76 0.98 0.00 0.00 173.24 172.94 3k72 s LEU 977 N 7.19 3.32 -0.18 2.42 1.02 -1.26 -5.07 118.68 126.13 3k72 s LEU 977 Ca 0.50 0.72 -0.12 0.00 0.02 0.00 0.00 54.13 55.24 3k72 s LEU 977 Cb -0.09 -3.57 -0.05 0.00 0.02 0.00 0.00 46.19 42.50 3k72 s LEU 977 CO 0.15 -0.96 0.22 -0.13 0.02 0.00 0.00 176.35 175.64 3k72 s ARG 978 N -4.92 4.23 0.09 1.70 0.52 -1.26 -5.09 118.95 114.22 3k72 s ARG 978 Ca 0.52 -0.05 0.07 0.00 -0.52 0.00 0.00 55.73 55.76 3k72 s ARG 978 Cb -0.10 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 3k72 s ARG 978 CO 0.45 0.26 -0.19 0.00 0.02 0.00 0.00 175.30 175.84 3k72 s SER 980 N -1.87 5.60 -0.05 0.00 0.15 -0.77 -4.90 113.70 111.86 3k72 s SER 980 Ca 0.04 -0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.35 3k72 s SER 980 Cb -0.10 -1.21 0.03 0.00 -1.71 0.00 0.00 66.02 63.03 3k72 s SER 980 CO 0.04 -0.28 0.12 -0.94 1.20 0.00 0.00 173.24 173.38 3k72 s SER 981 N -4.00 -0.08 -0.14 5.45 1.04 -1.26 -2.27 113.70 112.44 3k72 s SER 981 Ca 0.39 0.24 -0.08 0.00 0.48 0.00 0.00 55.95 56.99 3k72 s SER 981 Cb -0.07 0.15 0.05 0.00 0.10 0.00 0.00 66.02 66.25 3k72 s SER 981 CO 0.28 -0.13 0.34 -1.61 0.98 0.00 0.00 173.24 173.10 3k72 s GLU 982 N 0.95 0.32 0.22 4.02 2.02 -0.87 -5.01 118.70 120.36 3k72 s GLU 982 Ca -0.07 0.68 -0.12 0.00 0.02 0.00 0.00 54.97 55.47 3k72 s GLU 982 Cb -0.10 -0.06 -0.07 0.00 0.10 0.00 0.00 34.13 34.00 3k72 s GLU 982 CO -0.04 -0.16 0.58 0.15 0.02 0.00 0.00 175.26 175.81 3k72 s LYS 983 N 1.32 3.90 -0.03 1.61 1.02 -1.26 -1.42 119.74 124.88 3k72 s LYS 983 Ca -0.09 0.42 -0.11 0.00 0.02 0.00 0.00 55.97 56.21 3k72 s LYS 983 Cb -0.09 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.53 3k72 s LYS 983 CO -0.11 0.34 0.24 0.96 -0.92 0.00 0.00 175.35 175.87 3k72 s ILE 984 N -1.73 0.05 -0.23 2.17 -4.36 -1.23 -4.99 121.20 110.90 3k72 s ILE 984 Ca 0.45 -0.45 -0.06 0.00 -0.26 0.00 0.00 60.65 60.33 3k72 s ILE 984 Cb -0.12 -0.51 -0.03 0.00 1.25 0.00 0.00 42.46 43.05 3k72 s ILE 984 CO 0.20 -0.25 0.04 0.00 0.24 0.00 0.00 174.94 175.17 3k72 s ALA 985 N -1.05 3.12 1.35 2.27 0.00 -1.26 -2.70 121.76 123.49 3k72 s ALA 985 Ca -0.11 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 50.60 3k72 s ALA 985 Cb -0.05 -1.95 0.30 0.00 0.00 0.00 0.00 23.12 21.42 3k72 s ALA 985 CO 0.03 -0.32 0.78 -2.30 0.00 0.00 0.00 175.76 173.95 3k72 n PRO 986 N 4.58 -3.97 0.29 0.00 -0.02 -1.26 -4.88 135.00 129.74 3k72 n PRO 986 Ca -0.17 -1.29 0.19 0.00 -2.02 0.00 0.00 63.50 60.22 3k72 n PRO 986 Cb 0.52 -1.52 0.95 0.00 -0.02 0.00 0.00 33.50 33.42 3k72 n PRO 986 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3k72 h PRO 987 N 0.00 0.00 -1.02 0.52 0.13 -1.93 -3.46 132.00 126.24 3k72 h PRO 987 Ca -0.33 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 3k72 h PRO 987 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3k72 h PRO 987 CO 0.20 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 177.84 3k72 n ALA 988 N -2.04 -0.18 -1.04 -0.56 0.00 -1.26 -5.04 120.51 110.39 3k72 n ALA 988 Ca -0.01 0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 3k72 n ALA 988 Cb 0.16 -1.08 0.22 0.00 0.00 0.00 0.00 19.45 18.76 3k72 n ALA 988 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k72 s SER 989 N -2.83 1.34 -0.69 0.00 0.01 -1.26 -4.85 113.70 105.41 3k72 s SER 989 Ca 0.03 0.87 -0.26 0.00 1.31 0.00 0.00 55.95 57.90 3k72 s SER 989 Cb -0.01 -1.30 -0.06 0.00 0.21 0.00 0.00 66.02 64.86 3k72 s SER 989 CO 0.04 -3.89 2.10 -0.62 0.41 0.00 0.00 173.24 171.27 3k72 s ASP 990 N -3.62 4.82 0.49 2.44 2.15 -1.26 -4.77 116.67 116.91 3k72 s ASP 990 Ca 0.69 0.21 0.28 