#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k70 n SER 2 N 0.00 0.00 -3.59 1.61 3.41 -1.26 -5.09 113.62 108.71 2k70 n SER 2 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 2k70 n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2k70 n SER 2 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2k70 s PHE 3 N -2.00 -0.67 -0.94 7.33 -0.71 -1.26 -5.11 117.98 114.61 2k70 s PHE 3 Ca 0.00 1.39 -0.00 0.00 -1.04 0.00 0.00 56.93 57.28 2k70 s PHE 3 Cb 0.00 0.32 0.32 0.00 -1.21 0.00 0.00 43.02 42.45 2k70 s PHE 3 CO 0.00 -0.49 1.52 0.25 -1.34 0.00 0.00 175.22 175.17 2k70 n THR 4 N 1.72 5.17 -2.13 -4.49 -2.24 -1.26 -4.53 114.28 106.52 2k70 n THR 4 Ca -0.17 -5.86 -0.41 0.00 -2.27 0.00 0.00 64.05 55.34 2k70 n THR 4 Cb 0.56 -1.69 -0.01 0.00 -2.10 0.00 0.00 70.33 67.09 2k70 n THR 4 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2k70 n GLU 5 N 0.31 2.74 -4.19 -0.78 2.13 -1.26 -4.79 120.64 114.80 2k70 n GLU 5 Ca 0.38 -2.84 -0.17 0.00 0.66 0.00 0.00 57.16 55.19 2k70 n GLU 5 Cb 0.31 -3.41 -0.06 0.00 0.27 0.00 0.00 31.44 28.55 2k70 n GLU 5 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k70 s GLY 6 N 4.26 1.93 0.07 8.31 0.00 -1.26 -4.46 107.32 116.17 2k70 s GLY 6 Ca 0.54 -1.81 -0.12 0.00 0.00 0.00 0.00 44.72 43.33 2k70 s GLY 6 CO 0.04 -1.24 0.26 0.66 0.00 0.00 0.00 173.10 172.82 2k70 s TRP 7 N -3.23 -0.01 -0.01 1.90 -2.14 -0.84 -4.13 118.94 110.47 2k70 s TRP 7 Ca 0.36 -0.25 -0.07 0.00 2.66 0.00 0.00 56.10 58.79 2k70 s TRP 7 Cb 0.01 0.05 -0.05 0.00 -3.10 0.00 0.00 33.47 30.38 2k70 s TRP 7 CO 0.24 -0.53 0.26 0.08 -2.66 0.00 0.00 176.95 174.34 2k70 s VAL 8 N -3.11 5.31 0.01 -0.66 1.01 0.02 -0.99 120.40 122.00 2k70 s VAL 8 Ca -0.01 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 2k70 s VAL 8 Cb 0.01 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2k70 s VAL 8 CO -0.07 0.42 1.24 -0.60 0.00 0.00 0.00 175.10 176.09 2k70 s ARG 9 N -1.61 4.37 0.36 2.72 3.52 0.40 -1.07 118.95 127.64 2k70 s ARG 9 Ca 0.26 1.78 -0.16 0.00 -0.13 0.00 0.00 55.73 57.48 2k70 s ARG 9 Cb -0.13 -3.47 -0.12 0.00 -1.56 0.00 0.00 34.95 29.67 2k70 s ARG 9 CO 0.14 -0.39 -0.02 0.34 -0.81 0.00 0.00 175.30 174.56 2k70 n PHE 10 N 4.68 -2.02 -3.56 5.12 7.35 -0.15 -4.44 117.46 124.45 2k70 n PHE 10 Ca 0.11 0.43 -0.17 0.00 -0.76 0.00 0.00 57.45 57.06 2k70 n PHE 10 Cb 0.46 -1.39 -0.06 0.00 0.35 0.00 0.00 39.48 38.84 2k70 n PHE 10 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2k70 s SER 11 N -0.80 -0.68 0.00 -2.13 0.15 0.27 -4.83 113.70 105.67 2k70 s SER 11 Ca 0.46 0.95 0.28 0.00 0.70 0.00 0.00 55.95 58.34 2k70 s SER 11 Cb -0.45 0.83 1.00 0.00 -1.71 0.00 0.00 66.02 65.69 2k70 s SER 11 CO 0.52 -0.49 1.73 -0.81 1.20 0.00 0.00 173.24 175.39 2k70 n PRO 12 N 1.48 0.44 -3.55 5.44 -0.04 -1.26 -3.86 135.00 133.66 2k70 n PRO 12 Ca -0.17 -0.18 -0.14 0.00 -0.04 0.00 0.00 63.50 62.96 2k70 n PRO 12 Cb 0.56 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 2k70 n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k70 n GLY 13 N 1.37 3.33 0.23 0.55 0.00 -1.26 -5.06 105.19 104.35 2k70 n GLY 13 Ca 0.11 -1.88 0.16 0.00 0.00 0.00 0.00 46.02 44.41 2k70 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k70 h PRO 14 N 0.00 0.00 -5.82 1.61 0.13 -1.95 -3.43 132.00 122.54 2k70 h PRO 14 Ca -0.17 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.32 2k70 h PRO 14 Cb 0.82 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.89 2k70 h PRO 14 CO 0.26 0.00 -0.39 -0.80 -0.23 0.00 0.00 178.00 176.84 2k70 s ASN 15 N -5.05 6.50 0.24 1.44 -0.87 -1.26 -1.05 114.94 114.90 2k70 s ASN 15 Ca 0.01 0.59 -0.04 0.00 -1.57 0.00 0.00 52.86 51.85 2k70 s ASN 15 Cb 0.09 -2.11 0.02 0.00 -0.02 0.00 0.00 41.25 39.23 2k70 s ASN 15 CO 0.46 0.33 0.39 0.00 -2.57 0.00 0.00 177.10 175.70 2k70 n ALA 16 N 1.57 -0.52 -3.22 0.60 0.00 0.20 -4.83 120.51 114.32 2k70 n ALA 16 Ca -0.15 -1.01 -0.13 0.00 0.00 0.00 0.00 53.44 52.14 2k70 n ALA 16 Cb 0.54 0.81 -0.07 0.00 0.00 0.00 0.00 19.45 20.73 2k70 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k70 s