#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v14 s GLU 2 N 0.00 3.72 0.46 2.12 0.41 -1.26 -4.97 118.70 119.18 1v14 s GLU 2 Ca 0.00 0.73 -0.17 0.00 -0.41 0.00 0.00 54.97 55.13 1v14 s GLU 2 Cb 0.00 -2.15 -0.14 0.00 -1.78 0.00 0.00 34.13 30.06 1v14 s GLU 2 CO 0.00 -0.40 -0.11 0.45 -0.49 0.00 0.00 175.26 174.72 1v14 n SER 3 N -2.22 -3.35 -0.07 -0.19 2.88 -1.26 -4.99 113.62 104.43 1v14 n SER 3 Ca 0.05 0.61 -0.09 0.00 -1.33 0.00 0.00 58.87 58.11 1v14 n SER 3 Cb 0.54 -0.78 -0.08 0.00 -0.75 0.00 0.00 64.21 63.14 1v14 n SER 3 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1v14 n LYS 4 N 1.38 1.03 -0.09 -1.46 4.81 -1.26 -4.51 118.16 118.06 1v14 n LYS 4 Ca 0.07 0.05 0.11 0.00 -0.87 0.00 0.00 58.31 57.68 1v14 n LYS 4 Cb 0.43 -1.32 0.33 0.00 0.02 0.00 0.00 35.03 34.50 1v14 n LYS 4 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1v14 n ARG 5 N -2.76 1.94 0.00 1.64 1.85 -1.26 -3.85 116.66 114.23 1v14 n ARG 5 Ca -0.25 -1.41 0.11 0.00 -1.00 0.00 0.00 57.85 55.30 1v14 n ARG 5 Cb 0.84 -1.44 -0.12 0.00 -1.05 0.00 0.00 32.46 30.69 1v14 n ARG 5 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1v14 n ASN 6 N 0.65 0.36 -4.74 2.89 3.02 -1.26 -2.87 115.26 113.31 1v14 n ASN 6 Ca 0.17 -0.23 -0.41 0.00 -0.03 0.00 0.00 54.58 54.07 1v14 n ASN 6 Cb 0.41 1.51 -0.03 0.00 -0.61 0.00 0.00 39.78 41.07 1v14 n ASN 6 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1v14 s LYS 7 N -3.35 4.41 0.49 3.52 1.02 -1.25 -4.52 119.74 120.05 1v14 s LYS 7 Ca -0.02 2.03 -0.22 0.00 0.02 0.00 0.00 55.97 57.77 1v14 s LYS 7 Cb 0.14 -3.20 -0.08 0.00 -0.52 0.00 0.00 37.83 34.17 1v14 s LYS 7 CO 0.88 -0.22 1.03 -2.30 -0.92 0.00 0.00 175.35 173.81 1v14 n PRO 8 N 2.53 1.28 -3.96 -1.68 -0.02 -0.98 -4.73 135.00 127.45 1v14 n PRO 8 Ca 0.06 0.47 -0.09 0.00 -2.02 0.00 0.00 63.50 61.91 1v14 n PRO 8 Cb 0.43 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 1v14 n PRO 8 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1v14 s GLY 9 N -0.88 0.49 0.08 -1.23 0.00 -0.25 -5.00 107.32 100.53 1v14 s GLY 9 Ca 0.67 -0.81 0.07 0.00 0.00 0.00 0.00 44.72 44.65 1v14 s GLY 9 CO 0.54 -0.52 -0.15 -1.59 0.00 0.00 0.00 173.10 171.37 1v14 s LYS 10 N -3.72 2.02 0.03 2.90 -2.85 -1.26 0.03 119.74 116.88 1v14 s LYS 10 Ca 0.20 -1.04 -0.30 0.00 -1.00 0.00 0.00 55.97 53.83 1v14 s LYS 10 Cb -0.02 -2.22 -0.05 0.00 -2.06 0.00 0.00 37.83 33.48 1v14 s LYS 10 CO 0.10 0.52 1.18 0.00 0.10 0.00 0.00 175.35 177.24 1v14 s ALA 11 N -1.08 3.39 0.12 0.59 0.00 -0.99 -4.75 121.76 119.03 1v14 s ALA 11 Ca 0.18 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.91 1v14 s ALA 11 Cb -0.11 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1v14 s ALA 11 CO 0.09 -0.49 0.07 0.25 0.00 0.00 0.00 175.76 175.69 1v14 n THR 12 N 4.09 0.00 0.00 0.00 -2.24 -0.18 -1.83 114.28 114.12 1v14 n THR 12 Ca 0.09 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1v14 n THR 12 Cb 0.47 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1v14 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v14 n GLY 13 N 3.57 -2.25 0.13 3.38 0.00 -1.26 -2.21 105.19 106.56 1v14 n GLY 13 Ca -0.01 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.32 1v14 n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1v14 n LYS 14 N -1.59 0.64 -1.38 1.61 4.01 -1.26 -4.73 118.16 115.45 1v14 n LYS 14 Ca 0.00 0.22 -0.00 0.00 -0.51 0.00 0.00 58.31 58.01 1v14 n LYS 14 Cb 0.00 -1.54 -0.00 0.00 -0.51 0.00 0.00 35.03 32.98 1v14 n LYS 14 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1v14 n GLY 15 N 1.87 -3.22 3.36 0.72 0.00 -1.26 -4.59 105.19 102.07 1v14 n GLY 15 Ca -0.47 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 1v14 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1v14 n LYS 16 N 0.23 -0.89 -3.60 1.61 5.02 -1.08 -3.18 118.16 116.27 1v14 n LYS 16 Ca -0.02 -0.23 -0.37 0.00 -2.02 0.00 0.00 58.31 55.67 1v14 n LYS 16 Cb 0.04 -1.80 -0.07 0.00 -0.02 0.00 0.00 35.03 33.18 1v14 n LYS 16 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1v14 s PRO 17 N -3.58 4.03 0.07 1.97 0.04 -1.26 -0.85 135.00 135.42 1v14 s PRO 17 Ca 0.57 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1v14 s PRO 17 Cb -0.17 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1v14 s PRO 17 CO 0.67 0.43 -0.05 0.14 0.04 0.00 0.00 177.00 178.23 1v14 s VAL 18 N -0.13 0.42 0.13 -0.36 -7.23 -1.26 -4.94 120.40 107.03 1v14 s VAL 18 Ca 0.17 -1.71 0.10 0.00 -1.81 0.00 0.00 61.98 58.73 1v14 s VAL 18 Cb -0.13 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 1v14 s VAL 18 CO 0.06 -0.85 -0.23 -0.83 -0.31 0.00 0.00 175.10 172.94 1v14 s GLY 19 N -2.70 1.42 0.00 2.32 0.00 -1.26 -4.91 107.32 102.18 1v14 s GLY 19 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1v14 s GLY 19 CO -0.06 -1.39 0.00 2.09 0.00 0.00 0.00 173.10 173.74 1v14 n ASP 20 N 0.87 0.00 -0.17 1.64 3.85 -1.26 -1.48 116.55 120.00 1v14 n ASP 20 Ca -0.18 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.90 1v14 n ASP 20 Cb 0.54 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.31 1v14 n ASP 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1v14 n LYS 21 N -2.45 0.00 0.11 0.11 0.00 -1.26 -4.16 118.16 110.51 1v14 n LYS 21 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.28 1v14 n LYS 21 Cb 0.00 -0.99 0.15 0.00 0.00 0.00 0.00 35.03 34.19 1v14 n LYS 21 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.40 177.51 1v14 h TRP 22 N 0.32 0.17 0.00 5.64 5.08 -1.66 -3.25 115.95 122.26 1v14 h TRP 22 Ca 0.00 -0.06 -0.03 0.00 1.08 0.00 0.00 58.89 59.88 1v14 h TRP 22 Cb 0.00 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 26.13 1v14 h TRP 22 CO 0.00 0.70 -0.12 -0.07 -1.28 0.00 0.00 178.44 177.66 1v14 h LEU 23 N 0.10 0.00 -1.47 0.11 3.38 -1.89 -2.89 115.31 112.65 1v14 h LEU 23 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1v14 h LEU 23 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1v14 h LEU 23 CO 0.09 0.12 -0.12 0.44 0.09 0.00 0.00 178.44 179.06 1v14 h ASP 24 N 0.00 0.19 0.25 -0.43 5.19 -1.91 -2.78 116.42 116.92 1v14 h ASP 24 Ca -0.00 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1v14 h ASP 24 Cb 0.77 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.23 1v14 h ASP 24 CO 0.02 0.33 -0.03 0.44 -3.12 0.00 0.00 179.24 176.88 1v14 h ASP 25 N 0.19 0.00 0.90 6.45 3.45 -1.69 -1.08 116.42 124.64 1v14 h ASP 25 Ca 0.04 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.38 1v14 h ASP 25 Cb 0.34 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 1v14 h ASP 25 CO 0.02 0.03 -0.56 0.00 -1.57 0.00 0.00 179.24 177.17 1v14 h ALA 26 N 1.97 0.85 -0.83 3.45 0.00 -1.66 -3.12 119.26 119.92 1v14 h ALA 26 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1v14 h ALA 26 Cb 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1v14 h ALA 26 CO 0.00 0.69 0.54 0.78 0.00 0.00 0.00 179.25 181.27 1v14 h GLY 27 N 2.35 1.18 -0.98 0.00 0.00 -1.32 -3.00 103.07 101.29 1v14 h GLY 27 Ca -0.01 -0.45 -0.63 0.00 0.00 0.00 0.00 47.33 46.24 1v14 h GLY 27 CO 0.07 0.44 -0.49 0.54 0.00 0.00 0.00 176.54 177.11 1v14 s LYS 28 N -6.09 2.17 2.15 4.80 3.01 -1.18 -4.64 119.74 119.97 1v14 s LYS 28 Ca -0.13 -2.18 0.00 0.00 -1.01 0.00 0.00 55.97 52.65 1v14 s LYS 28 Cb 0.16 -1.73 0.00 0.00 -1.01 0.00 0.00 37.83 35.25 1v14 s LYS 28 CO 0.79 -0.31 0.00 -0.25 0.51 0.00 0.00 175.35 176.09 1v14 n ASP 29 N -1.30 -0.41 0.00 2.83 8.00 -1.26 -2.74 116.55 121.66 1v14 n ASP 29 Ca -0.10 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.51 1v14 n ASP 29 Cb 0.66 0.00 0.64 0.00 -0.02 0.00 0.00 41.12 42.40 1v14 n ASP 29 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1v14 n SER 30 N -3.43 0.00 0.00 -2.24 7.64 -1.26 -4.93 113.62 109.41 1v14 n SER 30 Ca 0.00 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1v14 n SER 30 Cb 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1v14 n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v14 n GLY 31 N 0.66 1.49 3.69 0.23 0.00 -1.11 -4.79 105.19 105.37 1v14 n GLY 31 Ca 0.14 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1v14 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v14 s ALA 32 N -1.87 3.43 0.88 4.61 0.00 -0.08 -4.76 121.76 123.98 1v14 s ALA 32 Ca 0.00 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 1v14 s ALA 32 Cb 0.00 -3.47 0.12 0.00 0.00 0.00 0.00 23.12 19.76 1v14 s ALA 32 CO 0.00 -0.64 1.09 -1.25 0.00 0.00 0.00 175.76 174.96 1v14 s PRO 33 N 1.93 1.40 -0.19 0.00 0.04 -1.26 0.63 135.00 137.55 1v14 s PRO 33 Ca 0.54 0.