0.00 0.43 0.00 0.00 52.55 54.16 3k72 s ASP 990 Cb -0.14 -2.53 0.97 0.00 -0.30 0.00 0.00 42.92 40.92 3k72 s ASP 990 CO 0.57 -2.84 1.84 2.19 -0.17 0.00 0.00 175.17 176.77 3k72 h PHE 991 N 14.76 0.00 -0.03 -5.34 -5.15 -1.98 -2.59 116.94 116.61 3k72 h PHE 991 Ca -0.12 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.66 3k72 h PHE 991 Cb 1.12 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.27 3k72 h PHE 991 CO 1.09 0.06 -0.21 1.25 -2.00 0.00 0.00 178.31 178.50 3k72 h LEU 992 N 0.00 -0.67 -0.83 2.10 6.46 -1.97 -2.66 115.31 117.74 3k72 h LEU 992 Ca -0.00 0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 3k72 h LEU 992 Cb 0.72 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.89 3k72 h LEU 992 CO 0.01 -0.20 -0.32 0.00 -0.62 0.00 0.00 178.44 177.32 3k72 h ALA 993 N -1.02 0.95 0.32 1.25 0.00 -1.97 -3.23 119.26 115.56 3k72 h ALA 993 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3k72 h ALA 993 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3k72 h ALA 993 CO -0.16 0.39 -0.31 1.25 0.00 0.00 0.00 179.25 180.42 3k72 h HIS 994 N 0.00 -0.86 0.00 0.00 6.17 -1.12 -2.51 115.15 116.83 3k72 h HIS 994 Ca -0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3k72 h HIS 994 Cb 0.92 0.33 0.00 0.00 2.52 0.00 0.00 27.41 31.18 3k72 h HIS 994 CO 0.00 -0.42 0.00 0.44 0.71 0.00 0.00 177.93 178.66 3k72 n ILE 995 N -4.26 0.11 -0.04 6.26 -5.35 -1.09 -2.34 119.36 112.65 3k72 n ILE 995 Ca -0.08 0.03 -0.06 0.00 -0.27 0.00 0.00 62.75 62.37 3k72 n ILE 995 Cb 0.29 -0.57 0.12 0.00 -1.74 0.00 0.00 39.64 37.74 3k72 n ILE 995 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3k72 h GLN 996 N 0.00 0.64 0.23 6.28 4.15 -1.47 -2.61 115.11 122.33 3k72 h GLN 996 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.15 3k72 h GLN 996 Cb 0.32 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 3k72 h GLN 996 CO 0.00 0.85 -0.42 0.87 -1.93 0.00 0.00 178.83 178.20 3k72 h LYS 997 N 0.55 -0.68 -4.06 1.69 1.57 -1.18 -3.42 116.57 111.03 3k72 h LYS 997 Ca 0.07 0.05 -0.49 0.00 -1.87 0.00 0.00 60.65 58.40 3k72 h LYS 997 Cb 0.77 0.15 -0.37 0.00 0.08 0.00 0.00 32.23 32.86 3k72 h LYS 997 CO 0.06 -0.45 -0.79 1.21 -0.57 0.00 0.00 179.45 178.91 3k72 s ASN 998 N -4.10 1.95 0.20 0.86 3.84 -1.01 -5.01 114.94 111.66 3k72 s ASN 998 Ca -0.14 -0.23 0.09 0.00 0.21 0.00 0.00 52.86 52.79 3k72 s ASN 998 Cb 0.04 -0.70 0.47 0.00 -0.55 0.00 0.00 41.25 40.51 3k72 s ASN 998 CO 0.49 -0.14 1.13 -2.65 -2.79 0.00 0.00 177.10 173.14 3k72 n PRO 999 N 4.96 0.06 -1.48 0.43 -0.02 -1.02 -4.35 135.00 133.58 3k72 n PRO 999 Ca -0.11 0.48 -0.38 0.00 -2.02 0.00 0.00 63.50 61.47 3k72 n PRO 999 Cb 0.50 -1.93 0.05 0.00 -0.02 0.00 0.00 33.50 32.10 3k72 n PRO 999 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3k72 n VAL 1000N -1.78 2.69 -3.53 -1.45 0.24 -1.26 -2.84 118.33 110.41 3k72 n VAL 1000Ca -0.01 -0.48 -0.27 0.00 -2.04 0.00 0.00 64.34 61.55 3k72 n VAL 1000Cb 0.25 -0.85 -0.10 0.00 -1.47 0.00 0.00 33.84 31.68 3k72 n VAL 1000CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3k72 n LEU 1001N -0.12 2.01 -4.69 1.34 0.00 0.37 -4.79 117.00 111.13 3k72 n LEU 1001Ca 0.12 -5.02 -0.30 0.00 0.00 0.00 0.00 56.01 50.82 3k72 n LEU 1001Cb 0.48 -0.21 0.20 0.00 0.00 0.00 0.00 43.42 43.89 3k72 n LEU 1001CO 0.50 1.92 0.68 1.51 0.00 0.00 0.00 177.39 182.00 3k72 s ASP 1002N -1.41 1.95 0.08 1.96 1.47 -1.26 -2.94 116.67 116.51 3k72 s ASP 1002Ca 0.33 0.72 0.19 0.00 1.18 0.00 0.00 52.55 54.96 3k72 s ASP 1002Cb 0.07 -1.06 0.78 0.00 -0.34 0.00 0.00 42.92 42.37 3k72 s ASP 1002CO -0.12 -3.50 1.58 0.00 0.68 0.00 0.00 