ALA 17 N -2.18 -0.98 -0.16 0.00 0.00 -1.26 -0.82 121.76 116.38 2k70 s ALA 17 Ca 0.17 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2k70 s ALA 17 Cb -0.01 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2k70 s ALA 17 CO 0.12 -0.36 -0.18 0.00 0.00 0.00 0.00 175.76 175.34 2k70 s ALA 18 N -1.88 2.39 -0.94 0.00 0.00 0.60 -0.45 121.76 121.48 2k70 s ALA 18 Ca -0.09 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 2k70 s ALA 18 Cb -0.02 -1.15 0.33 0.00 0.00 0.00 0.00 23.12 22.28 2k70 s ALA 18 CO 0.02 -0.09 1.79 0.66 0.00 0.00 0.00 175.76 178.13 2k70 n TYR 19 N 4.17 2.94 -1.57 0.00 4.01 -0.16 -2.65 117.16 123.91 2k70 n TYR 19 Ca -0.20 -2.63 -0.30 0.00 -0.16 0.00 0.00 57.90 54.61 2k70 n TYR 19 Cb 0.51 -1.11 0.07 0.00 -0.31 0.00 0.00 39.34 38.51 2k70 n TYR 19 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 2k70 s LEU 20 N -4.19 2.81 -0.05 7.72 0.05 -1.24 -1.99 118.68 121.79 2k70 s LEU 20 Ca 0.43 1.42 -0.04 0.00 0.05 0.00 0.00 54.13 55.99 2k70 s LEU 20 Cb 0.26 -4.14 0.02 0.00 -2.05 0.00 0.00 46.19 40.28 2k70 s LEU 20 CO -0.20 -1.75 0.13 -0.89 -0.55 0.00 0.00 176.35 173.09 2k70 s THR 21 N -3.12 -0.01 0.09 5.48 2.01 -1.26 -1.45 115.64 117.38 2k70 s THR 21 Ca 0.60 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.67 2k70 s THR 21 Cb -0.14 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 2k70 s THR 21 CO 0.54 0.02 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.66 2k70 s LEU 22 N 0.36 2.43 0.55 4.42 2.01 -0.58 -4.19 118.68 123.67 2k70 s LEU 22 Ca -0.02 -0.85 -0.07 0.00 0.01 0.00 0.00 54.13 53.19 2k70 s LEU 22 Cb -0.04 -0.15 -0.03 0.00 0.01 0.00 0.00 46.19 45.98 2k70 s LEU 22 CO -0.01 -0.35 0.88 -1.61 1.01 0.00 0.00 176.35 176.27 2k70 s GLU 23 N -3.05 3.44 -0.73 1.70 8.01 -1.26 0.51 118.70 127.32 2k70 s GLU 23 Ca 0.05 0.33 -0.16 0.00 0.01 0.00 0.00 54.97 55.21 2k70 s GLU 23 Cb -0.00 -2.26 0.17 0.00 -4.31 0.00 0.00 34.13 27.72 2k70 s GLU 23 CO -0.02 -0.42 0.73 1.21 0.01 0.00 0.00 175.26 176.77 2k70 s ASN 24 N -4.17 6.50 0.00 -0.19 2.47 0.17 -4.59 114.94 115.12 2k70 s ASN 24 Ca 0.51 -2.17 0.29 0.00 0.42 0.00 0.00 52.86 51.91 2k70 s ASN 24 Cb -0.11 -2.25 1.41 0.00 -1.45 0.00 0.00 41.25 38.86 2k70 s ASN 24 CO 0.48 -0.80 1.98 -0.81 -3.72 0.00 0.00 177.10 174.23 2k70 n PRO 25 N 5.01 0.35 -1.71 0.43 -0.04 -1.26 -1.47 135.00 136.31 2k70 n PRO 25 Ca 0.04 0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 63.21 2k70 n PRO 25 Cb 0.45 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.48 2k70 n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k70 s GLY 26 N -2.63 1.63 0.00 0.55 0.00 -1.26 -4.80 107.32 100.81 2k70 s GLY 26 Ca 0.25 -0.26 0.27 0.00 0.00 0.00 0.00 44.72 44.99 2k70 s GLY 26 CO 0.45 0.13 1.70 1.34 0.00 0.00 0.00 173.10 176.72 2k70 n ASP 27 N -3.23 0.64 -4.56 1.64 2.03 -1.26 -3.21 116.55 108.60 2k70 n ASP 27 Ca 0.07 -0.57 -0.24 0.00 0.52 0.00 0.00 54.79 54.57 2k70 n ASP 27 Cb 0.57 0.02 -0.09 0.00 -0.72 0.00 0.00 41.12 40.90 2k70 n ASP 27 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2k70 s LEU 28 N -2.59 2.91 0.36 -2.67 0.05 -1.26 -4.77 118.68 110.71 2k70 s LEU 28 Ca 0.24 -0.79 -0.25 0.00 0.05 0.00 0.00 54.13 53.38 2k70 s LEU 28 Cb 0.19 -1.46 -0.10 0.00 -2.05 0.00 0.00 46.19 42.78 2k70 s LEU 28 CO 0.52 0.03 0.99 -2.16 -0.55 0.00 0.00 176.35 175.19 2k70 s PRO 29 N -3.48 4.40 -0.06 1.48 0.04 -1.26 -3.85 135.00 132.27 2k70 s PRO 29 Ca 0.30 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.68 2k70 s PRO 29 Cb -0.06 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2k70 s PRO 29 CO 0.17 0.09 0.19 -0.51 0.04 0.00 0.00 177.00 176.98 2k70 s LEU 30 N -2.34 4.38 -0.33 -3.56 1.43 0.06 -4.94 118.68 113.38 2k70 s LEU 30 Ca 0.54 0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2k70 s LEU 30 Cb -0.20 -2.37 0.11 0.00 0.03 0.00 0.00 46.19 43.76 2k70 s LEU 30 CO 0.25 0.33 0.12 -0.60 0.23 0.00 0.00 176.35 176.68 2k70 s ARG 31 N -1.46 0.81 -0.45 1.70 6.06 -1.26 -0.10 118.95 124.24 2k70 s ARG 31 Ca 0.22 -1.23 -0.21 0.00 -2.50 0.00 0.00 55.73 52.00 