#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 0.00 -5.69 3.17 0.87 -2.10 -3.49 113.55 106.32 2kb4 h SER 2 Ca 0.00 -0.84 -0.32 0.00 -1.23 0.00 0.00 61.79 59.40 2kb4 h SER 2 Cb 0.00 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2kb4 h SER 2 CO 0.00 1.17 -0.98 0.47 -0.53 0.00 0.00 176.83 176.96 2kb4 n ASP 3 N -4.54 -4.35 -3.69 6.23 9.92 -1.26 -5.00 116.55 113.86 2kb4 n ASP 3 Ca -0.17 -0.16 -0.05 0.00 -0.53 0.00 0.00 54.79 53.88 2kb4 n ASP 3 Cb 0.55 -1.27 -0.01 0.00 -0.64 0.00 0.00 41.12 39.75 2kb4 n ASP 3 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kb4 s ASN 4 N -1.21 -0.17 -0.40 -2.24 2.20 -1.26 -5.12 114.94 106.74 2kb4 s ASN 4 Ca 0.30 -0.57 -0.09 0.00 -0.94 0.00 0.00 52.86 51.57 2kb4 s ASN 4 Cb -0.03 0.61 0.07 0.00 -2.00 0.00 0.00 41.25 39.90 2kb4 s ASN 4 CO 0.70 -1.14 0.23 0.21 -2.94 0.00 0.00 177.10 174.17 2kb4 s ASN 5 N -2.98 5.58 -0.09 3.54 3.84 -1.26 -4.82 114.94 118.75 2kb4 s ASN 5 Ca 0.13 -1.43 0.12 0.00 0.21 0.00 0.00 52.86 51.88 2kb4 s ASN 5 Cb -0.03 -1.97 0.24 0.00 -0.55 0.00 0.00 41.25 38.94 2kb4 s ASN 5 CO 0.05 -0.49 1.16 0.61 -2.79 0.00 0.00 177.10 175.63 2kb4 n GLY 6 N 4.89 1.05 3.71 1.21 0.00 -1.26 -5.11 105.19 109.69 2kb4 n GLY 6 Ca -0.10 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 2kb4 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb4 s THR 7 N -0.38 4.26 0.22 2.61 -4.23 -1.26 -4.97 115.64 111.89 2kb4 s THR 7 Ca 0.13 1.62 -0.32 0.00 -1.18 0.00 0.00 61.69 61.95 2kb4 s THR 7 Cb 0.22 -4.04 -0.13 0.00 1.34 0.00 0.00 72.50 69.88 2kb4 s THR 7 CO -0.07 0.12 1.49 -2.65 -0.54 0.00 0.00 174.62 172.97 2kb4 n PRO 8 N 4.00 2.15 -3.50 3.99 -0.02 -1.26 -4.98 135.00 135.38 2kb4 n PRO 8 Ca 0.08 0.77 -0.37 0.00 -2.02 0.00 0.00 63.50 61.96 2kb4 n PRO 8 Cb 0.48 -2.48 -0.08 0.00 -0.02 0.00 0.00 33.50 31.39 2kb4 n PRO 8 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kb4 s GLU 9 N 0.07 4.14 0.27 -0.52 2.02 -1.26 -5.04 118.70 118.38 2kb4 s GLU 9 Ca 0.72 0.02 -0.30 0.00 0.02 0.00 0.00 54.97 55.42 2kb4 s GLU 9 Cb -0.64 -3.53 -0.13 0.00 0.10 0.00 0.00 34.13 29.93 2kb4 s GLU 9 CO 0.45 0.02 1.40 -0.35 0.02 0.00 0.00 175.26 176.79 2kb4 n PRO 10 N 4.35 2.12 -2.21 0.39 -0.04 -1.26 -4.88 135.00 133.47 2kb4 n PRO 10 Ca -0.11 0.75 -0.43 0.00 -0.04 0.00 0.00 63.50 63.68 2kb4 n PRO 10 Cb 0.51 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.55 2kb4 n PRO 10 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2kb4 s GLN 11 N -0.76 3.40 -0.33 0.54 0.74 -1.26 -4.95 119.66 117.04 2kb4 s GLN 11 Ca 0.65 1.04 -0.23 0.00 0.05 0.00 0.00 55.36 56.87 2kb4 s GLN 11 Cb -0.62 -4.12 0.00 0.00 1.10 0.00 0.00 33.01 29.38 2kb4 s GLN 11 CO 0.52 -1.78 0.75 0.08 -0.55 0.00 0.00 175.29 174.31 2kb4 s VAL 12 N 6.24 4.80 -0.07 1.34 1.01 -1.26 -5.00 120.40 127.46 2kb4 s VAL 12 Ca 0.67 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 63.60 2kb4 s VAL 12 Cb -0.16 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.10 2kb4 s VAL 12 CO 0.32 -0.32 -0.01 -0.70 0.00 0.00 0.00 175.10 174.39 2kb4 s GLU 13 N 2.94 0.69 0.30 2.72 2.12 -1.26 -4.99 118.70 121.22 2kb4 s GLU 13 Ca 0.30 0.05 0.16 0.00 0.36 0.00 0.00 54.97 55.84 2kb4 s GLU 13 Cb -0.14 -0.98 0.19 0.00 0.26 0.00 0.00 34.13 33.46 2kb4 s GLU 13 CO 0.14 -0.26 1.50 0.00 -0.54 0.00 0.00 175.26 176.10 2kb4 h THR 14 N 6.29 0.85 -0.14 -1.70 1.03 -2.06 -3.47 112.91 113.71 2kb4 h THR 14 Ca -0.24 -2.07 -0.06 0.00 -0.01 0.00 0.00 66.41 64.03 2kb4 h THR 14 Cb 1.13 2.33 -0.02 0.00 -1.07 0.00 0.00 68.15 70.51 2kb4 h THR 14 CO 0.31 0.46 -0.05 0.41 -0.01 0.00 0.00 175.52 176.64 2kb4 n THR 15 N -3.27 0.00 -3.49 0.00 -1.04 -1.26 -4.93 114.28 100.29 2kb4 n THR 15 Ca 0.02 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.86 2kb4 n THR 15 Cb 0.69 -0.77 -0.12 0.00 -1.82 0.00 0.00 70.33 68.31 2kb4 n THR 15 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2kb4 s SER 16 N -2.20 1.07 -0.22 8.00 0.15 -1.26 -5.13 113.70 114.11 2kb4 s SER 16 Ca 0.00 -0.06 -0.06 0.00 0.70 0.00 0.00 55.95 56.53 2kb4 s SER 16 Cb 0.00 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 2kb4 s SER 16 CO 0.00 -0.31 0.04 -0.69 1.20 0.00 0.00 173.24 173.47 2kb4 s VAL 17 N 2.37 4.21 -0.07 4.45 1.01 -1.26 -5.07 120.40 126.04 2kb4 s VAL 17 Ca 0.07 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 2kb4 s VAL 17 Cb -0.15 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2kb4 s VAL 17 CO -0.12 0.40 0.59 0.12 0.00 0.00 0.00 175.10 176.08 2kb4 s PHE 18 N 1.13 3.58 -0.04 5.22 5.36 -1.26 -5.06 117.98 126.91 2kb4 s PHE 18 Ca 0.03 1.10 0.06 0.00 -0.96 0.00 0.00 56.93 57.16 2kb4 s PHE 18 Cb -0.14 -2.65 -0.02 0.00 -0.34 0.00 0.00 43.02 39.86 2kb4 s PHE 18 CO 0.02 0.19 -0.23 1.03 -1.46 0.00 0.00 175.22 174.78 2kb4 s ARG 19 N 0.45 2.36 -1.14 10.12 3.00 -1.26 -5.03 118.95 127.45 2kb4 s ARG 19 Ca 0.31 -0.86 -0.07 0.00 0.00 0.00 0.00 55.73 55.11 2kb4 s ARG 19 Cb -0.17 -2.17 0.26 0.00 0.00 0.00 0.00 34.95 32.87 2kb4 s ARG 19 CO 0.15 0.52 1.44 0.00 0.00 0.00 0.00 175.30 177.41 2kb4 n ALA 20 N 2.57 4.79 -0.03 2.13 0.00 -1.26 -4.83 120.51 123.89 2kb4 n ALA 20 Ca -0.17 -4.62 -0.15 0.00 0.00 0.00 0.00 53.44 48.50 2kb4 n ALA 20 Cb 0.52 -2.57 -0.09 0.00 0.00 0.00 0.00 19.45 17.31 2kb4 n ALA 20 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kb4 h ASP 21 N 6.03 0.43 -3.53 0.00 3.58 -2.04 -3.41 116.42 117.48 2kb4 h ASP 21 Ca 0.24 -0.65 -0.67 0.00 0.42 0.00 0.00 57.03 56.36 2kb4 h ASP 21 Cb 0.72 -0.13 -0.34 0.00 1.72 0.00 0.00 39.33 41.30 2kb4 h ASP 21 CO 1.28 1.02 -0.78 -1.48 -2.88 0.00 0.00 179.24 176.39 2kb4 s LEU 22 N -8.66 3.07 -0.39 2.28 2.34 -1.26 -5.06 118.68 110.99 2kb4 s LEU 22 Ca -0.14 -0.99 -0.26 0.00 0.06 0.00 0.00 54.13 52.79 2kb4 s LEU 22 Cb 0.04 -1.59 0.02 0.00 -0.56 0.00 0.00 46.19 44.09 2kb4 s LEU 22 CO 0.78 -0.13 0.97 -0.22 -1.06 0.00 0.00 176.35 176.69 2kb4 s LEU 23 N 1.25 3.95 -0.42 1.48 0.20 -1.26 -4.98 118.68 118.90 2kb4 s LEU 23 Ca -0.02 0.53 -0.29 0.00 0.69 0.00 0.00 54.13 55.04 2kb4 s LEU 23 Cb -0.17 -3.31 0.01 0.00 -0.43 0.00 0.00 46.19 42.29 2kb4 s LEU 23 CO -0.06 -0.94 1.32 -0.75 -0.29 0.00 0.00 176.35 175.62 2kb4 s LYS 24 N 3.66 3.66 0.53 1.98 2.36 -1.26 -4.98 119.74 125.70 2kb4 s LYS 24 Ca 0.40 0.88 0.02 0.00 -2.55 0.00 0.00 55.97 54.72 2kb4 s LYS 24 Cb -0.11 -3.97 0.01 0.00 -1.05 0.00 0.00 37.83 32.71 2kb4 s LYS 24 CO 0.21 -1.45 0.14 -1.83 1.55 0.00 0.00 175.35 173.97 2kb4 s GLU 25 N 4.70 2.22 0.17 4.03 -1.05 -1.26 -5.15 118.70 122.36 2kb4 s GLU 25 Ca 0.57 -2.29 -0.24 0.00 -0.15 0.00 0.00 54.97 52.86 2kb4 s GLU 25 Cb -0.12 -1.71 0.06 0.00 -0.44 0.00 0.00 34.13 31.91 2kb4 s GLU 25 CO 0.31 -0.46 0.91 0.00 0.95 0.00 0.00 175.26 176.96 2kb4 s MET 26 N -4.02 1.31 0.00 -4.83 0.23 -1.26 -5.18 119.30 105.55 2kb4 s MET 26 Ca 0.14 -0.72 0.00 0.00 -1.03 0.00 0.00 55.69 54.09 2kb4 s MET 26 Cb 0.00 0.45 -0.00 0.00 -1.53 0.00 0.00 34.83 33.75 2kb4 s MET 26 CO 0.08 -0.60 -0.02 -2.00 -2.03 0.00 0.00 175.02 170.46 2kb4 s GLU 27 N -3.41 0.13 -0.11 3.16 2.56 -1.26 -5.02 118.70 114.75 2kb4 s GLU 27 Ca 0.12 -0.11 0.15 0.00 0.00 0.00 0.00 54.97 55.13 2kb4 s GLU 27 Cb -0.02 -0.08 -0.22 0.00 2.00 0.00 0.00 34.13 35.80 2kb4 s GLU 27 CO 0.03 0.02 0.17 -1.13 -0.56 0.00 0.00 175.26 173.79 2kb4 n SER 28 N 2.89 1.07 -4.67 -1.70 3.41 -1.26 -4.97 113.62 108.39 2kb4 n SER 28 Ca -0.13 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.23 2kb4 n SER 28 Cb 0.59 1.22 0.11 0.00 -0.26 0.00 0.00 64.21 65.87 2kb4 n SER 28 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kb4 s SER 29 N -4.60 4.33 0.14 4.04 0.01 -1.26 -5.11 113.70 111.26 2kb4 s SER 29 Ca -0.07 -0.04 -0.24 0.00 1.31 0.00 0.00 55.95 56.91 2kb4 s SER 29 Cb 0.07 -0.39 0.08 0.00 0.21 0.00 0.00 66.02 65.98 2kb4 s SER 29 CO 0.68 -1.88 1.06 0.28 0.41 0.00 0.00 173.24 173.79 2kb4 s THR 30 N -3.25 0.00 -0.49 1.44 -1.32 -1.26 -5.10 115.64 105.65 2kb4 s THR 30 Ca 0.65 -0.54 -0.29 0.00 -1.21 0.00 0.00 61.69 60.31 2kb4 s THR 30 Cb -0.07 -2.60 0.03 0.00 -1.51 0.00 0.00 72.50 68.35 2kb4 s THR 30 CO 0.45 0.00 1.13 -0.83 -2.21 0.00 0.00 174.62 173.16 2kb4 s GLY 31 N -3.29 1.29 -0.20 6.08 0.00 -1.26 -4.98 107.32 104.95 2kb4 s GLY 31 Ca 0.19 -0.56 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 2kb4 s GLY 31 CO 0.03 2.39 1.28 -0.51 0.00 0.00 0.00 173.10 176.29 2kb4 s THR 32 N 4.47 4.24 -0.21 0.90 -4.23 -1.26 -4.99 115.64 114.55 2kb4 s THR 32 Ca 0.46 1.47 -0.20 0.00 -1.18 0.00 0.00 61.69 62.24 2kb4 s THR 32 Cb -0.07 -4.04 -0.02 0.00 1.34 0.00 0.00 72.50 69.70 2kb4 s THR 32 CO 0.30 -0.23 0.61 0.00 -0.54 0.00 0.00 174.62 174.77 2kb4 s ALA 33 N 3.77 3.56 0.65 3.99 0.00 -1.26 -5.07 121.76 127.41 2kb4 s ALA 33 Ca 0.55 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 2kb4 s ALA 33 Cb -0.20 -2.96 0.10 0.00 0.00 0.00 0.00 23.12 20.06 2kb4 s ALA 33 CO 0.17 -0.61 0.71 -0.35 0.00 0.00 0.00 175.76 175.68 2kb4 n PRO 34 N 5.20 0.04 0.00 0.00 -0.04 -1.26 -4.99 135.00 133.95 2kb4 n PRO 34 Ca -0.02 -1.87 0.12 0.00 -0.04 0.00 0.00 63.50 61.70 2kb4 n PRO 34 Cb 0.50 -0.50 0.25 0.00 -0.04 0.00 0.00 33.50 33.72 2kb4 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb4 n ALA 35 N -2.98 3.10 -2.81 0.55 0.00 -1.26 -4.74 120.51 112.37 2kb4 n ALA 35 Ca -0.12 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.38 2kb4 n ALA 35 Cb 0.41 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 2kb4 n ALA 35 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kb4 s SER 36 N -2.38 6.65 -0.41 0.00 0.01 -1.26 -4.95 113.70 111.36 2kb4 s SER 36 Ca 0.25 -2.01 -0.23 0.00 1.31 0.00 0.00 55.95 55.27 2kb4 s SER 36 Cb 0.19 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.98 2kb4 s SER 36 