175.17 173.82 3k72 n SER 1004N -1.72 0.28 -0.06 0.00 3.41 -1.26 -3.58 113.62 110.68 3k72 n SER 1004Ca 0.04 0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 59.09 3k72 n SER 1004Cb 0.21 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 3k72 n SER 1004CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3k72 n ILE 1005N -1.80 1.22 -3.74 -1.33 2.08 -1.14 -4.17 119.36 110.48 3k72 n ILE 1005Ca 0.03 0.02 -0.36 0.00 0.56 0.00 0.00 62.75 63.00 3k72 n ILE 1005Cb 0.21 -1.93 -0.07 0.00 -0.75 0.00 0.00 39.64 37.10 3k72 n ILE 1005CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3k72 s ALA 1006N -2.48 3.76 -0.63 -1.39 0.00 -1.23 -4.75 121.76 115.04 3k72 s ALA 1006Ca -0.22 -0.58 -0.35 0.00 0.00 0.00 0.00 51.96 50.81 3k72 s ALA 1006Cb 0.06 -2.14 -0.17 0.00 0.00 0.00 0.00 23.12 20.87 3k72 s ALA 1006CO 0.30 0.38 2.38 0.41 0.00 0.00 0.00 175.76 179.23 3k72 n GLY 1007N 2.65 -0.06 0.00 0.00 0.00 0.14 -4.63 105.19 103.29 3k72 n GLY 1007Ca -0.17 1.03 0.00 0.00 0.00 0.00 0.00 46.02 46.88 3k72 n GLY 1007CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k72 s LEU 1009N 0.00 -0.57 -0.06 0.00 0.20 -0.72 -3.48 118.68 114.06 3k72 s LEU 1009Ca 0.00 0.55 -0.22 0.00 0.69 0.00 0.00 54.13 55.15 3k72 s LEU 1009Cb 0.00 1.11 -0.04 0.00 -0.43 0.00 0.00 46.19 46.83 3k72 s LEU 1009CO 0.00 -0.27 0.65 -0.60 -0.29 0.00 0.00 176.35 175.85 3k72 s ARG 1010N 2.54 4.41 -0.26 1.98 3.52 -0.51 -1.61 118.95 129.03 3k72 s ARG 1010Ca 0.05 0.81 -0.03 0.00 -0.13 0.00 0.00 55.73 56.42 3k72 s ARG 1010Cb -0.14 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 3k72 s ARG 1010CO -0.13 0.14 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.42 3k72 s PHE 1011N 0.55 3.07 -0.79 5.12 0.40 -1.13 -2.05 117.98 123.16 3k72 s PHE 1011Ca 0.35 -1.29 -0.11 0.00 -0.60 0.00 0.00 56.93 55.28 3k72 s PHE 1011Cb -0.18 -2.12 0.21 0.00 0.51 0.00 0.00 43.02 41.44 3k72 s PHE 1011CO 0.17 -0.66 0.69 0.50 0.70 0.00 0.00 175.22 176.63 3k72 s ARG 1012N 1.40 3.35 -0.73 0.44 3.52 -0.96 -1.71 118.95 124.26 3k72 s ARG 1012Ca 0.02 -2.52 -0.21 0.00 -0.13 0.00 0.00 55.73 52.89 3k72 s ARG 1012Cb -0.16 -4.25 0.10 0.00 -1.56 0.00 0.00 34.95 29.08 3k72 s ARG 1012CO -0.02 -1.26 0.97 0.00 -0.81 0.00 0.00 175.30 174.17 3k72 s ASP 1014N 3.64 4.18 -0.07 0.00 1.01 -1.22 -0.96 116.67 123.25 3k72 s ASP 1014Ca 0.23 1.87 -0.03 0.00 0.71 0.00 0.00 52.55 55.33 3k72 s ASP 1014Cb -0.14 -2.51 0.04 0.00 1.01 0.00 0.00 42.92 41.32 3k72 s ASP 1014CO 0.03 -2.25 0.16 -0.69 0.21 0.00 0.00 175.17 172.62 3k72 s VAL 1015N -2.86 -0.13 0.04 -1.27 1.01 -0.38 -4.70 120.40 112.11 3k72 s VAL 1015Ca 0.62 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.63 3k72 s VAL 1015Cb -0.18 -0.27 -0.11 0.00 0.00 0.00 0.00 36.38 35.82 3k72 s VAL 1015CO 0.56 0.10 1.32 1.55 0.00 0.00 0.00 175.10 178.64 3k72 h PRO 1016N 7.64 -0.67 -2.06 2.72 0.13 -1.97 -3.14 132.00 134.65 3k72 h PRO 1016Ca -0.33 0.05 -0.26 0.00 -0.87 0.00 0.00 66.00 64.59 3k72 h PRO 1016Cb 1.13 0.15 -0.32 0.00 0.13 0.00 0.00 31.00 32.09 3k72 h PRO 1016CO 0.32 -0.44 -0.58 0.45 -0.23 0.00 0.00 178.00 177.52 3k72 s SER 1017N -3.28 1.07 -1.06 1.44 0.15 -1.26 -4.06 113.70 106.70 3k72 s SER 1017Ca -0.11 -0.40 -0.18 0.00 0.70 0.00 0.00 55.95 55.96 3k72 s SER 1017Cb 0.02 0.74 -0.07 0.00 -1.71 0.00 0.00 66.02 64.99 3k72 s SER 1017CO 0.34 -0.35 2.07 0.33 1.20 0.00 0.00 173.24 176.83 3k72 n PHE 1018N 5.33 2.53 -1.27 3.44 7.35 -1.11 -4.85 117.46 128.88 3k72 n PHE 1018Ca -0.02 -2.30 -0.41 0.00 -0.76 0.00 0.00 57.45 53.95 3k72 n PHE 1018Cb 0.48 -2.06 -0.00 0.00 0.35 0.00 0.00 39.48 38.25 3k72 n PHE 