2k70 s ARG 31 Cb -0.13 -2.05 0.03 0.00 0.06 0.00 0.00 34.95 32.86 2k70 s ARG 31 CO 0.11 -1.02 0.67 -1.17 -2.50 0.00 0.00 175.30 171.40 2k70 s LEU 32 N 1.41 4.50 -0.05 -0.88 2.96 0.25 -0.97 118.68 125.90 2k70 s LEU 32 Ca 0.11 -0.38 0.17 0.00 -0.22 0.00 0.00 54.13 53.81 2k70 s LEU 32 Cb -0.18 -2.73 -0.26 0.00 0.50 0.00 0.00 46.19 43.51 2k70 s LEU 32 CO -0.21 -0.83 0.32 1.33 -1.32 0.00 0.00 176.35 175.64 2k70 n VAL 33 N 5.88 0.23 -3.63 1.68 0.24 -0.03 -0.55 118.33 122.16 2k70 n VAL 33 Ca -0.02 -0.47 -0.07 0.00 -2.04 0.00 0.00 64.34 61.74 2k70 n VAL 33 Cb 0.48 -0.04 0.01 0.00 -1.47 0.00 0.00 33.84 32.82 2k70 n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k70 n GLY 34 N 1.59 1.47 3.53 7.63 0.00 -1.02 -4.71 105.19 113.68 2k70 n GLY 34 Ca -0.08 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 2k70 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k70 s ALA 35 N -1.90 0.60 0.17 4.61 0.00 -1.26 -1.25 121.76 122.73 2k70 s ALA 35 Ca 0.13 -1.43 -0.21 0.00 0.00 0.00 0.00 51.96 50.45 2k70 s ALA 35 Cb -0.03 1.10 0.06 0.00 0.00 0.00 0.00 23.12 24.25 2k70 s ALA 35 CO 0.10 -0.81 0.58 0.50 0.00 0.00 0.00 175.76 176.12 2k70 s ARG 36 N -2.99 1.30 -0.24 0.00 3.00 0.07 -4.84 118.95 115.25 2k70 s ARG 36 Ca 0.29 -0.57 -0.32 0.00 -1.00 0.00 0.00 55.73 54.13 2k70 s ARG 36 Cb -0.01 0.57 0.16 0.00 0.00 0.00 0.00 34.95 35.67 2k70 s ARG 36 CO 0.19 -0.56 1.26 -0.08 0.00 0.00 0.00 175.30 176.11 2k70 s THR 37 N -3.78 0.00 -0.11 4.11 -1.32 -1.26 -0.64 115.64 112.64 2k70 s THR 37 Ca 0.03 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.80 2k70 s THR 37 Cb -0.01 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.35 2k70 s THR 37 CO -0.11 0.00 1.83 1.55 -2.21 0.00 0.00 174.62 175.68 2k70 h PRO 38 N 2.11 0.00 -1.02 7.08 0.13 -2.02 -3.31 132.00 134.97 2k70 h PRO 38 Ca -0.09 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.46 2k70 h PRO 38 Cb 1.17 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.01 2k70 h PRO 38 CO 0.23 0.01 0.74 1.33 -0.23 0.00 0.00 178.00 180.09 2k70 n VAL 39 N -3.10 3.35 -3.63 1.56 0.24 -1.26 -4.41 118.33 111.08 2k70 n VAL 39 Ca 0.02 -2.35 -0.15 0.00 -2.04 0.00 0.00 64.34 59.82 2k70 n VAL 39 Cb 0.40 -0.85 -0.07 0.00 -1.47 0.00 0.00 33.84 31.84 2k70 n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k70 s ALA 40 N -3.42 -1.61 -0.22 2.33 0.00 -1.25 -3.89 121.76 113.71 2k70 s ALA 40 Ca 0.58 1.63 -0.20 0.00 0.00 0.00 0.00 51.96 53.98 2k70 s ALA 40 Cb 0.47 -0.74 -0.18 0.00 0.00 0.00 0.00 23.12 22.67 2k70 s ALA 40 CO 0.04 -0.32 0.13 -1.91 0.00 0.00 0.00 175.76 173.70 2k70 n GLU 41 N 2.19 0.58 -4.45 0.00 2.13 0.38 -4.73 120.64 116.74 2k70 n GLU 41 Ca -0.16 0.51 -0.24 0.00 0.66 0.00 0.00 57.16 57.94 2k70 n GLU 41 Cb 0.56 -1.71 -0.10 0.00 0.27 0.00 0.00 31.44 30.47 2k70 n GLU 41 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2k70 s ARG 42 N -2.40 1.77 -0.01 5.31 3.00 -0.94 -5.03 118.95 120.66 2k70 s ARG 42 Ca -0.30 -1.72 -0.04 0.00 0.00 0.00 0.00 55.73 53.67 2k70 s ARG 42 Cb 0.07 -1.82 -0.00 0.00 0.00 0.00 0.00 34.95 33.20 2k70 s ARG 42 CO 0.58 0.33 0.07 0.54 0.00 0.00 0.00 175.30 176.83 2k70 s VAL 43 N -2.49 0.05 0.07 3.52 0.11 -1.26 -1.12 120.40 119.28 2k70 s VAL 43 Ca 0.30 -0.43 0.06 0.00 -2.93 0.00 0.00 61.98 58.98 2k70 s VAL 43 Cb -0.05 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2k70 s VAL 43 CO 0.16 -0.24 -0.15 -1.61 -3.33 0.00 0.00 175.10 169.93 2k70 s GLU 44 N -0.76 0.91 -0.26 1.54 2.02 0.03 -4.99 118.70 117.19 2k70 s GLU 44 Ca -0.08 -0.94 -0.10 0.00 0.02 0.00 0.00 54.97 53.87 2k70 s GLU 44 Cb -0.05 -0.96 -0.05 0.00 0.10 0.00 0.00 34.13 33.17 2k70 s GLU 44 CO 0.00 0.22 0.16 -1.17 0.02 0.00 0.00 175.26 174.50 2k70 s LEU 45 N -1.59 3.93 0.17 1.80 2.96 -1.26 -0.16 118.68 124.53 2k70 s LEU 45 Ca 0.00 -0.02 0.09 0.00 -0.22 0.00 0.00 54.13 53.99 2k70 s LEU 45 Cb -0.09 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2k70 s LEU 45 CO 0.02 -0.02 -0.20 -1.00 -1.32 0.00 0.00 176.35 173.83 2k70 s HIS 46 N 1.56 1.95 0.59 5.38 3.76 -0.05 -0.42 115.29 