CO 0.49 -1.16 0.77 -0.89 0.41 0.00 0.00 173.24 172.86 2kb4 s THR 37 N 3.27 4.70 0.00 1.44 2.01 -1.26 -4.21 115.64 121.59 2kb4 s THR 37 Ca 0.39 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.98 2kb4 s THR 37 Cb -0.03 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.22 2kb4 s THR 37 CO -0.08 -0.58 0.00 0.61 -0.69 0.00 0.00 174.62 173.88 2kb4 n GLY 38 N 4.80 0.84 0.21 4.40 0.00 -1.26 -4.97 105.19 109.22 2kb4 n GLY 38 Ca 0.02 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.32 2kb4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 h ALA 39 N 0.00 1.46 0.00 4.61 0.00 -1.94 -2.03 119.26 121.36 2kb4 h ALA 39 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kb4 h ALA 39 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kb4 h ALA 39 CO 0.00 0.33 0.00 -0.85 0.00 0.00 0.00 179.25 178.73 2kb4 n GLU 40 N -4.07 0.08 0.08 0.00 0.00 -1.25 -1.46 120.64 114.02 2kb4 n GLU 40 Ca -0.02 0.31 0.13 0.00 0.00 0.00 0.00 57.16 57.57 2kb4 n GLU 40 Cb 0.32 -1.65 0.30 0.00 0.00 0.00 0.00 31.44 30.42 2kb4 n GLU 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2kb4 n ASN 41 N -1.80 0.71 -4.33 -1.84 4.13 -0.76 -3.89 115.26 107.48 2kb4 n ASN 41 Ca 0.03 0.33 -0.40 0.00 1.68 0.00 0.00 54.58 56.23 2kb4 n ASN 41 Cb 0.20 -0.31 -0.11 0.00 -1.54 0.00 0.00 39.78 38.02 2kb4 n ASN 41 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2kb4 s LEU 42 N -4.26 4.71 0.50 3.41 1.02 -0.53 -4.93 118.68 118.60 2kb4 s LEU 42 Ca 0.09 -1.14 0.26 0.00 0.02 0.00 0.00 54.13 53.36 2kb4 s LEU 42 Cb 0.13 -1.98 1.30 0.00 0.02 0.00 0.00 46.19 45.66 2kb4 s LEU 42 CO 0.65 -0.40 2.00 1.55 0.02 0.00 0.00 176.35 180.17 2kb4 h PRO 43 N 8.38 0.00 -0.82 1.29 0.13 -1.84 -1.77 132.00 137.37 2kb4 h PRO 43 Ca -0.24 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.70 2kb4 h PRO 43 Cb 1.09 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.11 2kb4 h PRO 43 CO 0.67 0.15 0.24 0.00 -0.23 0.00 0.00 178.00 178.84 2kb4 n ALA 44 N -2.27 4.24 -2.36 -0.56 0.00 -1.26 -4.61 120.51 113.69 2kb4 n ALA 44 Ca -0.01 -1.89 -0.43 0.00 0.00 0.00 0.00 53.44 51.11 2kb4 n ALA 44 Cb 0.29 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2kb4 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 45 N -0.10 4.75 3.88 0.00 0.00 -0.67 -3.79 105.19 109.26 2kb4 n GLY 45 Ca 0.34 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 2kb4 n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kb4 s SER 46 N 0.82 6.57 0.49 1.61 1.04 -1.26 -4.96 113.70 118.01 2kb4 s SER 46 Ca 0.39 1.00 0.02 0.00 0.48 0.00 0.00 55.95 57.84 2kb4 s SER 46 Cb 0.09 -2.26 -0.02 0.00 0.10 0.00 0.00 66.02 63.93 2kb4 s SER 46 CO 0.01 -0.23 0.03 0.00 0.98 0.00 0.00 173.24 174.03 2kb4 s ALA 47 N -2.10 3.83 0.04 5.32 0.00 -1.26 -3.77 121.76 123.83 2kb4 s ALA 47 Ca 0.49 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.90 2kb4 s ALA 47 Cb -0.11 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2kb4 s ALA 47 CO 0.26 -0.10 -0.11 -0.48 0.00 0.00 0.00 175.76 175.34 2kb4 s LEU 48 N -3.81 2.18 -0.14 0.00 2.34 -0.88 -1.73 118.68 116.64 2kb4 s LEU 48 Ca 0.10 -0.45 -0.03 0.00 0.06 0.00 0.00 54.13 53.82 2kb4 s LEU 48 Cb 0.02 -0.40 -0.03 0.00 -0.56 0.00 0.00 46.19 45.22 2kb4 s LEU 48 CO 0.06 -0.05 -0.05 -1.48 -1.06 0.00 0.00 176.35 173.77 2kb4 s LEU 49 N -1.18 3.22 -0.22 1.48 2.34 0.53 -1.55 118.68 123.29 2kb4 s LEU 49 Ca -0.03 -0.12 -0.03 0.00 0.06 0.00 0.00 54.13 54.02 2kb4 s LEU 49 Cb -0.08 -1.76 0.01 0.00 -0.56 0.00 0.00 46.19 43.80 2kb4 s LEU 49 CO 0.01 0.20 -0.07 -0.69 -1.06 0.00 0.00 176.35 174.74 2kb4 s VAL 50 N 0.15 3.03 -0.33 1.48 1.01 0.83 -0.33 120.40 126.25 2kb4 s VAL 50 Ca -0.02 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 2kb4 s VAL 50 Cb -0.14 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2kb4 s VAL 50 CO 0.03 0.37 0.53 -0.69 0.00 0.00 0.00 175.10 175.34 2kb4 s VAL 51 N 1.41 5.01 0.16 2.92 1.01 0.47 -0.36 120.40 131.01 2kb4 s VAL 51 Ca 0.04 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 2kb4 s VAL 51 Cb -0.15 -3.95 -0.13 0.00 0.00 0.00 0.00 36.38 32.15 2kb4 s VAL 51 CO -0.05 -0.15 1.39 0.11 0.00 0.00 0.00 175.10 176.39 2kb4 h LYS 52 N 8.35 0.39 -1.33 2.72 1.79 -1.64 -3.12 116.57 123.74 2kb4 h LYS 52 Ca -0.28 -0.36 0.14 0.00 -2.18 0.00 0.00 60.65 57.97 2kb4 h LYS 52 Cb 1.13 0.09 -0.27 0.00 -1.58 0.00 0.00 32.23 31.60 2kb4 h LYS 52 CO 0.77 1.01 0.37 0.50 -1.08 0.00 0.00 179.45 181.02 2kb4 s ARG 53 N -3.48 0.33 0.30 3.15 3.52 -1.23 -4.90 118.95 116.63 2kb4 s ARG 53 Ca -0.06 0.63 -0.09 0.00 -0.13 0.00 0.00 55.73 56.08 2kb4 s ARG 53 Cb 0.10 0.18 0.01 0.00 -1.56 0.00 0.00 34.95 33.67 2kb4 s ARG 53 CO 0.85 -0.08 0.51 0.20 -0.81 0.00 0.00 175.30 175.97 2kb4 s GLY 54 N 1.65 0.87 0.16 8.12 0.00 -0.43 -2.35 107.32 115.34 2kb4 s GLY 54 Ca -0.07 -1.10 -0.10 0.00 0.00 0.00 0.00 44.72 