1018CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3k72 n SER 1019N 6.75 -2.83 -4.76 -2.13 2.88 -1.26 -4.06 113.62 108.21 3k72 n SER 1019Ca 0.51 0.79 -0.38 0.00 -1.33 0.00 0.00 58.87 58.46 3k72 n SER 1019Cb 0.39 -0.86 0.01 0.00 -0.75 0.00 0.00 64.21 63.00 3k72 n SER 1019CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3k72 s VAL 1020N -1.65 2.63 0.00 2.46 1.01 -1.26 -2.73 120.40 120.86 3k72 s VAL 1020Ca 0.58 0.48 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3k72 s VAL 1020Cb -0.62 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3k72 s VAL 1020CO 0.61 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.72 3k72 n GLN 1021N -0.65 0.00 -1.93 2.72 6.02 -0.64 -4.98 117.38 117.93 3k72 n GLN 1021Ca 0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 3k72 n GLN 1021Cb 0.46 -0.82 -0.03 0.00 1.02 0.00 0.00 30.24 30.87 3k72 n GLN 1021CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3k72 s GLU 1022N -0.17 4.03 -0.31 -1.09 2.12 -1.11 -4.84 118.70 117.32 3k72 s GLU 1022Ca 0.00 2.17 0.02 0.00 0.36 0.00 0.00 54.97 57.52 3k72 s GLU 1022Cb 0.00 -4.06 0.39 0.00 0.26 0.00 0.00 34.13 30.72 3k72 s GLU 1022CO 0.00 -1.04 1.68 -1.91 -0.54 0.00 0.00 175.26 173.45 3k72 n GLU 1023N 7.43 1.85 -1.28 4.30 2.13 -1.26 -3.97 120.64 129.84 3k72 n GLU 1023Ca 0.19 -1.93 -0.57 0.00 0.66 0.00 0.00 57.16 55.51 3k72 n GLU 1023Cb 0.43 -1.76 -0.10 0.00 0.27 0.00 0.00 31.44 30.28 3k72 n GLU 1023CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3k72 n LEU 1024N -0.41 0.82 -4.30 4.31 0.00 -1.22 -4.38 117.00 111.82 3k72 n LEU 1024Ca 0.38 0.77 -0.17 0.00 0.00 0.00 0.00 56.01 56.98 3k72 n LEU 1024Cb 1.09 -0.81 -0.10 0.00 0.00 0.00 0.00 43.42 43.59 3k72 n LEU 1024CO 0.41 -0.72 -0.44 1.51 0.00 0.00 0.00 177.39 178.15 3k72 s ASP 1025N 4.59 2.24 -0.04 1.96 -4.77 -1.26 -3.43 116.67 115.96 3k72 s ASP 1025Ca 1.05 -0.96 -0.29 0.00 -3.30 0.00 0.00 52.55 49.05 3k72 s ASP 1025Cb -1.37 -0.09 0.10 0.00 -1.09 0.00 0.00 42.92 40.48 3k72 s ASP 1025CO 0.65 -0.20 0.89 0.72 0.70 0.00 0.00 175.17 177.93 3k72 s PHE 1026N -2.82 -0.38 0.25 2.11 -0.12 -0.99 -4.50 117.98 111.54 3k72 s PHE 1026Ca 0.17 0.36 0.05 0.00 -0.05 0.00 0.00 56.93 57.47 3k72 s PHE 1026Cb -0.01 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 3k72 s PHE 1026CO 0.04 -0.51 -0.04 -0.08 -0.05 0.00 0.00 175.22 174.58 3k72 s THR 1027N -2.58 1.40 -0.01 -4.49 -1.32 -0.91 -2.80 115.64 104.93 3k72 s THR 1027Ca 0.02 -2.09 0.02 0.00 -1.21 0.00 0.00 61.69 58.44 3k72 s THR 1027Cb -0.01 -2.38 -0.00 0.00 -1.51 0.00 0.00 72.50 68.60 3k72 s THR 1027CO -0.06 -0.33 -0.08 -1.48 -2.21 0.00 0.00 174.62 170.46 3k72 s LEU 1028N -3.38 1.98 0.07 9.08 0.05 -1.04 0.05 118.68 125.49 3k72 s LEU 1028Ca 0.28 -0.15 -0.05 0.00 0.05 0.00 0.00 54.13 54.27 3k72 s LEU 1028Cb 0.04 -0.42 -0.02 0.00 -2.05 0.00 0.00 46.19 43.74 3k72 s LEU 1028CO 0.10 0.09 0.07 -1.59 -0.55 0.00 0.00 176.35 174.48 3k72 s LYS 1029N -0.13 0.71 -0.29 1.48 -2.85 -0.85 -1.99 119.74 115.83 3k72 s LYS 1029Ca 0.02 -1.07 -0.23 0.00 -1.00 0.00 0.00 55.97 53.69 3k72 s LYS 1029Cb -0.04 0.27 0.16 0.00 -2.06 0.00 0.00 37.83 36.16 3k72 s LYS 1029CO -0.00 -0.18 1.23 0.20 0.10 0.00 0.00 175.35 176.69 3k72 s GLY 1030N -2.83 0.16 -0.12 0.59 0.00 -1.22 -2.37 107.32 101.52 3k72 s GLY 1030Ca 0.05 3.21 -0.37 0.00 0.00 0.00 0.00 44.72 47.61 3k72 s GLY 1030CO -0.10 2.04 1.73 0.70 0.00 0.00 0.00 173.10 177.48 3k72 n ASN 1031N 2.17 2.77 -4.52 1.64 3.02 -1.24 -3.33 115.26 115.77 3k72 n ASN 1031Ca -0.13 1.04 -0.42 0.00 -0.03 0.00 0.00 54.58 55.05 3k72 n ASN 1031Cb 0.56 -1.26 -0.09 