128.07 2k70 s HIS 46 Ca 0.07 -0.43 0.10 0.00 -0.15 0.00 0.00 55.06 54.64 2k70 s HIS 46 Cb -0.15 -0.98 0.09 0.00 1.11 0.00 0.00 32.58 32.65 2k70 s HIS 46 CO 0.08 0.36 0.80 -1.83 -0.85 0.00 0.00 174.74 173.30 2k70 s GLU 47 N -2.65 2.23 -0.10 1.40 -1.05 -0.08 -1.10 118.70 117.36 2k70 s GLU 47 Ca 0.16 -1.73 -0.04 0.00 -0.15 0.00 0.00 54.97 53.21 2k70 s GLU 47 Cb -0.07 -2.59 0.05 0.00 -0.44 0.00 0.00 34.13 31.07 2k70 s GLU 47 CO 0.07 -0.93 0.22 0.99 0.95 0.00 0.00 175.26 176.56 2k70 s THR 48 N -2.72 -0.09 0.29 1.83 2.01 0.98 -3.36 115.64 114.58 2k70 s THR 48 Ca 0.61 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.83 2k70 s THR 48 Cb -0.05 -0.35 -0.06 0.00 0.01 0.00 0.00 72.50 72.06 2k70 s THR 48 CO 0.39 0.07 0.03 0.72 -0.69 0.00 0.00 174.62 175.14 2k70 s PHE 49 N 1.42 1.81 0.05 4.92 -0.12 0.05 -4.36 117.98 121.75 2k70 s PHE 49 Ca -0.08 -0.93 0.04 0.00 -0.05 0.00 0.00 56.93 55.91 2k70 s PHE 49 Cb -0.11 -1.12 -0.04 0.00 -0.63 0.00 0.00 43.02 41.13 2k70 s PHE 49 CO -0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 175.22 175.08 2k70 s MET 50 N -3.87 2.58 -0.01 1.99 0.23 -1.26 -1.00 119.30 117.96 2k70 s MET 50 Ca 0.33 -0.77 -0.26 0.00 -1.03 0.00 0.00 55.69 53.96 2k70 s MET 50 Cb 0.07 -2.55 0.06 0.00 -1.53 0.00 0.00 34.83 30.88 2k70 s MET 50 CO 0.13 0.57 0.58 0.50 -2.03 0.00 0.00 175.02 174.77 2k70 s ARG 51 N -1.95 1.01 -0.04 3.16 3.00 -0.20 -4.93 118.95 118.99 2k70 s ARG 51 Ca 0.22 0.03 -0.02 0.00 -1.00 0.00 0.00 55.73 54.96 2k70 s ARG 51 Cb -0.11 0.47 -0.04 0.00 0.00 0.00 0.00 34.95 35.27 2k70 s ARG 51 CO 0.14 -0.33 0.08 -2.00 0.00 0.00 0.00 175.30 173.19 2k70 s GLU 52 N -1.67 3.15 -0.26 5.12 2.56 -1.26 -0.01 118.70 126.33 2k70 s GLU 52 Ca -0.09 -0.39 -0.24 0.00 0.00 0.00 0.00 54.97 54.25 2k70 s GLU 52 Cb -0.01 -2.93 0.07 0.00 2.00 0.00 0.00 34.13 33.26 2k70 s GLU 52 CO 0.05 0.69 0.68 0.54 -0.56 0.00 0.00 175.26 176.66 2k70 s VAL 53 N -1.11 -0.00 -1.71 3.70 0.11 0.16 -4.92 120.40 116.63 2k70 s VAL 53 Ca 0.20 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2k70 s VAL 53 Cb -0.12 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 2k70 s VAL 53 CO 0.10 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.08 2k70 n GLU 54 N 2.72 -1.44 -1.18 1.54 2.13 -1.26 -1.59 120.64 121.57 2k70 n GLU 54 Ca -0.14 0.98 -0.06 0.00 0.66 0.00 0.00 57.16 58.60 2k70 n GLU 54 Cb 0.55 -5.44 -0.03 0.00 0.27 0.00 0.00 31.44 26.79 2k70 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k70 n GLY 55 N -0.92 0.84 2.93 8.31 0.00 -1.26 -5.01 105.19 110.07 2k70 n GLY 55 Ca -0.21 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 2k70 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k70 s LYS 56 N -2.28 1.12 0.09 1.61 1.02 -0.62 -5.13 119.74 115.55 2k70 s LYS 56 Ca 0.00 -0.20 -0.31 0.00 0.02 0.00 0.00 55.97 55.48 2k70 s LYS 56 Cb 0.00 -1.04 -0.07 0.00 -0.52 0.00 0.00 37.83 36.20 2k70 s LYS 56 CO 0.00 -0.05 1.31 -1.59 -0.92 0.00 0.00 175.35 174.09 2k70 s LYS 57 N 0.87 4.37 0.28 1.68 0.00 -1.26 -0.67 119.74 125.01 2k70 s LYS 57 Ca -0.12 1.94 0.02 0.00 0.00 0.00 0.00 55.97 57.82 2k70 s LYS 57 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 37.83 34.36 2k70 s LYS 57 CO 0.01 -0.36 0.25 0.14 0.00 0.00 0.00 175.35 175.40 2k70 s VAL 58 N 1.06 0.00 0.28 1.79 -7.23 0.99 -4.98 120.40 112.31 2k70 s VAL 58 Ca 0.62 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.95 2k70 s VAL 58 Cb -0.34 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.05 2k70 s VAL 58 CO 0.30 0.00 -0.11 -0.04 -0.31 0.00 0.00 175.10 174.94 2k70 s MET 59 N -3.71 1.60 0.31 4.82 -1.94 -1.26 -1.03 119.30 118.09 2k70 s MET 59 Ca 0.38 -1.78 -0.08 0.00 -1.71 0.00 0.00 55.69 52.50 2k70 s MET 59 Cb 0.04 -1.41 0.03 0.00 2.01 0.00 0.00 34.83 35.49 2k70 s MET 59 CO 0.20 0.15 0.55 0.41 -0.01 0.00 0.00 175.02 176.33 2k70 n GLY 60 N -0.60 1.61 3.39 -0.03 0.00 -0.17 -4.92 105.19 104.46 2k70 n GLY 60 Ca -0.06 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 2k70 n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k70 s MET 61 N -2.32 0.83 0.08 1.61 1.75 -1.26 -0.77 119.30 119.21 2k70 s MET 61 Ca 0.18 0.14 -0.26 0.00 -1.25 0.00 0.00 55.69 54.50 2k70 s MET 61 Cb -0.03 0.38 0.07 0.00 2.84 0.00 0.00 34.83 38.10 2k70 s MET 61 CO 0.13 -0.23 0.65 -0.98 -0.65 0.00 0.00 175.02 173.94 2k70 s ARG 62 N -1.03 1.18 0.60 4.11 1.70 -1.21 -4.99 118.95 119.31 2k70 s ARG 62 Ca -0.10 -0.20 -0.15 0.00 -0.47 0.00 0.00 55.73 54.80 2k70 s ARG 62 Cb -0.03 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 2k70 s ARG 62 CO 0.06 -0.47 1.05 -1.25 -1.08 0.00 0.00 175.30 173.62 2k70 s PRO 63 N -2.80 3.29 0.03 3.89 0.04 -1.26 -0.90 135.00 137.29 2k70 s PRO 63 Ca -0.03 1.16 -0.00 0.00 0.04 0.00 0.00 61.00 62.16 2k70 s PRO 63 Cb -0.01 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2k70 s PRO 63 CO -0.05 -0.83 -0.03 0.14 0.04 0.00 0.00 177.00 176.28 2k70 s VAL 64 N -2.55 0.16 -0.18 -0.36 -7.23 0.44 -4.78 120.40 105.90 2k70 s VAL 64 Ca 0.63 -1.34 0.16 0.00 -1.81 0.00 0.00 61.98 59.62 2k70 s VAL 64 Cb -0.15 -0.86 0.04 0.00 0.56 0.00 0.00 36.38 35.97 2k70 s VAL 64 CO 0.39 -0.74 1.30 1.55 -0.31 0.00 0.00 175.10 177.30 2k70 h PRO 65 N 3.94 0.00 -1.18 4.82 0.13 -1.94 -3.42 132.00 134.36 2k70 h PRO 65 Ca -0.33 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.13 2k70 h PRO 65 Cb 1.18 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.13 2k70 h PRO 65 CO 0.53 0.39 0.93 -0.59 -0.23 0.00 0.00 178.00 179.03 2k70 s PHE 66 N -3.00 -0.04 0.14 1.56 -0.71 -1.26 -4.72 117.98 109.96 2k70 s PHE 66 Ca 0.03 0.01 0.06 0.00 -1.04 0.00 0.00 56.93 55.99 2k70 s PHE 66 Cb 0.08 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.36 2k70 s PHE 66 CO 0.76 -0.09 0.01 -0.51 -1.34 0.00 0.00 175.22 174.05 2k70 s LEU 67 N -2.35 3.41 -0.04 -1.99 1.43 0.29 -4.97 118.68 114.47 2k70 s LEU 67 Ca 0.12 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 2k70 s LEU 67 Cb 0.01 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 2k70 s LEU 67 CO -0.04 0.12 -0.24 -0.70 0.23 0.00 0.00 176.35 175.72 2k70 s GLU 68 N -2.73 2.20 -0.02 1.70 2.56 -1.26 -0.59 118.70 120.55 2k70 s GLU 68 Ca 0.27 -0.85 -0.00 0.00 0.00 0.00 0.00 54.97 54.39 2k70 s GLU 68 Cb -0.10 -1.97 0.03 0.00 2.00 0.00 0.00 34.13 34.09 2k70 s GLU 68 CO 0.19 0.42 0.04 0.08 -0.56 0.00 0.00 175.26 175.43 2k70 s VAL 69 N -0.31 -0.05 0.86 3.70 1.01 0.86 -5.00 120.40 121.45 2k70 s VAL 69 Ca 0.02 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 2k70 s VAL 69 Cb -0.12 -0.09 0.10 0.00 0.00 0.00 0.00 36.38 36.28 2k70 s VAL 69 CO 0.01 0.08 1.09 -2.16 0.00 0.00 0.00 175.10 174.13 2k70 s PRO 70 N 0.98 1.59 0.39 2.72 0.04 -1.26 -0.76 135.00 138.70 2k70 s PRO 70 Ca -0.08 0.89 -0.28 0.00 0.04 0.00 0.00 61.00 61.57 2k70 s PRO 70 Cb -0.12 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 2k70 s PRO 70 CO -0.03 -2.03 1.49 -1.25 0.04 0.00 0.00 177.00 175.22 2k70 s PRO 71 N -4.95 4.04 0.00 0.56 0.04 -1.25 -1.95 135.00 131.48 2k70 s PRO 71 Ca 0.63 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.24 2k70 s PRO 71 Cb -0.17 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2k70 s PRO 71 CO 0.56 -0.60 0.00 1.63 0.04 0.00 0.00 177.00 178.64 2k70 n LYS 72 N 0.35 -0.11 -0.88 4.56 4.76 -0.54 -4.98 118.16 121.32 2k70 n LYS 72 Ca 0.02 0.03 -0.16 0.00 -2.87 0.00 0.00 58.31 55.33 2k70 n LYS 72 Cb 0.39 -3.96 0.12 0.00 -1.84 0.00 0.00 35.03 29.74 2k70 n LYS 72 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k70 n GLY 73 N -1.86 -1.70 2.87 0.72 0.00 -0.82 -4.86 105.19 99.54 2k70 n GLY 73 Ca 0.00 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 2k70 n GLY 73 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k70 s ARG 74 N -4.47 0.09 -1.05 1.61 1.70 -1.26 -0.66 118.95 114.90 2k70 s ARG 74 Ca 0.39 -0.01 -0.04 0.00 -0.47 0.00 0.00 55.73 55.60 2k70 s ARG 74 Cb -0.02 -0.12 0.17 0.00 -0.57 0.00 0.00 34.95 34.41 2k70 s ARG 74 CO 0.28 -0.01 2.33 0.28 -1.08 0.00 0.00 175.30 177.10 2k70 n VAL 75 N 3.23 4.92 -2.76 4.99 0.31 0.18 -4.86 118.33 124.34 2k70 n VAL 75 Ca -0.15 -4.39 -0.42 0.00 -0.01 0.00 0.00 64.34 59.37 