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1v14 s PRO 33 Cb -0.23 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1v14 s PRO 33 CO 0.22 -2.14 1.24 0.42 0.04 0.00 0.00 177.00 176.78 1v14 s ILE 34 N -2.96 4.31 0.28 0.56 -1.09 -1.26 -4.75 121.20 116.30 1v14 s ILE 34 Ca 0.63 1.57 -0.29 0.00 -2.23 0.00 0.00 60.65 60.33 1v14 s ILE 34 Cb -0.17 -4.06 -0.13 0.00 -1.58 0.00 0.00 42.46 36.51 1v14 s ILE 34 CO 0.57 -0.19 1.21 -2.65 -1.23 0.00 0.00 174.94 172.65 1v14 n PRO 35 N 6.68 1.75 -0.18 2.79 -0.02 -1.25 -2.63 135.00 142.14 1v14 n PRO 35 Ca 0.14 0.62 -0.06 0.00 -2.02 0.00 0.00 63.50 62.18 1v14 n PRO 35 Cb 0.45 -2.14 0.04 0.00 -0.02 0.00 0.00 33.50 31.83 1v14 n PRO 35 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1v14 h ASP 36 N 2.86 0.55 -0.59 2.55 2.03 -0.95 -0.24 116.42 122.63 1v14 h ASP 36 Ca -0.43 -0.00 0.12 0.00 -0.73 0.00 0.00 57.03 55.98 1v14 h ASP 36 Cb 1.31 -0.12 -0.10 0.00 -0.83 0.00 0.00 39.33 39.58 1v14 h ASP 36 CO 0.66 0.39 0.00 0.03 -1.03 0.00 0.00 179.24 179.30 1v14 h ARG 37 N 0.67 0.12 0.51 4.15 2.47 -1.88 -2.06 114.38 118.36 1v14 h ARG 37 Ca 0.21 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.90 1v14 h ARG 37 Cb -0.02 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1v14 h ARG 37 CO -0.08 0.08 -0.28 0.82 0.56 0.00 0.00 179.97 181.07 1v14 h ILE 38 N 0.12 0.43 -0.69 2.04 1.08 -1.81 -3.22 117.51 115.46 1v14 h ILE 38 Ca 0.31 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.76 1v14 h ILE 38 Cb 0.49 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 1v14 h ILE 38 CO -0.50 0.00 0.34 0.00 -0.69 0.00 0.00 178.15 177.30 1v14 h ALA 39 N -0.27 1.30 -0.46 1.87 0.00 -0.59 -2.04 119.26 119.07 1v14 h ALA 39 Ca -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1v14 h ALA 39 Cb 0.58 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1v14 h ALA 39 CO 0.09 0.55 0.21 -0.44 0.00 0.00 0.00 179.25 179.66 1v14 h ASP 40 N 0.97 0.57 0.85 0.00 3.32 -1.46 -1.95 116.42 118.72 1v14 h ASP 40 Ca 0.24 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1v14 h ASP 40 Cb 0.09 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1v14 h ASP 40 CO -0.03 0.50 0.00 0.29 -1.72 0.00 0.00 179.24 178.27 1v14 n LYS 41 N -4.39 0.21 0.00 3.56 5.02 -0.77 -3.87 118.16 117.92 1v14 n LYS 41 Ca 0.03 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1v14 n LYS 41 Cb 0.13 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 1v14 n LYS 41 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1v14 n LEU 42 N -2.24 0.50 -4.77 -0.35 4.77 -0.78 -4.95 117.00 109.18 1v14 n LEU 42 Ca 0.03 -0.72 -0.39 0.00 -0.03 0.00 0.00 56.01 54.90 1v14 n LEU 42 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1v14 n LEU 42 CO 0.21 0.12 0.95 -0.60 -1.33 0.00 0.00 177.39 176.75 1v14 s ARG 43 N -0.44 3.84 0.00 3.23 3.52 -0.91 -2.33 118.95 125.85 1v14 s ARG 43 Ca 0.00 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 57.72 1v14 s ARG 43 Cb 0.00 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.74 1v14 s ARG 43 CO 0.00 -0.59 0.00 -0.25 -0.81 0.00 0.00 175.30 173.65 1v14 n ASP 44 N -0.10 0.00 -4.70 -2.12 8.00 -0.76 -4.94 116.55 111.93 1v14 n ASP 44 Ca 0.05 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.13 1v14 n ASP 44 Cb 0.44 -2.03 -0.03 0.00 -0.02 0.00 0.00 41.12 39.49 1v14 n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1v14 s LYS 45 N -0.64 4.35 0.25 -1.24 -0.14 -0.99 -4.79 119.74 116.53 1v14 s LYS 45 Ca 0.00 1.84 -0.14 0.00 -1.36 0.00 0.00 55.97 56.31 1v14 s LYS 45 Cb 0.00 -3.47 -0.08 0.00 -1.68 0.00 0.00 37.83 32.60 1v14 s LYS 45 CO 0.00 -0.43 0.65 -2.00 -0.76 0.00 0.00 175.35 172.81 1v14 s GLU 46 N 1.82 4.00 0.02 1.68 2.12 -1.26 -2.34 118.70 124.73 1v14 s GLU 46 Ca 0.60 0.58 0.01 0.00 0.36 0.00 0.00 54.97 56.52 1v14 s GLU 46 Cb -0.30 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.41 1v14 s GLU 46 CO 0.26 0.30 -0.04 -0.06 -0.54 0.00 0.00 175.26 175.19 1v14 s PHE 47 N -1.75 0.37 -0.04 5.30 0.40 0.10 -4.98 117.98 117.37 1v14 s PHE 47 Ca 0.47 -0.39 -0.23 0.00 -0.60 0.00 0.00 56.93 56.18 1v14 s PHE 47 Cb -0.13 -0.24 -0.27 0.00 0.51 0.00 0.00 43.02 42.90 1v14 s PHE 47 CO 0.19 -0.11 0.97 0.87 0.70 0.00 0.00 175.22 177.84 1v14 h LYS 48 N 4.98 0.27 -4.67 0.44 6.56 -1.92 -0.64 116.57 121.59 1v14 h LYS 48 Ca -0.31 -0.36 -0.27 0.00 -1.06 0.00 0.00 60.65 58.65 1v14 h LYS 48 Cb 1.21 0.12 -0.15 0.00 -0.57 0.00 0.00 32.23 32.84 1v14 h LYS 48 CO 0.43 1.10 -0.62 -1.54 -2.06 0.00 0.00 179.45 176.76 1v14 s SER 49 N -6.68 0.54 0.06 0.86 1.04 -1.26 -2.31 113.70 105.96 1v14 s SER 49 Ca -0.15 -1.35 -0.17 0.00 0.48 0.00 0.00 55.95 54.76 1v14 s SER 49 Cb 0.01 0.29 -0.14 0.00 0.10 0.00 0.00 66.02 66.28 1v14 s SER 49 CO 0.79 -0.78 1.31 0.15 0.98 0.00 0.00 173.24 175.69 1v14 h PHE 50 N 2.58 0.73 -0.83 5.02 3.57 -1.84 -2.92 116.94 123.26 1v14 h PHE 50 Ca -0.37 -0.28 0.15 0.00 3.53 0.00 0.00 57.97 61.01 1v14 h PHE 50 Cb 1.24 -0.13 -0.15 0.00 2.79 0.00 0.00 35.95 39.70 1v14 h PHE 50 CO 0.40 1.03 -0.25 -0.25 -2.23 0.00 0.00 178.31 177.01 1v14 n ASP 51 N -4.27 -0.39 -0.10 0.41 8.00 -1.26 -0.24 116.55 118.71 1v14 n ASP 51 Ca -0.06 1.43 -0.09 0.00 0.71 0.00 0.00 54.79 56.77 1v14 n ASP 