0.00 -0.61 0.00 0.00 39.78 38.38 3k72 n ASN 1031CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3k72 s LEU 1032N 3.15 4.61 0.41 3.41 0.20 -1.14 -1.91 118.68 127.41 3k72 s LEU 1032Ca 0.93 -0.41 -0.24 0.00 0.69 0.00 0.00 54.13 55.10 3k72 s LEU 1032Cb -0.88 -2.34 -0.08 0.00 -0.43 0.00 0.00 46.19 42.46 3k72 s LEU 1032CO 0.56 -0.42 1.11 -0.55 -0.29 0.00 0.00 176.35 176.76 3k72 s SER 1033N 1.75 6.57 0.00 3.68 0.15 -0.69 -4.27 113.70 120.89 3k72 s SER 1033Ca 0.11 2.18 0.22 0.00 0.70 0.00 0.00 55.95 59.17 3k72 s SER 1033Cb -0.17 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.53 3k72 s SER 1033CO 0.12 -0.63 1.08 0.49 1.20 0.00 0.00 173.24 175.49 3k72 n PHE 1034N -0.11 0.00 -0.04 3.44 3.72 -1.17 -4.58 117.46 118.73 3k72 n PHE 1034Ca 0.05 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.34 3k72 n PHE 1034Cb 0.48 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.97 3k72 n PHE 1034CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3k72 h GLY 1035N 4.87 0.24 2.00 1.37 0.00 -1.87 -2.94 103.07 106.74 3k72 h GLY 1035Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3k72 h GLY 1035CO 0.00 0.12 0.00 -2.67 0.00 0.00 0.00 176.54 173.99 3k72 n TRP 1036N -4.89 0.71 0.10 5.60 4.27 -1.26 -3.16 117.44 118.81 3k72 n TRP 1036Ca -0.05 0.33 0.09 0.00 -3.89 0.00 0.00 57.50 53.99 3k72 n TRP 1036Cb 0.10 -1.04 0.57 0.00 -1.36 0.00 0.00 31.31 29.59 3k72 n TRP 1036CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 3k72 h VAL 1037N 0.00 0.97 0.00 -1.67 2.07 -1.83 -0.63 116.25 115.16 3k72 h VAL 1037Ca 0.00 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.29 3k72 h VAL 1037Cb 0.14 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3k72 h VAL 1037CO 0.00 0.04 -0.84 -0.09 0.02 0.00 0.00 177.57 176.70 3k72 h ARG 1038N 0.21 0.00 -0.73 1.57 2.43 -1.77 -3.34 114.38 112.76 3k72 h ARG 1038Ca 0.12 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.50 3k72 h ARG 1038Cb 0.23 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3k72 h ARG 1038CO -0.02 0.69 0.65 0.37 -1.51 0.00 0.00 179.97 180.14 3k72 h GLN 1039N 0.00 0.00 -0.00 0.20 5.75 -1.30 -0.75 115.11 119.01 3k72 h GLN 1039Ca -0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3k72 h GLN 1039Cb 1.59 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.14 3k72 h GLN 1039CO 0.09 0.00 -0.61 0.44 -2.65 0.00 0.00 178.83 176.10 3k72 n ILE 1040N -3.88 0.00 -3.03 2.39 -6.64 -1.25 -5.03 119.36 101.92 3k72 n ILE 1040Ca 0.15 -0.19 -0.13 0.00 -1.77 0.00 0.00 62.75 60.81 3k72 n ILE 1040Cb 0.91 1.00 0.07 0.00 -1.44 0.00 0.00 39.64 40.17 3k72 n ILE 1040CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 3k72 n LEU 1041N -1.29 -3.88 -3.92 7.28 7.94 -0.29 -5.03 117.00 117.81 3k72 n LEU 1041Ca 0.03 -0.49 -0.11 0.00 -1.11 0.00 0.00 56.01 54.32 3k72 n LEU 1041Cb 0.20 -2.54 -0.00 0.00 0.53 0.00 0.00 43.42 41.62 3k72 n LEU 1041CO 0.26 0.24 0.38 -1.10 -1.11 0.00 0.00 177.39 176.06 3k72 s GLN 1042N -4.80 2.11 0.17 1.96 -0.21 -1.26 -5.14 119.66 112.50 3k72 s GLN 1042Ca 0.09 -1.57 0.04 0.00 0.02 0.00 0.00 55.36 53.94 3k72 s GLN 1042Cb -0.01 0.56 -0.05 0.00 1.00 0.00 0.00 33.01 34.51 3k72 s GLN 1042CO 0.56 -0.95 -0.06 0.15 -2.12 0.00 0.00 175.29 172.88 3k72 s LYS 1043N -2.60 1.15 -1.06 2.91 -0.14 -1.26 -4.82 119.74 113.91 3k72 s LYS 1043Ca 0.21 -1.53 -0.00 0.00 -1.36 0.00 0.00 55.97 53.29 3k72 s LYS 1043Cb -0.03 -0.56 0.00 0.00 -1.68 0.00 0.00 37.83 35.56 3k72 s LYS 1043CO 0.15 -0.01 0.05 1.17 -0.76 0.00 0.00 175.35 175.95 3k72 n LYS 1044N -0.27 -1.27 -1.15 1.68 4.81 -1.26 -5.01 118.16 115.69 3k72 n LYS 1044Ca -0.08 0.60 -0.30 0.00 -0.87 0.00 0.00 58.31 57.66 3k72 n LYS 1044Cb 0.62 -4.80 0.12 0.00 0.02 0.00 0.00 35.03 31.00 3k72 n LYS 1044CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3k72 s VAL 1045N -2.67 2.88 -0.09 3.15 0.11 -1.26 -4.80 120.40 117.73 3k72 s VAL 1045Ca 0.02 0.29 -0.04 0.00 -2.93 0.00 0.00 61.98 59.32 3k72 s VAL 1045Cb -0.01 -2.70 0.05 0.00 -1.53 0.00 0.00 36.38 32.18 3k72 s VAL 1045CO 0.03 -0.37 0.18 -0.94 -3.33 0.00 0.00 175.10 170.67 3k72 s SER 1046N -3.29 0.21 -0.05 3.54 1.04 -1.13 -1.33 113.70 112.68 3k72 s SER 1046Ca 0.63 0.39 -0.13 0.00 0.48 0.00 0.00 55.95 57.32 3k72 s SER 1046Cb -0.18 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 3k72 s SER 1046CO 0.57 -0.20 0.33 0.54 0.98 0.00 0.00 173.24 175.47 3k72 s VAL 1047N 1.72 5.18 0.04 5.02 0.11 -0.55 -0.47 120.40 131.45 3k72 s VAL 1047Ca -0.04 0.66 0.09 0.00 -2.93 0.00 0.00 61.98 59.76 3k72 s VAL 1047Cb -0.12 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 31.07 3k72 s VAL 1047CO -0.07 0.56 -0.25 -0.69 -3.33 0.00 0.00 175.10 171.32 3k72 s VAL 1048N -0.81 2.28 -0.06 2.04 1.01 -1.15 -1.43 120.40 122.27 3k72 s VAL 1048Ca 0.21 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.88 3k72 s VAL 1048Cb -0.15 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3k72 s VAL 1048CO 0.10 0.36 -0.19 -0.94 0.00 0.00 0.00 175.10 174.43 3k72 s SER 1049N -1.29 3.62 -0.12 3.32 1.04 -0.85 -4.52 113.70 114.90 3k72 s SER 1049Ca 0.12 -0.35 -0.02 0.00 0.48 0.00 0.00 55.95 56.18 3k72 s SER 1049Cb -0.10 -0.93 -0.03 0.00 0.10 0.00 0.00 66.02 65.06 3k72 s SER 1049CO 0.03 0.28 -0.04 -0.69 0.98 0.00 0.00 173.24 173.80 3k72 s VAL 1050N -0.34 3.95 -0.12 5.02 1.01 -1.00 -2.19 120.40 126.72 3k72 s VAL 1050Ca 0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 3k72 s VAL 1050Cb -0.13 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.59 3k72 s VAL 1050CO 0.02 0.54 -0.10 0.00 0.00 0.00 0.00 175.10 175.56 3k72 s ALA 1051N -0.15 1.48 -0.05 5.51 0.00 -1.00 -0.66 121.76 126.89 3k72 s ALA 1051Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3k72 s ALA 1051Cb -0.13 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.09 3k72 s ALA 1051CO 0.02 -0.37 -0.03 -1.83 0.00 0.00 0.00 175.76 173.56 3k72 s GLU 1052N 1.57 0.76 0.22 0.00 -1.05 -0.63 -1.04 118.70 118.53 3k72 s GLU 1052Ca 0.04 -0.05 -0.17 0.00 -0.15 0.00 0.00 54.97 54.64 3k72 s GLU 1052Cb -0.13 -0.87 -0.08 0.00 -0.44 0.00 0.00 34.13 32.61 3k72 s GLU 1052CO -0.08 -0.14 0.68 -1.50 0.95 0.00 0.00 175.26 175.16 3k72 s ILE 1053N 1.20 4.67 0.18 1.83 2.07 -0.67 -1.33 121.20 129.16 3k72 s ILE 1053Ca -0.07 1.08 0.00 0.00 -1.41 0.00 0.00 60.65 60.25 3k72 s ILE 1053Cb -0.14 -3.77 -0.04 0.00 0.13 0.00 0.00 42.46 38.64 3k72 s ILE 1053CO -0.02 0.13 0.06 0.42 -1.91 0.00 0.00 174.94 173.62 3k72 s THR 1054N -1.61 0.34 0.07 4.00 -4.23 -0.92 -4.88 115.64 108.41 3k72 s THR 1054Ca 0.44 -1.96 -0.27 0.00 -1.18 0.00 0.00 61.69 58.72 3k72 s THR 1054Cb -0.15 -2.24 0.09 0.00 1.34 0.00 0.00 72.50 71.54 3k72 s THR 1054CO 0.20 -0.32 0.83 0.72 -0.54 0.00 0.00 174.62 175.51 3k72 s PHE 1055N -3.90 -0.34 -0.38 3.99 -0.12 -1.26 -2.16 117.98 113.81 3k72 s PHE 1055Ca 0.29 0.15 -0.34 0.00 -0.05 0.00 0.00 56.93 56.97 3k72 s PHE 1055Cb 0.07 0.57 -0.11 0.00 -0.63 0.00 0.00 43.02 42.91 3k72 s PHE 1055CO 0.06 -0.69 2.23 -3.47 -0.05 0.00 0.00 175.22 173.30 3k72 n ASP 1056N -0.32 2.08 -0.29 1.98 2.03 -1.26 -4.77 116.55 116.00 3k72 n ASP 1056Ca -0.10 0.34 0.27 0.00 0.52 0.00 0.00 54.79 55.82 3k72 n ASP 1056Cb 0.62 -1.27 0.61 0.00 -0.72 0.00 0.00 41.12 40.36 3k72 n ASP 