43.45 2kb4 s GLY 54 CO -0.15 -0.73 1.53 -0.56 0.00 0.00 0.00 173.10 173.19 2kb4 h PRO 55 N 2.17 0.99 0.00 2.90 0.13 -1.96 -3.33 132.00 132.90 2kb4 h PRO 55 Ca -0.28 -0.45 -0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2kb4 h PRO 55 Cb 1.25 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kb4 h PRO 55 CO 0.37 1.12 -0.00 -0.97 -0.23 0.00 0.00 178.00 178.30 2kb4 h ASN 56 N 0.84 -0.00 -0.10 1.44 -0.00 -1.91 0.31 115.58 116.15 2kb4 h ASN 56 Ca 0.10 -0.37 0.00 0.00 -0.00 0.00 0.00 56.30 56.03 2kb4 h ASN 56 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.17 2kb4 h ASN 56 CO 0.08 0.68 0.00 0.00 -0.00 0.00 0.00 177.43 178.18 2kb4 n ALA 57 N -2.71 0.00 -2.70 1.57 0.00 -1.25 -4.54 120.51 110.87 2kb4 n ALA 57 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 2kb4 n ALA 57 Cb 0.18 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.72 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N 0.00 1.58 0.96 0.00 0.00 -1.26 -1.31 105.19 105.15 2kb4 n GLY 58 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N -0.64 0.18 -2.41 4.61 0.00 -1.18 -4.79 120.51 116.28 2kb4 n ALA 59 Ca -0.01 -0.59 -0.32 0.00 0.00 0.00 0.00 53.44 52.52 2kb4 n ALA 59 Cb 0.84 0.42 -0.14 0.00 0.00 0.00 0.00 19.45 20.57 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -2.43 2.34 0.14 0.00 1.70 -1.26 -0.40 118.95 119.04 2kb4 s ARG 60 Ca 0.08 -0.80 0.07 0.00 -0.47 0.00 0.00 55.73 54.62 2kb4 s ARG 60 Cb 0.00 -2.24 -0.04 0.00 -0.57 0.00 0.00 34.95 32.11 2kb4 s ARG 60 CO 0.06 0.59 -0.17 -0.06 -1.08 0.00 0.00 175.30 174.64 2kb4 s PHE 61 N -0.67 1.65 -0.06 5.89 0.08 0.55 -4.96 117.98 120.47 2kb4 s PHE 61 Ca 0.11 -0.49 0.01 0.00 0.12 0.00 0.00 56.93 56.68 2kb4 s PHE 61 Cb -0.10 -0.85 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2kb4 s PHE 61 CO -0.00 0.24 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.78 2kb4 s LEU 62 N -2.43 3.20 -0.22 -0.37 1.02 -1.26 -0.35 118.68 118.26 2kb4 s LEU 62 Ca 0.11 -0.02 -0.29 0.00 0.02 0.00 0.00 54.13 53.95 2kb4 s LEU 62 Cb -0.06 -1.72 -0.02 0.00 0.02 0.00 0.00 46.19 44.41 2kb4 s LEU 62 CO 0.05 0.35 1.52 -0.76 0.02 0.00 0.00 176.35 177.54 2kb4 s LEU 63 N -0.90 3.94 0.00 1.79 2.01 -0.70 -4.71 118.68 120.10 2kb4 s LEU 63 Ca 0.13 1.57 0.00 0.00 0.01 0.00 0.00 54.13 55.84 2kb4 s LEU 63 Cb -0.11 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.56 2kb4 s LEU 63 CO 0.02 -1.16 0.00 -0.67 1.01 0.00 0.00 176.35 175.55 2kb4 n ASP 64 N 8.06 1.04 -4.45 2.29 2.03 -1.26 -4.61 116.55 119.64 2kb4 n ASP 64 Ca 0.17 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.14 2kb4 n ASP 64 Cb 0.45 0.14 -0.12 0.00 -0.72 0.00 0.00 41.12 40.87 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2kb4 s GLN 65 N -0.93 3.62 0.18 -0.67 0.74 -1.26 -5.04 119.66 116.30 2kb4 s GLN 65 Ca 0.00 -0.53 -0.27 0.00 0.05 0.00 0.00 55.36 54.61 2kb4 s GLN 65 Cb 0.00 -3.03 0.02 0.00 1.10 0.00 0.00 33.01 31.10 2kb4 s GLN 65 CO 0.00 0.07 1.55 -1.00 -0.55 0.00 0.00 175.29 175.35 2kb4 h PRO 66 N 7.30 -0.07 -4.86 1.67 0.13 -1.94 -3.35 132.00 130.89 2kb4 h PRO 66 Ca -0.35 0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.12 2kb4 h PRO 66 Cb 1.18 0.02 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2kb4 h PRO 66 CO 0.61 -0.05 -0.65 0.99 -0.23 0.00 0.00 178.00 178.67 2kb4 s THR 67 N -5.68 3.74 -0.23 1.56 2.01 -1.26 -0.37 115.64 115.41 2kb4 s THR 67 Ca -0.13 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 2kb4 s THR 67 Cb 0.13 -2.88 0.03 0.00 0.01 0.00 0.00 72.50 69.79 2kb4 s THR 67 CO 0.65 0.16 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.75 2kb4 s THR 68 N 1.48 2.61 -0.19 -0.82 2.01 0.57 -5.02 115.64 116.29 2kb4 s THR 68 Ca 0.03 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 2kb4 s THR 68 Cb -0.17 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 2kb4 s THR 68 CO 0.01 0.28 -0.03 0.28 -0.69 0.00 0.00 174.62 174.46 2kb4 s THR 69 N 1.30 3.70 -0.41 -0.82 -1.32 -1.26 -0.07 115.64 116.76 2kb4 s THR 69 Ca 0.01 -0.40 -0.15 0.00 -1.21 0.00 0.00 61.69 59.93 2kb4 s THR 69 Cb -0.16 -2.65 0.02 0.00 -1.51 0.00 0.00 72.50 68.20 2kb4 s THR 69 CO -0.07 0.45 0.30 0.00 -2.21 0.00 0.00 174.62 173.09 2kb4 s ALA 70 N 0.91 3.47 0.00 11.08 0.00 -0.03 -3.36 121.76 133.83 2kb4 s ALA 70 Ca -0.00 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.24 2kb4 s ALA 70 Cb -0.15 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2kb4 s ALA 70 CO 0.01 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 174.73 2kb4 n GLY 71 N 5.15 1.06 0.00 0.00 0.00 -1.26 -0.35 105.19 109.79 2kb4 n GLY 71 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2kb4 n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kb4 n ARG 72 N 0.00 0.00 -1.53 1.61 0.63 0.44 -3.34 116.66 114.47 2kb4 n ARG 72 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 