51 Cb 0.54 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1v14 n ASP 51 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1v14 h ASP 52 N 0.00 0.39 -0.44 -2.24 3.32 -1.95 -1.22 116.42 114.28 1v14 h ASP 52 Ca 0.36 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.38 1v14 h ASP 52 Cb 0.56 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 1v14 h ASP 52 CO -0.84 0.35 0.18 0.15 -1.72 0.00 0.00 179.24 177.36 1v14 h PHE 53 N 0.40 0.32 -0.06 4.55 3.57 -0.59 -2.23 116.94 122.90 1v14 h PHE 53 Ca 0.11 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1v14 h PHE 53 Cb 0.04 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1v14 h PHE 53 CO -0.03 0.14 -0.09 -0.09 -2.23 0.00 0.00 178.31 176.01 1v14 h ARG 54 N 0.37 -0.12 -0.84 1.11 2.43 -0.14 -1.95 114.38 115.24 1v14 h ARG 54 Ca 0.20 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.58 1v14 h ARG 54 Cb 0.17 0.03 -0.12 0.00 -0.42 0.00 0.00 29.97 29.62 1v14 h ARG 54 CO -0.18 -0.08 0.29 -0.22 -1.51 0.00 0.00 179.97 178.27 1v14 h LYS 55 N -0.12 0.32 -0.27 0.20 3.64 -0.84 -2.14 116.57 117.35 1v14 h LYS 55 Ca 0.06 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1v14 h LYS 55 Cb 0.20 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1v14 h LYS 55 CO -0.14 0.21 0.10 0.00 -2.27 0.00 0.00 179.45 177.35 1v14 h ALA 56 N 1.69 0.36 0.00 5.00 0.00 -0.78 -2.74 119.26 122.78 1v14 h ALA 56 Ca 0.51 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.31 1v14 h ALA 56 Cb 0.94 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1v14 h ALA 56 CO -0.54 -0.03 -0.48 0.28 0.00 0.00 0.00 179.25 178.48 1v14 h VAL 57 N 0.28 0.07 -0.88 0.00 2.07 -0.81 0.16 116.25 117.15 1v14 h VAL 57 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1v14 h VAL 57 Cb 0.21 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1v14 h VAL 57 CO -0.00 0.00 0.58 -0.50 0.02 0.00 0.00 177.57 177.67 1v14 h TRP 58 N -0.63 1.11 0.04 1.57 4.06 -1.51 -0.14 115.95 120.45 1v14 h TRP 58 Ca 0.03 0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.02 1v14 h TRP 58 Cb 0.69 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 1v14 h TRP 58 CO -0.47 0.70 -0.09 0.93 -3.56 0.00 0.00 178.44 175.94 1v14 h GLU 59 N 1.19 -0.17 0.00 0.49 5.08 -1.19 -0.77 114.58 119.20 1v14 h GLU 59 Ca 0.32 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1v14 h GLU 59 Cb -0.13 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1v14 h GLU 59 CO -0.07 -0.11 0.00 0.39 -1.00 0.00 0.00 179.01 178.21 1v14 n GLU 60 N -5.21 0.02 -0.05 2.33 -0.58 0.02 -1.30 120.64 115.86 1v14 n GLU 60 Ca -0.06 0.42 -0.18 0.00 -0.42 0.00 0.00 57.16 56.92 1v14 n GLU 60 Cb 0.14 -1.54 -0.13 0.00 -0.57 0.00 0.00 31.44 29.34 1v14 n GLU 60 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1v14 h VAL 61 N 0.00 1.37 -0.47 2.62 2.07 0.28 -3.13 116.25 119.00 1v14 h VAL 61 Ca 0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1v14 h VAL 61 Cb 0.10 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 1v14 h VAL 61 CO 0.00 0.56 0.30 0.77 0.02 0.00 0.00 177.57 179.22 1v14 h SER 62 N -0.79 0.54 0.84 0.57 4.64 -0.59 -0.04 113.55 118.72 1v14 h SER 62 Ca -0.17 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1v14 h SER 62 Cb 1.31 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1v14 h SER 62 CO -0.03 0.40 0.00 0.11 -0.87 0.00 0.00 176.83 176.44 1v14 h LYS 63 N 0.64 0.00 -4.64 4.77 1.57 -1.32 -3.39 116.57 114.20 1v14 h LYS 63 Ca 0.17 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 58.24 1v14 h LYS 63 Cb -0.06 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.05 1v14 h LYS 63 CO -0.04 0.00 -0.33 0.34 -0.57 0.00 0.00 179.45 178.85 1v14 s ASP 64 N -4.72 6.15 0.10 0.86 2.15 -0.03 -4.98 116.67 116.20 1v14 s ASP 64 Ca 0.03 -0.83 -0.21 0.00 0.43 0.00 0.00 52.55 51.97 1v14 s ASP 64 Cb 0.09 -2.19 -0.11 0.00 -0.30 0.00 0.00 42.92 40.42 1v14 s ASP 64 CO 0.45 -0.51 1.74 -0.65 -0.17 0.00 0.00 175.17 176.02 1v14 h PRO 65 N 8.68 0.14 -0.70 4.34 0.11 -1.78 -2.27 132.00 140.52 1v14 h PRO 65 Ca -0.27 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.95 1v14 h PRO 65 Cb 1.12 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 1v14 h PRO 65 CO 0.76 0.12 0.47 0.93 -0.21 0.00 0.00 178.00 180.07 1v14 h GLU 66 N 0.12 0.47 -0.02 1.05 4.39 -1.93 -1.49 114.58 117.17 1v14 h GLU 66 Ca 0.04 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1v14 h GLU 66 Cb 0.01 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1v14 h GLU 66 CO -0.01 0.31 -0.10 -0.07 -1.16 0.00 0.00 179.01 177.98 1v14 h LEU 67 N 0.48 