2k70 n VAL 75 Cb 0.58 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.68 2k70 n VAL 75 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2k70 s GLU 76 N -2.14 4.39 -0.05 5.55 -1.05 -1.24 -1.53 118.70 122.64 2k70 s GLU 76 Ca 0.52 1.28 -0.22 0.00 -0.15 0.00 0.00 54.97 56.40 2k70 s GLU 76 Cb 0.25 -3.54 -0.16 0.00 -0.44 0.00 0.00 34.13 30.23 2k70 s GLU 76 CO -0.15 -0.29 0.92 -0.07 0.95 0.00 0.00 175.26 176.61 2k70 h LEU 77 N 8.01 -0.17 -0.65 1.83 4.07 -1.52 -3.49 115.31 123.39 2k70 h LEU 77 Ca -0.31 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.28 2k70 h LEU 77 Cb 1.15 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.93 2k70 h LEU 77 CO 0.84 0.38 -0.00 2.29 -1.08 0.00 0.00 178.44 180.87 2k70 n LYS 78 N -4.92 -0.02 0.16 1.13 0.00 -1.20 -2.98 118.16 110.34 2k70 n LYS 78 Ca -0.08 0.33 0.12 0.00 -0.00 0.00 0.00 58.31 58.69 2k70 n LYS 78 Cb 0.27 -0.01 0.57 0.00 -0.00 0.00 0.00 35.03 35.86 2k70 n LYS 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2k70 h PRO 79 N 0.01 0.00 -0.18 -1.58 0.13 -1.91 -1.42 132.00 127.05 2k70 h PRO 79 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k70 h PRO 79 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k70 h PRO 79 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 2k70 n GLY 80 N -0.59 0.23 0.00 1.56 0.00 -1.26 -4.78 105.19 100.35 2k70 n GLY 80 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2k70 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k70 n GLY 81 N 1.09 0.00 3.12 -0.02 0.00 -0.62 -4.82 105.19 103.94 2k70 n GLY 81 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2k70 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k70 s TYR 82 N -0.26 -0.06 0.02 1.61 2.02 -0.68 -0.01 117.35 120.00 2k70 s TYR 82 Ca 0.00 0.09 -0.28 0.00 -0.37 0.00 0.00 57.07 56.52 2k70 s TYR 82 Cb 0.00 0.01 0.08 0.00 -0.40 0.00 0.00 41.96 41.65 2k70 s TYR 82 CO 0.00 -0.26 0.72 -3.38 -1.57 0.00 0.00 175.55 171.06 2k70 s HIS 83 N -1.03 -0.53 0.17 2.71 -3.43 -0.26 -3.22 115.29 109.71 2k70 s HIS 83 Ca -0.11 0.62 -0.30 0.00 -0.80 0.00 0.00 55.06 54.47 2k70 s HIS 83 Cb -0.06 0.49 -0.07 0.00 -1.43 0.00 0.00 32.58 31.51 2k70 s HIS 83 CO 0.02 -0.66 0.94 -0.06 -2.00 0.00 0.00 174.74 172.98 2k70 s PHE 84 N -2.46 3.89 -0.06 0.38 0.08 -1.08 -0.87 117.98 117.86 2k70 s PHE 84 Ca -0.03 1.84 -0.25 0.00 0.12 0.00 0.00 56.93 58.61 2k70 s PHE 84 Cb -0.01 -3.00 -0.03 0.00 -0.57 0.00 0.00 43.02 39.41 2k70 s PHE 84 CO -0.03 0.33 0.76 1.41 -0.10 0.00 0.00 175.22 177.59 2k70 s MET 85 N -0.56 4.46 -0.17 0.44 1.75 0.78 -0.29 119.30 125.70 2k70 s MET 85 Ca 0.44 0.99 -0.03 0.00 -1.25 0.00 0.00 55.69 55.84 2k70 s MET 85 Cb -0.24 -3.45 -0.02 0.00 2.84 0.00 0.00 34.83 33.95 2k70 s MET 85 CO 0.30 0.03 -0.07 -0.51 -0.65 0.00 0.00 175.02 174.12 2k70 s LEU 86 N 0.89 2.96 -0.13 4.11 1.02 0.00 -0.79 118.68 126.74 2k70 s LEU 86 Ca 0.40 -0.28 0.01 0.00 0.02 0.00 0.00 54.13 54.28 2k70 s LEU 86 Cb -0.18 -1.71 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 2k70 s LEU 86 CO 0.20 0.10 -0.16 -0.76 0.02 0.00 0.00 176.35 175.75 2k70 s LEU 87 N 0.76 2.52 -0.10 1.79 2.01 -0.28 -0.63 118.68 124.75 2k70 s LEU 87 Ca -0.03 -0.42 -0.00 0.00 0.01 0.00 0.00 54.13 53.69 2k70 s LEU 87 Cb -0.15 -1.56 0.00 0.00 0.01 0.00 0.00 46.19 44.50 2k70 s LEU 87 CO 0.02 0.14 0.08 0.61 1.01 0.00 0.00 176.35 178.21 2k70 n GLY 88 N 3.68 0.64 3.34 -3.19 0.00 -0.21 -0.47 105.19 108.97 2k70 n GLY 88 Ca -0.19 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 2k70 n GLY 88 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k70 n LEU 89 N -1.02 -1.90 -0.01 0.99 -0.00 -1.15 -3.51 117.00 110.40 2k70 n LEU 89 Ca -0.01 0.70 0.01 0.00 -0.00 0.00 0.00 56.01 56.71 2k70 n LEU 89 Cb 0.51 -0.98 -0.04 0.00 -0.00 0.00 0.00 43.42 42.92 2k70 n LEU 89 CO 0.05 -4.08 -0.58 0.29 -0.00 0.00 0.00 177.39 173.07 2k70 n LYS 90 N 0.90 0.95 -2.61 1.47 4.76 -1.25 -4.89 118.16 117.49 2k70 n LYS 90 Ca 0.10 -0.03 -0.23 0.00 -2.87 0.00 0.00 58.31 55.28 2k70 n LYS 90 Cb 0.47 -1.11 0.04 0.00 -1.84 0.00 0.00 35.03 