2kb4 n ARG 72 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 2kb4 n ARG 72 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2kb4 n HIS 73 N -0.02 -4.13 0.24 -0.14 8.25 -1.24 -3.41 115.22 114.76 2kb4 n HIS 73 Ca 0.00 2.27 0.10 0.00 -0.26 0.00 0.00 57.72 59.83 2kb4 n HIS 73 Cb 0.00 -3.66 0.59 0.00 1.12 0.00 0.00 29.99 28.04 2kb4 n HIS 73 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kb4 h PRO 74 N -0.97 0.00 -2.56 -0.41 0.11 -2.00 -3.32 132.00 122.85 2kb4 h PRO 74 Ca -0.15 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.28 2kb4 h PRO 74 Cb 1.30 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 32.05 2kb4 h PRO 74 CO 0.06 0.19 -0.03 0.39 -0.21 0.00 0.00 178.00 178.40 2kb4 n GLU 75 N -3.66 3.28 -2.42 1.05 -0.58 -1.26 -5.05 120.64 111.99 2kb4 n GLU 75 Ca -0.01 -4.62 -0.41 0.00 -0.42 0.00 0.00 57.16 51.70 2kb4 n GLU 75 Cb 0.32 -2.37 -0.03 0.00 -0.57 0.00 0.00 31.44 28.79 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2kb4 s SER 76 N -2.04 7.13 -0.12 1.62 0.01 -1.22 -4.95 113.70 114.14 2kb4 s SER 76 Ca 0.35 2.15 -0.28 0.00 1.31 0.00 0.00 55.95 59.48 2kb4 s SER 76 Cb 0.09 -2.60 -0.26 0.00 0.21 0.00 0.00 66.02 63.47 2kb4 s SER 76 CO 0.02 -0.36 0.84 -0.78 0.41 0.00 0.00 173.24 173.37 2kb4 h ASP 77 N 5.59 0.04 -4.34 2.44 3.58 -1.83 -3.44 116.42 118.45 2kb4 h ASP 77 Ca -0.44 -0.94 -0.57 0.00 0.42 0.00 0.00 57.03 55.51 2kb4 h ASP 77 Cb 1.21 -0.01 -0.28 0.00 1.72 0.00 0.00 39.33 41.97 2kb4 h ASP 77 CO 0.76 0.97 -0.84 0.27 -2.88 0.00 0.00 179.24 177.52 2kb4 s ILE 78 N -2.47 1.53 -0.25 2.25 -4.36 -1.21 -4.99 121.20 111.70 2kb4 s ILE 78 Ca -0.18 -0.94 -0.15 0.00 -0.26 0.00 0.00 60.65 59.11 2kb4 s ILE 78 Cb -0.02 -1.29 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 2kb4 s ILE 78 CO 0.70 0.33 0.39 0.72 0.24 0.00 0.00 174.94 177.32 2kb4 s PHE 79 N -0.58 3.29 -0.29 1.37 -0.71 -1.26 -4.23 117.98 115.57 2kb4 s PHE 79 Ca 0.07 0.49 -0.22 0.00 -1.04 0.00 0.00 56.93 56.23 2kb4 s PHE 79 Cb -0.08 -2.56 -0.01 0.00 -1.21 0.00 0.00 43.02 39.16 2kb4 s PHE 79 CO 0.00 -0.16 0.71 -0.51 -1.34 0.00 0.00 175.22 173.93 2kb4 s LEU 80 N 1.82 4.10 0.00 -1.99 1.02 -1.21 -4.22 118.68 118.20 2kb4 s LEU 80 Ca 0.17 0.63 0.24 0.00 0.02 0.00 0.00 54.13 55.18 2kb4 s LEU 80 Cb -0.15 -2.96 0.20 0.00 0.02 0.00 0.00 46.19 43.30 2kb4 s LEU 80 CO 0.09 -0.51 1.21 -0.67 0.02 0.00 0.00 176.35 176.49 2kb4 n ASP 81 N 5.98 1.49 -2.12 2.29 2.03 0.11 -4.90 116.55 121.43 2kb4 n ASP 81 Ca 0.02 -1.18 -0.01 0.00 0.52 0.00 0.00 54.79 54.14 2kb4 n ASP 81 Cb 0.48 0.45 0.01 0.00 -0.72 0.00 0.00 41.12 41.34 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kb4 n ASP 82 N -0.52 -0.13 0.00 1.67 5.75 -1.20 -5.02 116.55 117.10 2kb4 n ASP 82 Ca 0.09 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.92 2kb4 n ASP 82 Cb 0.41 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 2kb4 n ASP 82 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2kb4 n VAL 83 N -2.12 0.69 -1.11 2.12 3.14 -1.26 -4.59 118.33 115.20 2kb4 n VAL 83 Ca 0.01 -0.79 0.10 0.00 -2.96 0.00 0.00 64.34 60.70 2kb4 n VAL 83 Cb 0.02 0.68 0.14 0.00 -1.06 0.00 0.00 33.84 33.62 2kb4 n VAL 83 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2kb4 n THR 84 N -0.35 1.85 -2.79 1.55 5.66 -1.26 -5.02 114.28 113.92 2kb4 n THR 84 Ca 0.00 -2.24 -0.41 0.00 -3.05 0.00 0.00 64.05 58.35 2kb4 n THR 84 Cb 0.23 -0.22 -0.04 0.00 -1.55 0.00 0.00 70.33 68.75 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kb4 s VAL 85 N -2.82 4.81 0.70 1.08 0.11 -1.26 -4.93 120.40 118.09 2kb4 s VAL 85 Ca 0.31 1.93 -0.13 0.00 -2.93 0.00 0.00 61.98 61.16 2kb4 s VAL 85 Cb 0.28 -4.26 0.02 0.00 -1.53 0.00 0.00 36.38 30.88 2kb4 s VAL 85 CO 0.03 0.22 1.10 -0.55 -3.33 0.00 0.00 175.10 172.57 2kb4 s SER 86 N 0.69 4.95 0.27 3.54 0.15 -1.26 -4.93 113.70 117.11 2kb4 s SER 86 Ca 0.48 1.90 0.00 0.00 0.70 0.00 0.00 55.95 59.03 2kb4 s SER 86 Cb -0.21 -2.54 0.56 0.00 -1.71 0.00 0.00 66.02 62.12 2kb4 s SER 86 CO 0.26 -1.74 1.78 0.08 1.20 0.00 0.00 173.24 174.82 2kb4 h ARG 87 N -0.40 0.68 -3.73 5.44 0.11 -1.96 -3.34 114.38 111.19 2kb4 h ARG 87 Ca -0.45 -0.04 -0.33 0.00 0.10 0.00 0.00 59.98 59.25 2kb4 h ARG 87 Cb 1.24 -0.15 -0.33 0.00 1.11 0.00 0.00 29.97 31.83 2kb4 h ARG 87 CO 0.53 0.45 -0.74 1.03 0.10 0.00 0.00 179.97 181.34 2kb4 s ARG 88 N -5.96 0.26 -0.05 0.08 3.00 -1.26 -0.42 118.95 114.61 2kb4 s ARG 88 Ca -0.12 0.07 -0.07 0.00 0.00 0.00 0.00 55.73 55.61 2kb4 s ARG 88 Cb 0.22 -0.43 -0.02 0.00 0.00 0.00 0.00 34.95 34.71 2kb4 s ARG 88 CO 0.79 -0.12 -0.14 1.58 0.00 0.00 0.00 175.30 177.41 2kb4 n HIS 89 N 4.03 0.00 -3.92 -0.53 -0.00 0.53 -3.42 115.22 111.90 2kb4 n HIS 89 Ca -0.26 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.72 2kb4 n HIS 89 Cb 0.51 -0.20 -0.17 0.00 -0.12 0.00 0.00 29.99 30.02 