0.12 -1.47 1.33 3.38 -1.72 -3.31 115.31 114.12 1v14 h LEU 67 Ca 0.33 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1v14 h LEU 67 Cb 0.64 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1v14 h LEU 67 CO -0.11 0.78 0.00 -1.54 0.09 0.00 0.00 178.44 177.66 1v14 n SER 68 N -4.66 2.15 -0.03 -0.43 3.41 -0.89 -3.97 113.62 109.20 1v14 n SER 68 Ca -0.09 -2.05 0.15 0.00 -0.26 0.00 0.00 58.87 56.63 1v14 n SER 68 Cb 0.39 -0.28 0.83 0.00 -0.26 0.00 0.00 64.21 64.89 1v14 n SER 68 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1v14 n LYS 69 N 0.58 0.79 -0.00 4.33 5.02 -0.58 -3.29 118.16 125.00 1v14 n LYS 69 Ca 0.13 -0.06 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 1v14 n LYS 69 Cb 0.36 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 1v14 n LYS 69 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1v14 n ASN 70 N -1.05 0.84 -4.80 4.39 3.02 -1.25 -4.97 115.26 111.44 1v14 n ASN 70 Ca 0.19 -0.63 -0.39 0.00 -0.03 0.00 0.00 54.58 53.73 1v14 n ASN 70 Cb 0.18 1.26 -0.06 0.00 -0.61 0.00 0.00 39.78 40.55 1v14 n ASN 70 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1v14 s LEU 71 N -3.27 4.53 0.99 3.41 1.43 -1.21 -5.07 118.68 119.49 1v14 s LEU 71 Ca 0.02 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 54.45 1v14 s LEU 71 Cb 0.13 -3.15 0.18 0.00 0.03 0.00 0.00 46.19 43.38 1v14 s LEU 71 CO 0.73 0.22 1.09 0.54 0.23 0.00 0.00 176.35 179.16 1v14 s ASN 72 N -1.20 2.46 0.46 2.29 2.20 -1.26 -4.61 114.94 115.28 1v14 s ASN 72 Ca 0.34 1.81 0.24 0.00 -0.94 0.00 0.00 52.86 54.30 1v14 s ASN 72 Cb -0.21 -2.40 1.25 0.00 -2.00 0.00 0.00 41.25 37.89 1v14 s ASN 72 CO 0.22 -3.33 1.84 -0.65 -2.94 0.00 0.00 177.10 172.25 1v14 h PRO 73 N -2.02 0.24 -0.04 3.55 0.11 -1.97 0.68 132.00 132.55 1v14 h PRO 73 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1v14 h PRO 73 Cb 1.29 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1v14 h PRO 73 CO 0.48 0.16 0.02 1.03 -0.21 0.00 0.00 178.00 179.47 1v14 h SER 74 N 0.25 0.02 1.30 -2.05 0.87 -2.01 -2.92 113.55 109.01 1v14 h SER 74 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1v14 h SER 74 Cb 1.50 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 1v14 h SER 74 CO -0.14 0.02 -0.65 0.78 -0.53 0.00 0.00 176.83 176.31 1v14 h ASN 75 N 0.04 0.00 -0.36 6.23 -0.26 -1.57 -3.19 115.58 116.46 1v14 h ASN 75 Ca 0.01 -0.02 0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1v14 h ASN 75 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.22 1v14 h ASN 75 CO -0.01 0.01 0.10 0.11 -1.06 0.00 0.00 177.43 176.58 1v14 h LYS 76 N 0.00 0.23 -0.48 0.81 1.57 -0.88 -2.56 116.57 115.26 1v14 h LYS 76 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1v14 h LYS 76 Cb 0.98 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1v14 h LYS 76 CO 0.00 0.15 0.27 1.03 -0.57 0.00 0.00 179.45 180.34 1v14 h SER 77 N 0.24 0.59 0.01 0.86 0.87 -1.53 -2.47 113.55 112.12 1v14 h SER 77 Ca 0.17 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1v14 h SER 77 Cb 0.17 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1v14 h SER 77 CO -0.19 0.50 -0.17 0.28 -0.53 0.00 0.00 176.83 176.72 1v14 h SER 78 N 0.64 -0.53 0.48 6.23 0.02 -1.50 -2.10 113.55 116.78 1v14 h SER 78 Ca 0.17 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1v14 h SER 78 Cb 0.03 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1v14 h SER 78 CO -0.03 -0.17 0.00 -0.37 -1.14 0.00 0.00 176.83 175.12 1v14 h VAL 79 N -0.22 0.00 0.00 2.27 -1.51 -1.43 0.17 116.25 115.53 1v14 h VAL 79 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1v14 h VAL 79 Cb 0.24 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1v14 h VAL 79 CO -0.11 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.03 1v14 n SER 80 N -2.43 0.00 -0.27 4.19 7.64 -0.81 -2.43 113.62 119.51 1v14 n SER 80 Ca 0.00 -0.66 0.02 0.00 1.01 0.00 0.00 58.87 59.24 1v14 n SER 80 Cb 0.16 -0.05 0.02 0.00 -1.01 0.00 0.00 64.21 63.33 1v14 n SER 80 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1v14 n LYS 81 N -1.05 0.42 -1.76 1.43 5.02 0.55 -5.01 118.16 117.76 1v14 n LYS 81 Ca 0.18 -1.15 -0.09 0.00 -2.02 0.00 0.00 58.31 55.23 1v14 n LYS 81 Cb 0.11 -0.69 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 1v14 n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v14 n GLY 82 N -0.26 0.47 3.75 0.72 0.00 -1.02 -5.01 105.19 103.85 1v14 n GLY 82 Ca 0.02 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1v14 n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1v14 s TYR 83 N -2.39 3.36 0.30 1.61 2.02 -0.98 -4.34 