1056CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k72 h THR 1057N 7.17 0.51 -3.38 5.18 1.03 -2.00 -3.26 112.91 118.17 3k72 h THR 1057Ca -0.26 -0.07 -0.55 0.00 -0.01 0.00 0.00 66.41 65.51 3k72 h THR 1057Cb 1.32 0.28 -0.04 0.00 -1.07 0.00 0.00 68.15 68.64 3k72 h THR 1057CO 1.04 0.04 -0.01 -0.55 -0.01 0.00 0.00 175.52 176.03 3k72 s SER 1058N -5.34 6.95 0.00 0.00 0.15 -1.26 -4.29 113.70 109.91 3k72 s SER 1058Ca -0.07 1.22 0.00 0.00 0.70 0.00 0.00 55.95 57.81 3k72 s SER 1058Cb 0.24 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 3k72 s SER 1058CO 0.79 0.12 0.00 0.52 1.20 0.00 0.00 173.24 175.88 3k72 n VAL 1059N 1.00 0.00 -4.49 4.45 0.31 -1.26 -4.93 118.33 113.41 3k72 n VAL 1059Ca -0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.02 3k72 n VAL 1059Cb 0.51 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.34 3k72 n VAL 1059CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3k72 s TYR 1060N -0.06 2.37 0.00 3.52 2.02 -1.23 -1.42 117.35 122.55 3k72 s TYR 1060Ca 0.00 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 3k72 s TYR 1060Cb 0.00 -1.21 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 3k72 s TYR 1060CO 0.00 0.64 0.00 -1.13 -1.57 0.00 0.00 175.55 173.49 3k72 n SER 1061N -0.73 0.00 -4.78 2.29 3.41 -0.80 -4.47 113.62 108.55 3k72 n SER 1061Ca -0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.19 3k72 n SER 1061Cb 0.62 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 3k72 n SER 1061CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3k72 s GLN 1062N -1.64 4.45 -0.12 4.33 0.74 -1.26 -1.52 119.66 124.65 3k72 s GLN 1062Ca 0.00 1.40 -0.23 0.00 0.05 0.00 0.00 55.36 56.58 3k72 s GLN 1062Cb 0.00 -2.72 -0.27 0.00 1.10 0.00 0.00 33.01 31.12 3k72 s GLN 1062CO 0.00 0.14 0.66 1.37 -0.55 0.00 0.00 175.29 176.91 3k72 h LEU 1063N 2.96 0.20 0.00 3.68 8.10 -1.93 -3.41 115.31 124.91 3k72 h LEU 1063Ca -0.47 -0.87 0.00 0.00 0.11 0.00 0.00 57.88 56.64 3k72 h LEU 1063Cb 1.20 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.35 3k72 h LEU 1063CO 0.64 1.32 0.00 -0.81 -4.11 0.00 0.00 178.44 175.48 3k72 n PRO 1064N -4.30 0.96 0.00 0.17 -0.04 -1.26 -4.79 135.00 125.74 3k72 n PRO 1064Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3k72 n PRO 1064Cb 0.69 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 3k72 n PRO 1064CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k72 n GLY 1065N 0.71 1.91 3.19 0.55 0.00 -1.26 -4.98 105.19 105.30 3k72 n GLY 1065Ca 0.12 -0.73 0.04 0.00 0.00 0.00 0.00 46.02 45.45 3k72 n GLY 1065CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k72 s GLN 1066N 0.00 0.53 -0.23 1.61 -0.21 -1.26 -4.99 119.66 115.10 3k72 s GLN 1066Ca 0.00 0.97 -0.05 0.00 0.02 0.00 0.00 55.36 56.30 3k72 s GLN 1066Cb 0.00 0.54 -0.01 0.00 1.00 0.00 0.00 33.01 34.54 3k72 s GLN 1066CO 0.00 -0.54 0.00 -1.21 -2.12 0.00 0.00 175.29 171.42 3k72 s GLU 1067N 2.87 3.46 -0.02 2.91 2.02 -1.26 -4.96 118.70 123.71 3k72 s GLU 1067Ca 0.16 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.60 3k72 s GLU 1067Cb -0.14 -3.14 0.12 0.00 0.10 0.00 0.00 34.13 31.07 3k72 s GLU 1067CO -0.20 -0.21 0.86 0.00 0.02 0.00 0.00 175.26 175.73 3k72 n ALA 1068N 4.85 2.63 0.33 5.21 0.00 -1.26 -4.01 120.51 128.26 3k72 n ALA 1068Ca -0.17 -0.27 0.04 0.00 0.00 0.00 0.00 53.44 53.03 3k72 n ALA 1068Cb 0.51 -1.01 0.19 0.00 0.00 0.00 0.00 19.45 19.13 3k72 n ALA 1068CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k72 n PHE 1069N 0.01 0.00 -1.27 0.00 3.01 -1.26 -1.97 117.46 115.97 3k72 n PHE 1069Ca 0.04 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.19 