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb4 s ALA 90 N -2.58 0.54 -0.20 1.57 0.00 -0.71 -0.13 121.76 120.24 2kb4 s ALA 90 Ca -0.11 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.73 2kb4 s ALA 90 Cb 0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 2kb4 s ALA 90 CO 0.17 -0.22 0.25 -2.00 0.00 0.00 0.00 175.76 173.95 2kb4 s GLU 91 N 1.40 4.16 -0.33 0.00 2.12 0.06 -0.85 118.70 125.27 2kb4 s GLU 91 Ca -0.04 -0.06 -0.09 0.00 0.36 0.00 0.00 54.97 55.14 2kb4 s GLU 91 Cb -0.13 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.78 2kb4 s GLU 91 CO -0.03 0.12 0.15 -0.06 -0.54 0.00 0.00 175.26 174.90 2kb4 s PHE 92 N 0.85 3.20 -0.15 5.30 0.08 0.91 -0.96 117.98 127.20 2kb4 s PHE 92 Ca 0.13 -0.91 -0.01 0.00 0.12 0.00 0.00 56.93 56.26 2kb4 s PHE 92 Cb -0.13 -2.35 -0.01 0.00 -0.57 0.00 0.00 43.02 39.96 2kb4 s PHE 92 CO 0.04 -0.58 -0.11 0.50 -0.10 0.00 0.00 175.22 174.97 2kb4 s ARG 93 N 1.54 3.37 -0.23 0.44 3.52 0.74 -0.31 118.95 128.01 2kb4 s ARG 93 Ca 0.02 -0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 54.93 2kb4 s ARG 93 Cb -0.18 -2.72 0.02 0.00 -1.56 0.00 0.00 34.95 30.51 2kb4 s ARG 93 CO 0.05 0.09 -0.08 -1.50 -0.81 0.00 0.00 175.30 173.05 2kb4 s ILE 94 N 0.67 2.82 0.02 4.11 -1.16 0.50 -0.17 121.20 127.99 2kb4 s ILE 94 Ca -0.06 -0.92 0.03 0.00 -0.51 0.00 0.00 60.65 59.19 2kb4 s ILE 94 Cb -0.15 -2.37 -0.04 0.00 0.61 0.00 0.00 42.46 40.51 2kb4 s ILE 94 CO 0.02 0.29 -0.01 0.21 -2.81 0.00 0.00 174.94 172.64 2kb4 s ASN 95 N 1.34 4.99 0.56 4.50 2.47 -0.59 -4.60 114.94 123.62 2kb4 s ASN 95 Ca 0.02 -0.07 0.31 0.00 0.42 0.00 0.00 52.86 53.53 2kb4 s ASN 95 Cb -0.16 -1.25 1.46 0.00 -1.45 0.00 0.00 41.25 39.85 2kb4 s ASN 95 CO -0.06 0.26 1.85 1.05 -3.72 0.00 0.00 177.10 176.48 2kb4 h GLU 96 N 4.18 0.00 0.00 0.43 4.11 -1.86 -2.36 114.58 119.09 2kb4 h GLU 96 Ca -0.49 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.84 2kb4 h GLU 96 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2kb4 h GLU 96 CO 0.57 0.00 -0.59 0.78 0.07 0.00 0.00 179.01 179.84 2kb4 h GLY 97 N 0.00 0.00 -4.23 1.06 0.00 -1.88 -3.33 103.07 94.69 2kb4 h GLY 97 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.56 2kb4 h GLY 97 CO -0.00 0.00 -0.51 -0.54 0.00 0.00 0.00 176.54 175.48 2kb4 s GLU 98 N -2.24 0.56 -0.22 4.80 2.02 -0.89 -4.66 118.70 118.07 2kb4 s GLU 98 Ca -0.22 -0.65 -0.15 0.00 0.02 0.00 0.00 54.97 53.97 2kb4 s GLU 98 Cb 0.01 0.22 -0.04 0.00 0.10 0.00 0.00 34.13 34.43 2kb4 s GLU 98 CO 0.57 -0.14 0.36 -0.06 0.02 0.00 0.00 175.26 176.01 2kb4 s PHE 99 N -2.26 3.33 -0.09 1.61 0.40 -1.26 -1.55 117.98 118.17 2kb4 s PHE 99 Ca -0.08 0.51 0.03 0.00 -0.60 0.00 0.00 56.93 56.79 2kb4 s PHE 99 Cb -0.03 -2.50 -0.02 0.00 0.51 0.00 0.00 43.02 40.98 2kb4 s PHE 99 CO -0.03 -0.06 -0.17 -2.00 0.70 0.00 0.00 175.22 173.66 2kb4 s GLU 100 N 1.48 2.90 -0.10 0.44 2.12 0.76 -0.10 118.70 126.19 2kb4 s GLU 100 Ca 0.16 -0.75 0.02 0.00 0.36 0.00 0.00 54.97 54.76 2kb4 s GLU 100 Cb -0.15 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.84 2kb4 s GLU 100 CO 0.08 0.38 -0.15 0.54 -0.54 0.00 0.00 175.26 175.56 2kb4 s VAL 101 N -0.10 1.49 -0.18 3.70 0.11 0.52 -0.18 120.40 125.76 2kb4 s VAL 101 Ca -0.03 -0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 58.36 2kb4 s VAL 101 Cb -0.14 -1.36 -0.00 0.00 -1.53 0.00 0.00 36.38 33.35 2kb4 s VAL 101 CO 0.04 0.44 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.45 2kb4 s VAL 102 N 0.91 2.95 -0.33 2.04 1.01 -0.13 -0.49 120.40 126.36 2kb4 s VAL 102 Ca -0.08 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 2kb4 s VAL 102 Cb -0.15 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 2kb4 s VAL 102 CO -0.00 0.49 0.68 -0.62 0.00 0.00 0.00 175.10 175.64 2kb4 s ASP 103 N 1.02 6.50 -0.02 3.32 2.15 0.71 -0.76 116.67 129.60 2kb4 s ASP 103 Ca -0.01 0.35 0.04 0.00 0.43 0.00 0.00 52.55 53.36 2kb4 s ASP 103 Cb -0.15 -2.35 0.09 0.00 -0.30 0.00 0.00 42.92 40.21 2kb4 s ASP 103 CO -0.02 -0.58 1.06 1.33 -0.17 0.00 0.00 175.17 176.79 2kb4 n VAL 104 N 5.55 1.13 -1.54 1.11 0.24 0.81 -4.58 118.33 121.05 2kb4 n VAL 104 Ca 0.00 -1.16 -0.18 0.00 -2.04 0.00 0.00 64.34 60.96 2kb4 n VAL 104 Cb 0.49 0.40 0.13 0.00 -1.47 0.00 0.00 33.84 33.38 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N -0.45 5.43 0.00 7.63 0.00 0.18 -4.63 105.19 113.35 2kb4 n GLY 105 Ca 0.04 -1.79 0.02 0.00 0.00 0.00 0.00 46.02 44.29 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb4 n SER 106 N -0.99 0.00 -0.26 1.61 7.64 -1.26 -0.33 113.62 120.03 2kb4 n SER 106 Ca 0.46 0.48 0.03 0.00 1.01 0.00 0.00 58.87 60.85 2kb4 n SER 106 Cb 1.01 -0.49 0.26 0.00 -1.01 0.00 0.00 64.21 63.98 2kb4 n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kb4 h LEU 107 N 0.00 0.86 0.00 -3.43 5.85 -1.96 -3.26 115.31 113.37 2kb4 h LEU 107 Ca 0.00 -0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 2kb4 h LEU 107 Cb 0.08 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2kb4 h LEU 107 CO 0.00 0.58 -1.73 0.59 -0.34 0.00 0.00 178.44 177.53 2kb4 n ASN 108 N -4.46 2.76 0.00 1.25 4.13 0.06 -5.12 115.26 113.87 2kb4 n ASN 108 Ca 0.12 -0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.33 2kb4 n ASN 108 Cb 0.15 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kb4 n GLY 109 N 2.80 2.33 3.38 7.41 0.00 0.55 -4.69 105.19 116.97 2kb4 n GLY 109 Ca -0.23 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N 0.00 3.82 -0.05 2.61 2.01 -1.26 -0.56 115.64 122.21 2kb4 s THR 110 Ca 0.00 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.71 2kb4 s THR 110 Cb 0.00 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 2kb4 s THR 110 CO 0.00 0.38 -0.21 -0.72 -0.69 0.00 0.00 174.62 173.39 2kb4 s TYR 111 N 1.52 2.01 -0.12 4.92 -0.85 0.10 -2.49 117.35 122.44 2kb4 s TYR 111 Ca 0.06 -0.56 -0.04 0.00 -0.52 0.00 0.00 57.07 56.00 2kb4 s TYR 111 Cb -0.15 -1.33 -0.04 0.00 0.38 0.00 0.00 41.96 40.83 2kb4 s TYR 111 CO 0.00 -0.17 0.04 0.14 -1.52 0.00 0.00 175.55 174.04 2kb4 s VAL 112 N -0.10 4.60 0.00 -3.49 -7.23 -0.17 -1.54 120.40 112.47 2kb4 s VAL 112 Ca -0.02 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.02 2kb4 s VAL 112 Cb -0.12 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.83 2kb4 s VAL 112 CO 0.02 0.56 0.00 0.59 -0.31 0.00 0.00 175.10 175.96 2kb4 n ASN 113 N 2.62 0.00 0.00 4.85 5.03 -1.26 -0.53 115.26 125.97 2kb4 n ASN 113 Ca -0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.27 2kb4 n ASN 113 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kb4 n ARG 114 N 0.00 1.65 -4.52 3.52 5.12 -1.26 -4.95 116.66 116.21 2kb4 n ARG 114 Ca 0.00 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.59 2kb4 n ARG 114 Cb 0.00 -0.14 -0.13 0.00 -1.16 0.00 0.00 32.46 31.03 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kb4 s GLU 115 N -0.02 3.50 0.27 5.56 8.01 0.31 -4.97 118.70 131.37 2kb4 s GLU 115 Ca 0.00 -0.56 -0.30 0.00 0.01 0.00 0.00 54.97 54.12 2kb4 s GLU 115 Cb 0.00 -2.81 -0.10 0.00 -4.31 0.00 0.00 34.13 26.91 2kb4 s GLU 115 CO 0.00 0.28 1.43 -2.14 0.01 0.00 0.00 175.26 174.84 2kb4 s PRO 116 N 0.22 4.27 0.21 0.39 0.02 -1.26 -1.00 135.00 137.85 2kb4 s PRO 116 Ca -0.04 2.31 0.04 0.00 0.02 0.00 0.00 61.00 63.33 2kb4 s PRO 116 Cb -0.14 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 2kb4 s PRO 116 CO 0.04 -0.40 -0.03 1.03 -0.33 0.00 0.00 177.00 177.31 2kb4 s ARG 117 N -0.69 1.26 -0.19 5.54 1.81 -1.04 -4.93 118.95 120.72 2kb4 s ARG 117 Ca 0.57 -1.61 -0.15 0.00 -1.72 0.00 0.00 55.73 52.82 2kb4 s ARG 117 Cb -0.42 -0.61 -0.09 0.00 -0.45 0.00 0.00 34.95 33.38 2kb4 s ARG 117 CO 0.46 -0.05 -0.14 -1.71 -0.68 0.00 0.00 175.30 173.18 2kb4 n ASN 118 N -0.35 1.87 -4.07 0.23 5.15 -1.26 -4.65 115.26 112.18 2kb4 n ASN 118 Ca -0.06 0.48 -0.21 0.00 -0.60 0.00 0.00 54.58 54.19 2kb4 n ASN 118 Cb 0.63 -0.86 -0.15 0.00 -0.53 0.00 0.00 39.78 38.87 2kb4 n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kb4 s ALA 119 N -2.64 0.97 0.03 5.20 0.00 -1.26 -0.21 121.76 123.85 2kb4 s ALA 119 Ca -0.25 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2kb4 s ALA 119 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2kb4 s ALA 119 CO 0.40 0.23 -0.04 -0.65 0.00 0.00 0.00 175.76 175.70 2kb4 s GLN 120 N -0.25 0.37 -0.53 0.00 -1.52 0.36 -5.01 119.66 113.09 2kb4 s GLN 120 Ca 0.04 -0.65 -0.20 0.00 -1.95 0.00 0.00 55.36 52.60 2kb4 s GLN 120 Cb -0.05 -0.00 0.06 0.00 -0.22 0.00 0.00 33.01 32.80 2kb4 s GLN 120 CO -0.00 -0.02 0.71 0.08 -0.25 0.00 0.00 175.29 175.80 2kb4 s VAL 121 N -1.43 4.75 -0.20 1.09 1.01 -1.26 -0.35 120.40 124.00 2kb4 s VAL 121 Ca -0.14 -0.35 -0.38 0.00 0.00 0.00 0.00 61.98 61.11 2kb4 s VAL 121 Cb -0.10 -4.37 -0.14 0.00 0.00 0.00 0.00 36.38 31.76 2kb4 s VAL 121 CO -0.01 -0.91 1.78 0.80 0.00 0.00 0.00 175.10 176.76 2kb4 n MET 122 N 6.51 1.50 -4.12 2.72 1.56 0.86 -4.92 117.12 121.22 2kb4 n MET 122 Ca -0.05 0.55 -0.35 0.00 -0.27 0.00 0.00 57.70 57.59 2kb4 n MET 122 Cb 0.46 -2.29 -0.10 0.00 2.15 0.00 0.00 33.22 33.44 2kb4 n MET 122 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 2kb4 s GLN 123 N 3.62 3.74 -0.32 2.12 0.74 -1.26 -4.68 119.66 123.62 2kb4 s GLN 123 Ca 0.96 -0.37 -0.29 0.00 0.05 0.00 0.00 55.36 55.71 2kb4 s GLN 123 Cb -0.94 -3.10 0.01 0.00 1.10 0.00 0.00 33.01 30.09 2kb4 s GLN 123 CO 0.60 0.36 1.12 0.95 -0.55 0.00 0.00 175.29 177.78 2kb4 s THR 124 N 0.09 4.41 0.00 -0.34 -4.23 -1.26 -3.39 115.64 110.93 2kb4 s THR 124 Ca 0.04 1.62 0.00 0.00 -1.18 0.00 0.00 61.69 62.17 2kb4 s THR 124 Cb -0.12 -4.38 0.00 0.00 1.34 0.00 0.00 72.50 69.34 2kb4 s THR 124 CO 0.01 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 2kb4 n GLY 125 N 4.02 1.34 3.79 3.99 0.00 0.16 -4.85 