117.35 116.94 1v14 s TYR 83 Ca 0.00 0.31 -0.29 0.00 -0.37 0.00 0.00 57.07 56.72 1v14 s TYR 83 Cb 0.00 -1.91 -0.10 0.00 -0.40 0.00 0.00 41.96 39.55 1v14 s TYR 83 CO 0.00 0.52 1.40 0.45 -1.57 0.00 0.00 175.55 176.35 1v14 s SER 84 N -0.70 6.64 0.70 2.29 0.15 -1.26 -3.21 113.70 118.30 1v14 s SER 84 Ca 0.12 2.75 -0.08 0.00 0.70 0.00 0.00 55.95 59.44 1v14 s SER 84 Cb -0.12 -2.64 0.05 0.00 -1.71 0.00 0.00 66.02 61.60 1v14 s SER 84 CO 0.03 -0.67 1.03 -2.16 1.20 0.00 0.00 173.24 172.66 1v14 s PRO 85 N -1.23 2.41 -0.13 5.44 0.04 -1.26 -4.76 135.00 135.51 1v14 s PRO 85 Ca 0.54 -0.05 -0.23 0.00 0.04 0.00 0.00 61.00 61.30 1v14 s PRO 85 Cb -0.42 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 1v14 s PRO 85 CO 0.51 -1.15 0.70 -0.06 0.04 0.00 0.00 177.00 177.04 1v14 s PHE 86 N -3.26 3.48 0.94 0.56 0.40 -1.26 -2.07 117.98 116.78 1v14 s PHE 86 Ca 0.59 1.15 -0.12 0.00 -0.60 0.00 0.00 56.93 57.94 1v14 s PHE 86 Cb -0.11 -2.84 0.16 0.00 0.51 0.00 0.00 43.02 40.73 1v14 s PHE 86 CO 0.46 -0.06 1.11 0.95 0.70 0.00 0.00 175.22 178.38 1v14 s THR 87 N 1.43 2.19 0.26 0.64 -4.23 -0.11 -4.94 115.64 110.89 1v14 s THR 87 Ca 0.35 0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.62 1v14 s THR 87 Cb -0.17 -2.66 -0.10 0.00 1.34 0.00 0.00 72.50 70.91 1v14 s THR 87 CO 0.14 -0.08 1.39 -2.84 -0.54 0.00 0.00 174.62 172.70 1v14 s PRO 88 N -5.09 4.30 0.29 3.99 0.02 -1.26 -4.84 135.00 132.41 1v14 s PRO 88 Ca 0.64 2.26 0.21 0.00 0.02 0.00 0.00 61.00 64.13 1v14 s PRO 88 Cb -0.17 -3.11 1.00 0.00 0.02 0.00 0.00 34.50 32.24 1v14 s PRO 88 CO 0.56 -0.35 1.05 1.17 -0.33 0.00 0.00 177.00 179.10 1v14 n LYS 89 N 1.97 -0.03 -0.02 5.54 3.00 -1.26 0.12 118.16 127.48 1v14 n LYS 89 Ca 0.05 0.85 0.12 0.00 -0.00 0.00 0.00 58.31 59.33 1v14 n LYS 89 Cb 0.41 -1.66 0.59 0.00 0.00 0.00 0.00 35.03 34.37 1v14 n LYS 89 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1v14 n ASN 90 N -4.05 0.88 -0.54 3.14 6.94 -1.26 -2.95 115.26 117.41 1v14 n ASN 90 Ca 0.27 -1.43 0.05 0.00 -0.02 0.00 0.00 54.58 53.45 1v14 n ASN 90 Cb 1.04 -0.03 0.12 0.00 -2.36 0.00 0.00 39.78 38.55 1v14 n ASN 90 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1v14 n GLN 91 N -0.26 2.26 -3.95 -3.83 1.13 0.32 -4.96 117.38 108.09 1v14 n GLN 91 Ca 0.18 -1.78 -0.29 0.00 -1.94 0.00 0.00 57.00 53.17 1v14 n GLN 91 Cb 0.23 -1.23 -0.04 0.00 0.11 0.00 0.00 30.24 29.30 1v14 n GLN 91 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1v14 s GLN 92 N -0.96 3.34 -0.21 -1.09 -0.21 -1.15 -1.33 119.66 118.04 1v14 s GLN 92 Ca 0.19 -0.53 -0.00 0.00 0.02 0.00 0.00 55.36 55.03 1v14 s GLN 92 Cb 0.10 -2.96 0.02 0.00 1.00 0.00 0.00 33.01 31.18 1v14 s GLN 92 CO 0.14 0.58 -0.13 0.08 -2.12 0.00 0.00 175.29 173.83 1v14 s VAL 93 N -1.57 2.46 0.00 1.09 1.01 -0.94 -4.69 120.40 117.76 1v14 s VAL 93 Ca 0.34 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1v14 s VAL 93 Cb -0.12 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1v14 s VAL 93 CO 0.27 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1v14 n GLY 94 N 4.63 2.84 1.08 4.51 0.00 -1.26 -0.75 105.19 116.24 1v14 n GLY 94 Ca -0.19 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1v14 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v14 n GLY 95 N 0.00 2.25 3.20 -0.02 0.00 -1.26 -4.66 105.19 104.69 1v14 n GLY 95 Ca 0.00 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1v14 n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v14 s ARG 96 N -1.04 3.10 0.00 1.61 0.52 0.07 -4.96 118.95 118.24 1v14 s ARG 96 Ca 0.13 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1v14 s ARG 96 Cb 0.10 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.80 1v14 s ARG 96 CO 0.03 -0.23 0.00 1.63 0.02 0.00 0.00 175.30 176.75 1v14 n LYS 97 N 4.68 2.92 -4.26 3.54 5.02 -1.26 -2.21 118.16 126.59 1v14 n LYS 97 Ca -0.19 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.83 1v14 n LYS 97 Cb 0.50 -0.33 -0.08 0.00 -0.02 0.00 0.00 35.03 35.10 1v14 n LYS 97 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1v14 s VAL 98 N -0.30 3.43 0.36 -0.18 -7.23 -1.26 -0.93 120.40 114.29 1v14 s VAL 98 Ca 0.00 -1.60 -0.28 0.00 -1.81 0.00 0.00 61.98 58.29 1v14 s VAL 98 Cb 0.00 -2.73 -0.12 0.00 0.56 0.00 0.00 36.38 34.10 1v14 s VAL 98 CO 0.00 -0.15 1.41 -1.22 -0.31 0.00 0.00 175.10 174.84 1v14 n TYR 99 N -0.15 2.70 -4.52 2.82 4.02 -0.88 -4.41 117.16 116.74 1v14 n TYR 99 Ca -0.10 0.48 -0.33 0.00 -0.01 0.00 0.00 57.90 57.95 1v14 n TYR 99 Cb 0.56 -2.49 -0.11 0.00 -0.02 0.00 0.00 39.34 37.28 1v14 n TYR 99 