32.59 2k70 n LYS 90 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2k70 s ARG 91 N -2.26 2.60 1.36 1.97 0.52 -1.26 -5.03 118.95 116.85 2k70 s ARG 91 Ca -0.02 -0.58 -0.21 0.00 -0.52 0.00 0.00 55.73 54.40 2k70 s ARG 91 Cb 0.03 -2.43 0.34 0.00 0.52 0.00 0.00 34.95 33.41 2k70 s ARG 91 CO 0.19 -0.73 0.98 -1.25 0.02 0.00 0.00 175.30 174.51 2k70 s PRO 92 N -4.83 -2.44 -0.38 3.54 0.04 -1.26 -5.04 135.00 124.63 2k70 s PRO 92 Ca 0.56 0.13 0.01 0.00 0.04 0.00 0.00 61.00 61.74 2k70 s PRO 92 Cb -0.10 -1.44 0.12 0.00 0.04 0.00 0.00 34.50 33.12 2k70 s PRO 92 CO 0.40 -4.56 0.16 -0.51 0.04 0.00 0.00 177.00 172.53 2k70 s LEU 93 N -7.61 2.81 0.24 -3.56 1.43 -1.25 -5.01 118.68 105.73 2k70 s LEU 93 Ca 0.69 -2.19 0.04 0.00 -1.03 0.00 0.00 54.13 51.64 2k70 s LEU 93 Cb -0.13 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2k70 s LEU 93 CO 0.58 -0.34 0.37 -0.54 0.23 0.00 0.00 176.35 176.65 2k70 s LYS 94 N 0.90 3.45 0.18 1.70 -0.14 -1.26 -0.57 119.74 123.99 2k70 s LYS 94 Ca 0.14 -0.69 -0.33 0.00 -1.36 0.00 0.00 55.97 53.72 2k70 s LYS 94 Cb -0.21 -2.87 -0.14 0.00 -1.68 0.00 0.00 37.83 32.93 2k70 s LYS 94 CO -0.11 0.41 1.57 0.00 -0.76 0.00 0.00 175.35 176.46 2k70 n ALA 95 N -1.36 1.48 -0.60 5.17 0.00 -1.26 -2.53 120.51 121.41 2k70 n ALA 95 Ca -0.08 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2k70 n ALA 95 Cb 0.57 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2k70 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k70 n GLY 96 N 3.29 0.79 0.58 0.00 0.00 -1.00 -5.00 105.19 103.86 2k70 n GLY 96 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 2k70 n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k70 n GLU 97 N -2.04 -0.11 -3.67 1.61 1.02 -1.05 -4.84 120.64 111.55 2k70 n GLU 97 Ca 0.00 -0.32 -0.09 0.00 -0.02 0.00 0.00 57.16 56.73 2k70 n GLU 97 Cb 0.00 -0.19 -0.10 0.00 -0.02 0.00 0.00 31.44 31.13 2k70 n GLU 97 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k70 s GLU 98 N -3.36 0.38 -0.08 3.49 -1.05 -1.26 -0.35 118.70 116.47 2k70 s GLU 98 Ca 0.11 0.95 -0.03 0.00 -0.15 0.00 0.00 54.97 55.85 2k70 s GLU 98 Cb -0.00 0.18 0.04 0.00 -0.44 0.00 0.00 34.13 33.91 2k70 s GLU 98 CO 0.08 -0.20 0.17 0.08 0.95 0.00 0.00 175.26 176.33 2k70 s VAL 99 N 2.03 -0.16 0.46 1.83 1.01 0.10 -4.87 120.40 120.80 2k70 s VAL 99 Ca -0.06 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 2k70 s VAL 99 Cb -0.10 -0.29 -0.10 0.00 0.00 0.00 0.00 36.38 35.89 2k70 s VAL 99 CO -0.13 0.11 0.97 -1.83 0.00 0.00 0.00 175.10 174.21 2k70 s GLU 100 N 1.72 4.11 -0.01 2.72 -1.05 -1.26 -1.90 118.70 123.04 2k70 s GLU 100 Ca -0.04 1.10 -0.05 0.00 -0.15 0.00 0.00 54.97 55.83 2k70 s GLU 100 Cb -0.12 -2.16 -0.00 0.00 -0.44 0.00 0.00 34.13 31.41 2k70 s GLU 100 CO -0.06 -0.13 0.09 -0.51 0.95 0.00 0.00 175.26 175.60 2k70 s LEU 101 N -3.45 1.71 -0.27 1.83 1.43 -0.03 -4.44 118.68 115.46 2k70 s LEU 101 Ca 0.62 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 2k70 s LEU 101 Cb -0.10 0.47 0.07 0.00 0.03 0.00 0.00 46.19 46.66 2k70 s LEU 101 CO 0.19 -0.26 -0.06 -1.81 0.23 0.00 0.00 176.35 174.63 2k70 s ASP 102 N -1.01 4.37 -0.08 2.29 1.01 0.18 -0.18 116.67 123.26 2k70 s ASP 102 Ca -0.11 -1.49 -0.26 0.00 0.71 0.00 0.00 52.55 51.40 2k70 s ASP 102 Cb -0.06 -1.47 -0.03 0.00 1.01 0.00 0.00 42.92 42.37 2k70 s ASP 102 CO 0.01 -0.24 0.82 -0.76 0.21 0.00 0.00 175.17 175.21 2k70 s LEU 103 N 1.14 4.29 -0.51 1.23 1.02 -0.31 -0.75 118.68 124.79 2k70 s LEU 103 Ca -0.04 1.32 -0.17 0.00 0.02 0.00 0.00 54.13 55.26 2k70 s LEU 103 Cb -0.20 -3.27 0.09 0.00 0.02 0.00 0.00 46.19 42.83 2k70 s LEU 103 CO -0.06 -0.24 0.52 -0.76 0.02 0.00 0.00 176.35 175.82 2k70 s LEU 104 N 1.27 5.55 -0.03 1.79 1.43 -0.38 -1.92 118.68 126.40 2k70 s LEU 104 Ca 0.42 -1.34 -0.07 0.00 -1.03 0.00 0.00 54.13 52.11 2k70 s LEU 104 Cb -0.18 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 2k70 s LEU 104 CO 0.19 -0.82 0.24 -0.36 0.23 0.00 0.00 176.35 175.83 2k70 s PHE 105 N 2.03 3.60 0.17 0.29 0.08 -0.09 -0.85 117.98 123.21 2k70 s PHE 105 Ca 0.08 0.58 -0.33 0.00 