105.19 113.64 2kb4 n GLY 125 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 2kb4 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb4 s ASP 126 N -1.41 5.38 -0.20 1.61 2.15 -1.20 -4.92 116.67 118.08 2kb4 s ASP 126 Ca 0.00 -0.26 -0.02 0.00 0.43 0.00 0.00 52.55 52.70 2kb4 s ASP 126 Cb 0.00 -1.34 -0.00 0.00 -0.30 0.00 0.00 42.92 41.28 2kb4 s ASP 126 CO 0.00 0.01 -0.10 -1.83 -0.17 0.00 0.00 175.17 173.08 2kb4 s GLU 127 N -3.51 3.27 -0.14 4.34 -1.05 -1.26 -1.21 118.70 119.14 2kb4 s GLU 127 Ca 0.32 -0.69 -0.02 0.00 -0.15 0.00 0.00 54.97 54.43 2kb4 s GLU 127 Cb -0.09 -2.83 -0.02 0.00 -0.44 0.00 0.00 34.13 30.75 2kb4 s GLU 127 CO 0.23 -0.15 -0.09 0.42 0.95 0.00 0.00 175.26 176.63 2kb4 s ILE 128 N 1.27 3.44 -0.22 1.83 1.01 0.10 -4.10 121.20 124.52 2kb4 s ILE 128 Ca 0.03 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 2kb4 s ILE 128 Cb -0.14 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 2kb4 s ILE 128 CO -0.05 0.51 0.27 -1.58 0.00 0.00 0.00 174.94 174.10 2kb4 s GLN 129 N 0.30 4.11 -0.46 2.79 0.74 -0.59 -0.55 119.66 126.00 2kb4 s GLN 129 Ca -0.07 -0.05 -0.10 0.00 0.05 0.00 0.00 55.36 55.18 2kb4 s GLN 129 Cb -0.15 -3.54 0.10 0.00 1.10 0.00 0.00 33.01 30.52 2kb4 s GLN 129 CO 0.04 0.00 0.34 0.96 -0.55 0.00 0.00 175.29 176.08 2kb4 s ILE 130 N 1.22 4.40 0.00 -2.34 -4.36 0.77 -0.72 121.20 120.16 2kb4 s ILE 130 Ca 0.13 -1.58 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 2kb4 s ILE 130 Cb -0.14 -3.80 0.00 0.00 1.25 0.00 0.00 42.46 39.77 2kb4 s ILE 130 CO 0.06 -0.69 0.00 0.61 0.24 0.00 0.00 174.94 175.17 2kb4 n GLY 131 N 4.97 1.44 0.00 6.27 0.00 0.28 -1.53 105.19 116.62 2kb4 n GLY 131 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2kb4 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kb4 n LYS 132 N 0.00 2.03 -4.31 1.61 4.76 -1.26 -4.88 118.16 116.11 2kb4 n LYS 132 Ca 0.00 -1.18 -0.24 0.00 -2.87 0.00 0.00 58.31 54.02 2kb4 n LYS 132 Cb 0.00 -0.85 -0.08 0.00 -1.84 0.00 0.00 35.03 32.26 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2kb4 s PHE 133 N -0.68 2.62 -0.04 2.13 0.08 -0.58 -5.07 117.98 116.44 2kb4 s PHE 133 Ca 0.00 -0.23 0.04 0.00 0.12 0.00 0.00 56.93 56.85 2kb4 s PHE 133 Cb 0.00 -1.20 -0.00 0.00 -0.57 0.00 0.00 43.02 41.25 2kb4 s PHE 133 CO 0.00 0.60 -0.15 0.50 -0.10 0.00 0.00 175.22 176.06 2kb4 s ARG 134 N -3.36 1.57 -0.08 0.44 3.52 -0.99 -0.16 118.95 119.89 2kb4 s ARG 134 Ca 0.29 -0.54 0.04 0.00 -0.13 0.00 0.00 55.73 55.40 2kb4 s ARG 134 Cb -0.07 -1.39 -0.00 0.00 -1.56 0.00 0.00 34.95 31.93 2kb4 s ARG 134 CO 0.18 0.22 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.50 2kb4 s LEU 135 N 0.06 1.99 -0.10 -0.88 0.20 0.29 -1.76 118.68 118.48 2kb4 s LEU 135 Ca -0.03 -0.48 -0.00 0.00 0.69 0.00 0.00 54.13 54.31 2kb4 s LEU 135 Cb -0.11 -1.25 -0.03 0.00 -0.43 0.00 0.00 46.19 44.38 2kb4 s LEU 135 CO 0.02 0.16 -0.08 0.54 -0.29 0.00 0.00 176.35 176.70 2kb4 s VAL 136 N 0.22 3.57 -0.20 1.68 0.11 0.52 0.00 120.40 126.29 2kb4 s VAL 136 Ca -0.12 -0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 58.40 2kb4 s VAL 136 Cb -0.16 -2.49 -0.00 0.00 -1.53 0.00 0.00 36.38 32.20 2kb4 s VAL 136 CO 0.06 0.55 -0.09 0.12 -3.33 0.00 0.00 175.10 172.42 2kb4 s PHE 137 N -0.24 2.90 0.32 1.54 5.36 -0.35 -0.12 117.98 127.40 2kb4 s PHE 137 Ca 0.03 -1.04 0.07 0.00 -0.96 0.00 0.00 56.93 55.04 2kb4 s PHE 137 Cb -0.13 -2.03 -0.06 0.00 -0.34 0.00 0.00 43.02 40.46 2kb4 s PHE 137 CO 0.03 -0.55 -0.05 -0.51 -1.46 0.00 0.00 175.22 172.67 2kb4 s LEU 138 N 1.28 2.59 0.10 6.12 2.01 -0.60 0.37 118.68 130.56 2kb4 s LEU 138 Ca 0.03 -1.23 -0.31 0.00 0.01 0.00 0.00 54.13 52.63 2kb4 s LEU 138 Cb -0.14 -0.77 -0.07 0.00 0.01 0.00 0.00 46.19 45.22 2kb4 s LEU 138 CO -0.04 -0.33 1.31 0.00 1.01 0.00 0.00 176.35 178.29 2kb4 s ALA 139 N -2.86 3.51 0.23 4.21 0.00 -1.26 -2.07 121.76 123.51 2kb4 s ALA 139 Ca 0.32 1.01 0.01 0.00 0.00 0.00 0.00 51.96 53.29 2kb4 s ALA 139 Cb 0.05 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.68 2kb4 s ALA 139 CO 0.15 -0.53 0.05 0.41 0.00 0.00 0.00 175.76 175.83 2kb4 n GLY 140 N 3.31 3.63 3.71 0.00 0.00 -1.25 -4.69 105.19 109.90 2kb4 n GLY 140 Ca 0.10 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 2kb4 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb4 s PRO 141 N -2.85 4.52 -0.52 1.61 0.02 -1.25 -4.62 135.00 131.91 2kb4 s PRO 141 Ca 0.04 1.45 -0.19 0.00 0.02 0.00 0.00 61.00 62.33 2kb4 s PRO 141 Cb -0.00 -3.47 0.07 0.00 0.02 0.00 0.00 34.50 31.12 2kb4 s PRO 141 CO 0.03 -0.13 0.61 0.00 -0.33 0.00 0.00 177.00 177.17 2kb4 s ALA 142 N 1.24 3.42 -2.00 -1.55 0.00 -1.25 -4.29 121.76 117.33 2kb4 s ALA 142 Ca 0.52 -1.90 0.23 0.00 0.00 0.00 0.00 51.96 50.82 2kb4 s ALA 142 Cb -0.21 -3.35 1.40 0.00 0.00 0.00 0.00 23.12 20.96 2kb4 s ALA 142 CO 0.26 -2.04 1.77 -1.91 0.00 0.00 0.00 175.76 173.84