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1v14 s GLU 100 N -1.93 2.61 -0.72 -0.72 2.02 0.22 -4.83 118.70 115.35 1v14 s GLU 100 Ca 0.55 -0.67 -0.20 0.00 0.02 0.00 0.00 54.97 54.67 1v14 s GLU 100 Cb -0.52 -2.53 0.11 0.00 0.10 0.00 0.00 34.13 31.29 1v14 s GLU 100 CO 0.62 0.62 0.92 -0.51 0.02 0.00 0.00 175.26 176.94 1v14 s LEU 101 N -1.20 5.02 -0.13 1.80 1.43 -1.26 0.11 118.68 124.44 1v14 s LEU 101 Ca 0.15 -1.52 -0.15 0.00 -1.03 0.00 0.00 54.13 51.59 1v14 s LEU 101 Cb -0.11 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1v14 s LEU 101 CO 0.05 -1.19 0.35 -2.28 0.23 0.00 0.00 176.35 173.52 1v14 s HIS 102 N 3.03 3.51 -0.46 0.29 5.65 0.36 -4.87 115.29 122.80 1v14 s HIS 102 Ca 0.21 0.72 -0.28 0.00 0.25 0.00 0.00 55.06 55.96 1v14 s HIS 102 Cb -0.15 -2.39 0.01 0.00 -1.18 0.00 0.00 32.58 28.87 1v14 s HIS 102 CO 0.02 0.27 1.40 0.00 -0.65 0.00 0.00 174.74 175.79 1v14 s ALA 103 N 0.31 2.97 0.00 1.58 0.00 -1.26 0.83 121.76 126.18 1v14 s ALA 103 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1v14 s ALA 103 Cb -0.14 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1v14 s ALA 103 CO 0.07 -2.57 0.93 -3.47 0.00 0.00 0.00 175.76 170.72 1v14 n ASP 104 N 9.04 0.00 -4.72 0.00 2.03 0.18 -4.30 116.55 118.78 1v14 n ASP 104 Ca 0.15 0.93 -0.40 0.00 0.52 0.00 0.00 54.79 56.00 1v14 n ASP 104 Cb 0.48 -0.43 -0.05 0.00 -0.72 0.00 0.00 41.12 40.40 1v14 n ASP 104 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1v14 s LYS 105 N -2.73 4.44 0.78 -0.67 2.20 -1.26 -5.05 119.74 117.45 1v14 s LYS 105 Ca 0.00 0.88 -0.14 0.00 -0.36 0.00 0.00 55.97 56.35 1v14 s LYS 105 Cb 0.00 -3.44 0.07 0.00 -1.51 0.00 0.00 37.83 32.95 1v14 s LYS 105 CO 0.00 0.08 1.20 -2.14 -0.36 0.00 0.00 175.35 174.13 1v14 s PRO 106 N 0.73 1.83 0.19 4.03 0.02 -1.26 -4.32 135.00 136.21 1v14 s PRO 106 Ca 0.37 1.72 -0.01 0.00 0.02 0.00 0.00 61.00 63.11 1v14 s PRO 106 Cb -0.18 -1.80 0.09 0.00 0.02 0.00 0.00 34.50 32.63 1v14 s PRO 106 CO 0.18 -2.06 1.46 0.82 -0.33 0.00 0.00 177.00 177.06 1v14 h ILE 107 N -0.72 1.38 0.00 2.83 2.04 -1.93 -1.42 117.51 119.69 1v14 h ILE 107 Ca -0.46 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 63.30 1v14 h ILE 107 Cb 1.29 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1v14 h ILE 107 CO 0.47 0.63 0.00 -1.54 0.00 0.00 0.00 178.15 177.72 1v14 n SER 108 N -3.85 0.44 -0.46 1.72 3.41 -1.26 -3.04 113.62 110.58 1v14 n SER 108 Ca -0.04 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 1v14 n SER 108 Cb 0.69 -0.69 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1v14 n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1v14 n GLN 109 N -1.96 1.59 0.00 4.33 1.13 -1.14 -4.96 117.38 116.36 1v14 n GLN 109 Ca 0.04 -1.01 0.00 0.00 -1.94 0.00 0.00 57.00 54.09 1v14 n GLN 109 Cb 0.26 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.30 1v14 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1v14 n GLY 110 N 1.13 1.48 3.73 1.08 0.00 -1.17 -5.01 105.19 106.44 1v14 n GLY 110 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1v14 n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1v14 s GLY 111 N -2.00 2.71 0.20 -0.02 0.00 -0.55 -5.02 107.32 102.64 1v14 s GLY 111 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 44.72 44.79 1v14 s GLY 111 CO 0.00 1.18 0.61 -0.54 0.00 0.00 0.00 173.10 174.35 1v14 s GLU 112 N 0.46 4.03 0.19 2.90 2.02 -1.26 -4.17 118.70 122.86 1v14 s GLU 112 Ca 0.39 0.58 -0.09 0.00 0.02 0.00 0.00 54.97 55.87 1v14 s GLU 112 Cb -0.19 -2.83 0.08 0.00 0.10 0.00 0.00 34.13 31.29 1v14 s GLU 112 CO 0.21 0.40 1.64 0.28 0.02 0.00 0.00 175.26 177.81 1v14 h VAL 113 N 2.59 1.27 -0.73 2.63 2.07 -1.96 -3.04 116.25 119.07 1v14 h VAL 113 Ca -0.48 -1.19 -0.50 0.00 0.82 0.00 0.00 66.70 65.35 1v14 h VAL 113 Cb 1.19 0.85 -0.31 0.00 -1.52 0.00 0.00 31.29 31.49 1v14 h VAL 113 CO 0.66 0.43 -0.13 -1.22 0.02 0.00 0.00 177.57 177.32 1v14 n TYR 114 N -4.17 2.50 -3.44 1.57 4.02 -1.26 -4.94 117.16 111.43 1v14 n TYR 114 Ca 0.03 -2.31 -0.43 0.00 -0.01 0.00 0.00 57.90 55.18 1v14 n TYR 114 Cb 0.36 -0.71 -0.10 0.00 -0.02 0.00 0.00 39.34 38.88 1v14 n TYR 114 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1v14 s ASP 115 N -2.80 6.12 0.00 7.72 2.15 -1.15 -1.02 116.67 127.69 1v14 s ASP 115 Ca 0.54 -0.83 0.26 0.00 0.43 0.00 0.00 52.55 52.94 1v14 s ASP 115 Cb 0.44 -2.17 1.36 0.00 -0.30 0.00 0.00 42.92 42.25 1v14 s ASP 115 CO 0.02 -0.46 1.87 0.23 -0.17 0.00 0.00 175.17 176.66 1v14 n MET 116 N 5.23 0.49 -0.01 4.34 2.81 -0.94 -1.89 117.12 127.15 1v14 n MET 116 Ca -0.10 0.03 -0.04 0.00 -1.81 0.00 0.00 57.70 