3k72 n PHE 1069Cb 0.29 -0.38 0.10 0.00 -0.01 0.00 0.00 39.48 39.48 3k72 n PHE 1069CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k72 n MET 1070N -1.38 2.54 -2.84 -1.08 0.00 -1.25 -0.09 117.12 113.02 3k72 n MET 1070Ca 0.03 -3.14 -0.05 0.00 0.00 0.00 0.00 57.70 54.55 3k72 n MET 1070Cb 0.08 -2.23 0.00 0.00 0.00 0.00 0.00 33.22 31.07 3k72 n MET 1070CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3k72 s ARG 1071N -3.60 1.04 0.90 3.17 3.52 -0.83 -1.67 118.95 121.48 3k72 s ARG 1071Ca 0.61 -1.04 -0.11 0.00 -0.13 0.00 0.00 55.73 55.07 3k72 s ARG 1071Cb 0.49 -0.10 0.19 0.00 -1.56 0.00 0.00 34.95 33.97 3k72 s ARG 1071CO 0.02 -1.32 1.23 0.00 -0.81 0.00 0.00 175.30 174.43 3k72 s ALA 1072N 0.94 2.69 -0.11 6.12 0.00 -0.21 -4.91 121.76 126.27 3k72 s ALA 1072Ca 0.29 -1.45 -0.26 0.00 0.00 0.00 0.00 51.96 50.54 3k72 s ALA 1072Cb -0.00 -2.49 0.06 0.00 0.00 0.00 0.00 23.12 20.68 3k72 s ALA 1072CO -0.06 -2.21 0.62 -1.14 0.00 0.00 0.00 175.76 172.97 3k72 s GLN 1073N -5.68 0.90 -0.06 0.00 0.74 -1.26 -2.37 119.66 111.93 3k72 s GLN 1073Ca 0.73 0.42 -0.02 0.00 0.05 0.00 0.00 55.36 56.54 3k72 s GLN 1073Cb -0.03 0.43 0.03 0.00 1.10 0.00 0.00 33.01 34.53 3k72 s GLN 1073CO 0.51 -0.23 0.02 0.99 -0.55 0.00 0.00 175.29 176.03 3k72 s THR 1074N -0.69 0.19 -0.36 -0.34 2.01 -0.93 -4.73 115.64 110.79 3k72 s THR 1074Ca -0.08 0.24 -0.05 0.00 0.31 0.00 0.00 61.69 62.11 3k72 s THR 1074Cb -0.02 -0.39 0.06 0.00 0.01 0.00 0.00 72.50 72.16 3k72 s THR 1074CO 0.06 0.23 0.12 0.28 -0.69 0.00 0.00 174.62 174.62 3k72 s THR 1075N 2.05 3.55 0.36 -0.82 -1.32 -1.26 -2.01 115.64 116.19 3k72 s THR 1075Ca 0.05 -1.44 -0.06 0.00 -1.21 0.00 0.00 61.69 59.03 3k72 s THR 1075Cb -0.12 -3.13 -0.05 0.00 -1.51 0.00 0.00 72.50 67.68 3k72 s THR 1075CO -0.04 -0.32 0.66 -0.89 -2.21 0.00 0.00 174.62 171.81 3k72 s THR 1076N 1.31 4.94 -0.02 5.08 2.01 -0.52 -4.87 115.64 123.58 3k72 s THR 1076Ca 0.00 0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.27 3k72 s THR 1076Cb -0.21 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 3k72 s THR 1076CO 0.00 -0.50 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.49 3k72 s VAL 1077N -2.31 1.98 -0.43 3.82 1.01 -1.26 -1.49 120.40 121.73 3k72 s VAL 1077Ca 0.46 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.42 3k72 s VAL 1077Cb -0.10 -1.65 0.43 0.00 0.00 0.00 0.00 36.38 35.06 3k72 s VAL 1077CO 0.34 0.56 1.24 0.18 0.00 0.00 0.00 175.10 177.41 3k72 n LEU 1078N 2.48 5.10 -4.58 3.92 4.32 -0.44 -3.00 117.00 124.80 3k72 n LEU 1078Ca -0.16 -5.00 -0.41 0.00 -0.02 0.00 0.00 56.01 50.41 3k72 n LEU 1078Cb 0.51 -0.48 -0.03 0.00 -1.62 0.00 0.00 43.42 41.80 3k72 n LEU 1078CO 0.23 2.13 1.37 -0.70 -1.22 0.00 0.00 177.39 179.21 3k72 s GLU 1079N -3.61 3.22 -0.18 3.23 2.12 -1.26 -4.41 118.70 117.81 3k72 s GLU 1079Ca 0.50 0.74 -0.05 0.00 0.36 0.00 0.00 54.97 56.52 3k72 s GLU 1079Cb 0.41 -4.17 0.06 0.00 0.26 0.00 0.00 34.13 30.69 3k72 s GLU 1079CO -0.12 -2.02 0.10 0.15 -0.54 0.00 0.00 175.26 172.83 3k72 s LYS 1080N 5.74 0.07 0.14 4.30 1.02 -1.26 -0.81 119.74 128.94 3k72 s LYS 1080Ca 0.62 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.54 3k72 s LYS 1080Cb -0.14 -1.76 0.02 0.00 -0.52 0.00 0.00 37.83 35.44 3k72 s LYS 1080CO 0.27 -0.69 0.18 0.98 -0.92 0.00 0.00 175.35 175.17 3k72 n TYR 1081N 5.28 -2.75 -0.53 3.18 9.36 -1.21 -4.83 117.16 125.66 3k72 n TYR 1081Ca -0.07 -0.50 0.00 0.00 3.32 0.00 0.00 57.90 60.65 3k72 n TYR 1081Cb 0.49 -0.13 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 3k72 n TYR 1081CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71