0.12 0.00 0.00 56.93 57.37 2k70 s PHE 105 Cb -0.24 -1.99 -0.14 0.00 -0.57 0.00 0.00 43.02 40.08 2k70 s PHE 105 CO 0.07 0.65 1.46 0.00 -0.10 0.00 0.00 175.22 177.31 2k70 n ALA 106 N 1.39 0.80 -1.78 5.36 0.00 -0.14 -2.86 120.51 123.27 2k70 n ALA 106 Ca -0.14 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2k70 n ALA 106 Cb 0.53 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2k70 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k70 n GLY 107 N 2.81 0.87 2.32 0.00 0.00 -1.26 -4.55 105.19 105.38 2k70 n GLY 107 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2k70 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k70 n GLY 108 N -0.44 0.61 3.55 -0.02 0.00 -1.21 -5.00 105.19 102.68 2k70 n GLY 108 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2k70 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k70 s LYS 109 N -0.07 3.53 -0.12 1.61 1.02 -1.14 -5.00 119.74 119.57 2k70 s LYS 109 Ca 0.00 -0.07 -0.02 0.00 0.02 0.00 0.00 55.97 55.90 2k70 s LYS 109 Cb 0.00 -3.87 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 2k70 s LYS 109 CO 0.00 -0.88 -0.04 0.54 -0.92 0.00 0.00 175.35 174.05 2k70 s VAL 110 N 2.87 3.90 -0.21 3.17 0.11 -1.26 -0.91 120.40 128.06 2k70 s VAL 110 Ca 0.25 -0.37 -0.00 0.00 -2.93 0.00 0.00 61.98 58.93 2k70 s VAL 110 Cb -0.14 -2.67 0.06 0.00 -1.53 0.00 0.00 36.38 32.10 2k70 s VAL 110 CO 0.17 0.54 -0.03 -0.22 -3.33 0.00 0.00 175.10 172.23 2k70 s LEU 111 N -0.14 2.04 0.10 2.54 2.96 -0.81 -4.94 118.68 120.44 2k70 s LEU 111 Ca 0.03 -0.99 -0.28 0.00 -0.22 0.00 0.00 54.13 52.66 2k70 s LEU 111 Cb -0.13 -0.99 -0.06 0.00 0.50 0.00 0.00 46.19 45.52 2k70 s LEU 111 CO 0.02 -0.24 0.89 -0.75 -1.32 0.00 0.00 176.35 174.95 2k70 s LYS 112 N 1.55 4.63 0.11 1.98 2.20 -1.26 -1.16 119.74 127.79 2k70 s LYS 112 Ca -0.03 1.31 -0.06 0.00 -0.36 0.00 0.00 55.97 56.83 2k70 s LYS 112 Cb -0.18 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2k70 s LYS 112 CO -0.07 0.27 0.16 0.14 -0.36 0.00 0.00 175.35 175.49 2k70 s VAL 113 N -0.14 0.13 -0.04 4.02 -7.23 0.75 -4.99 120.40 112.90 2k70 s VAL 113 Ca 0.43 -1.46 0.02 0.00 -1.81 0.00 0.00 61.98 59.17 2k70 s VAL 113 Cb -0.23 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 35.12 2k70 s VAL 113 CO 0.28 -0.59 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.70 2k70 s VAL 114 N -3.93 0.80 0.03 1.32 1.01 -1.26 -0.85 120.40 117.52 2k70 s VAL 114 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 2k70 s VAL 114 Cb 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2k70 s VAL 114 CO -0.06 0.27 0.03 -1.48 0.00 0.00 0.00 175.10 173.86 2k70 s LEU 115 N 0.53 2.05 0.90 3.92 2.34 -0.80 -4.91 118.68 122.72 2k70 s LEU 115 Ca -0.09 -0.58 -0.12 0.00 0.06 0.00 0.00 54.13 53.41 2k70 s LEU 115 Cb -0.12 0.37 0.13 0.00 -0.56 0.00 0.00 46.19 46.00 2k70 s LEU 115 CO 0.01 -0.44 1.10 -2.16 -1.06 0.00 0.00 176.35 173.80 2k70 s PRO 116 N -2.35 1.21 -0.14 1.48 0.04 -1.26 -0.72 135.00 133.27 2k70 s PRO 116 Ca -0.07 0.59 -0.06 0.00 0.04 0.00 0.00 61.00 61.50 2k70 s PRO 116 Cb -0.03 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2k70 s PRO 116 CO -0.04 -2.22 0.06 0.08 0.04 0.00 0.00 177.00 174.93 2k70 s VAL 117 N -3.06 4.81 0.18 -0.36 1.01 0.52 -0.80 120.40 122.70 2k70 s VAL 117 Ca 0.63 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 2k70 s VAL 117 Cb -0.17 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2k70 s VAL 117 CO 0.56 0.54 0.37 -1.61 0.00 0.00 0.00 175.10 174.96 2k70 s GLU 118 N -0.33 1.25 0.38 2.72 0.41 -0.24 -2.37 118.70 120.53 2k70 s GLU 118 Ca 0.09 -1.09 -0.19 0.00 -0.41 0.00 0.00 54.97 53.37 2k70 s GLU 118 Cb -0.12 0.43 -0.10 0.00 -1.78 0.00 0.00 34.13 32.56 2k70 s GLU 118 CO 0.02 -0.49 0.87 0.00 -0.49 0.00 0.00 175.26 175.17 2k70 s ALA 119 N -3.94 3.16 0.00 5.21 0.00 -1.26 -0.98 121.76 123.94 2k70 s ALA 119 Ca 0.15 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2k70 s ALA 119 Cb 0.02 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2k70 s ALA 119 CO -0.00 0.21 0.00 2.89 0.00 0.00 0.00 175.76 178.86