55.78 1v14 n MET 116 Cb 0.47 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.36 1v14 n MET 116 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1v14 n ASP 117 N -1.20 0.63 -1.00 7.83 8.00 -1.26 -4.14 116.55 125.41 1v14 n ASP 117 Ca 0.14 0.29 0.05 0.00 0.71 0.00 0.00 54.79 55.98 1v14 n ASP 117 Cb 0.17 0.38 0.20 0.00 -0.02 0.00 0.00 41.12 41.85 1v14 n ASP 117 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1v14 n ASN 118 N -2.87 2.87 -4.06 -2.24 5.15 -0.79 -4.86 115.26 108.46 1v14 n ASN 118 Ca -0.16 -2.25 -0.30 0.00 -0.60 0.00 0.00 54.58 51.28 1v14 n ASN 118 Cb 0.95 -0.43 -0.17 0.00 -0.53 0.00 0.00 39.78 39.61 1v14 n ASN 118 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1v14 s ILE 119 N -1.70 1.63 -0.03 -1.44 1.01 -1.20 0.49 121.20 119.95 1v14 s ILE 119 Ca 0.29 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.30 1v14 s ILE 119 Cb 0.18 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1v14 s ILE 119 CO 0.14 0.47 -0.21 -0.13 0.00 0.00 0.00 174.94 175.20 1v14 s ARG 120 N 1.13 2.26 -0.04 2.79 1.81 0.24 -4.07 118.95 123.08 1v14 s ARG 120 Ca -0.02 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 52.85 1v14 s ARG 120 Cb -0.14 -2.18 -0.04 0.00 -0.45 0.00 0.00 34.95 32.15 1v14 s ARG 120 CO -0.05 0.59 1.21 0.08 -0.68 0.00 0.00 175.30 176.44 1v14 s VAL 121 N -0.66 4.22 0.17 3.52 1.01 0.21 0.13 120.40 128.99 1v14 s VAL 121 Ca 0.11 1.55 0.08 0.00 0.00 0.00 0.00 61.98 63.72 1v14 s VAL 121 Cb -0.10 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1v14 s VAL 121 CO -0.00 0.01 -0.16 0.42 0.00 0.00 0.00 175.10 175.37 1v14 s THR 122 N 2.08 1.72 0.40 3.92 -4.23 0.29 -0.90 115.64 118.92 1v14 s THR 122 Ca 0.56 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.99 1v14 s THR 122 Cb -0.25 -1.86 -0.06 0.00 1.34 0.00 0.00 72.50 71.66 1v14 s THR 122 CO 0.23 -0.42 0.76 0.42 -0.54 0.00 0.00 174.62 175.08 1v14 s THR 123 N -2.35 4.79 0.17 3.99 -4.23 -1.13 0.71 115.64 117.59 1v14 s THR 123 Ca 0.17 0.62 -0.21 0.00 -1.18 0.00 0.00 61.69 61.09 1v14 s THR 123 Cb -0.04 -3.73 0.09 0.00 1.34 0.00 0.00 72.50 70.16 1v14 s THR 123 CO 0.06 -0.50 1.62 -0.65 -0.54 0.00 0.00 174.62 174.60 1v14 h PRO 124 N 1.31 -0.18 -0.69 3.99 0.11 -1.75 0.27 132.00 135.06 1v14 h PRO 124 Ca -0.47 0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.80 1v14 h PRO 124 Cb 1.19 0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 1v14 h PRO 124 CO 0.64 -0.12 0.06 -0.22 -0.21 0.00 0.00 178.00 178.15 1v14 h LYS 125 N -0.19 0.15 -0.03 1.05 3.64 -1.49 0.21 116.57 119.93 1v14 h LYS 125 Ca 0.19 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1v14 h LYS 125 Cb 0.49 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1v14 h LYS 125 CO -0.51 0.10 -0.04 -0.09 -2.27 0.00 0.00 179.45 176.64 1v14 h ARG 126 N 0.16 0.07 -0.87 1.90 9.65 -1.43 -1.35 114.38 122.50 1v14 h ARG 126 Ca 0.38 -0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.33 1v14 h ARG 126 Cb 0.64 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.14 1v14 h ARG 126 CO -0.56 0.60 0.49 1.25 2.80 0.00 0.00 179.97 184.55 1v14 h HIS 127 N -0.45 0.88 -0.28 2.20 2.76 0.04 0.34 115.15 120.64 1v14 h HIS 127 Ca 0.00 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1v14 h HIS 127 Cb 0.59 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1v14 h HIS 127 CO 0.11 0.30 0.16 0.82 -1.30 0.00 0.00 177.93 178.02 1v14 h ILE 128 N 0.76 1.12 -0.10 6.26 1.08 -0.54 -3.13 117.51 122.97 1v14 h ILE 128 Ca 0.45 -0.30 -0.20 0.00 -0.39 0.00 0.00 64.86 64.41 1v14 h ILE 128 Cb 0.52 0.81 0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1v14 h ILE 128 CO -0.30 0.12 -0.74 0.44 -0.69 0.00 0.00 178.15 176.98 1v14 h ASP 129 N 0.35 0.81 -1.06 1.72 3.45 -0.10 -1.04 116.42 120.54 1v14 h ASP 129 Ca 0.10 -0.67 0.30 0.00 0.43 0.00 0.00 57.03 57.19 1v14 h ASP 129 Cb 0.05 -0.24 -0.05 0.00 -0.56 0.00 0.00 39.33 38.52 1v14 h ASP 129 CO -0.02 1.36 0.75 0.40 -1.57 0.00 0.00 179.24 180.16 1v14 h ILE 130 N 0.33 0.48 0.04 0.35 2.04 -0.46 -2.40 117.51 117.90 1v14 h ILE 130 Ca -0.07 -0.02 -0.26 0.00 1.00 0.00 0.00 64.86 65.51 1v14 h ILE 130 Cb 1.38 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1v14 h ILE 130 CO 0.15 0.01 -1.42 -0.74 0.00 0.00 0.00 178.15 176.15 1v14 h HIS 131 N 0.07 0.17 0.00 1.37 2.76 -1.47 -3.51 115.15 114.54 1v14 h HIS 131 Ca 0.52 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1v14 h HIS 131 Cb 1.94 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.90 1v14 h HIS 131 CO -0.00 1.56 0.00 0.54 -1.30 0.00 0.00 177.93 178.73