#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v95 s SER 2 N 0.00 -0.59 0.04 1.61 1.04 -1.26 -5.16 113.70 109.38 1v95 s SER 2 Ca 0.00 -0.25 0.09 0.00 0.48 0.00 0.00 55.95 56.27 1v95 s SER 2 Cb 0.00 0.83 -0.03 0.00 0.10 0.00 0.00 66.02 66.92 1v95 s SER 2 CO 0.00 -0.07 -0.26 -0.44 0.98 0.00 0.00 173.24 173.45 1v95 s SER 3 N 2.06 3.10 -0.57 7.02 0.01 -1.26 -5.10 113.70 118.96 1v95 s SER 3 Ca 0.16 -0.58 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 1v95 s SER 3 Cb 0.01 -0.28 0.14 0.00 0.21 0.00 0.00 66.02 66.10 1v95 s SER 3 CO -0.14 0.25 0.50 -0.83 0.41 0.00 0.00 173.24 173.43 1v95 s GLY 4 N -1.22 2.18 -0.42 3.44 0.00 -1.26 -4.88 107.32 105.17 1v95 s GLY 4 Ca 0.11 -2.69 -0.00 0.00 0.00 0.00 0.00 44.72 42.14 1v95 s GLY 4 CO 0.02 1.18 0.96 -1.26 0.00 0.00 0.00 173.10 174.00 1v95 n SER 5 N 4.88 -2.31 -2.26 1.64 2.88 -1.26 -5.09 113.62 112.11 1v95 n SER 5 Ca -0.07 -1.95 -0.01 0.00 -1.33 0.00 0.00 58.87 55.52 1v95 n SER 5 Cb 0.41 1.20 -0.01 0.00 -0.75 0.00 0.00 64.21 65.07 1v95 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v95 n SER 6 N 2.55 -7.75 -4.63 -3.46 2.88 -1.26 -4.63 113.62 97.32 1v95 n SER 6 Ca 0.13 1.63 -0.29 0.00 -1.33 0.00 0.00 58.87 59.00 1v95 n SER 6 Cb 0.62 -4.83 0.19 0.00 -0.75 0.00 0.00 64.21 59.43 1v95 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v95 s GLY 7 N -0.55 1.61 0.00 0.46 0.00 -1.26 -4.61 107.32 102.97 1v95 s GLY 7 Ca -0.04 0.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.44 1v95 s GLY 7 CO 0.10 0.61 1.19 2.56 0.00 0.00 0.00 173.10 177.56 1v95 s PRO 8 N -4.70 4.40 -0.14 2.90 0.04 -1.23 -4.74 135.00 131.53 1v95 s PRO 8 Ca 0.66 1.71 0.01 0.00 0.04 0.00 0.00 61.00 63.42 1v95 s PRO 8 Cb -0.22 -3.46 0.02 0.00 0.04 0.00 0.00 34.50 30.89 1v95 s PRO 8 CO 0.60 -0.34 -0.16 0.08 0.04 0.00 0.00 177.00 177.22 1v95 s VAL 9 N 1.63 1.64 0.30 -0.36 1.01 -1.26 -4.87 120.40 118.50 1v95 s VAL 9 Ca 0.57 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1v95 s VAL 9 Cb -0.27 -1.52 0.42 0.00 0.00 0.00 0.00 36.38 35.01 1v95 s VAL 9 CO 0.26 0.47 1.55 0.47 0.00 0.00 0.00 175.10 177.85 1v95 n ASP 10 N 4.59 -0.14 -3.53 3.32 8.00 -0.37 -3.75 116.55 124.66 1v95 n ASP 10 Ca -0.18 1.68 -0.12 0.00 0.71 0.00 0.00 54.79 56.88 1v95 n ASP 10 Cb 0.50 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.89 1v95 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1v95 s SER 12 N 2.47 6.38 -0.24 0.00 0.01 -0.54 -3.18 113.70 118.60 1v95 s SER 12 Ca 0.05 0.45 -0.19 0.00 1.31 0.00 0.00 55.95 57.56 1v95 s SER 12 Cb -0.14 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 1v95 s SER 12 CO -0.12 0.18 0.59 -0.69 0.41 0.00 0.00 173.24 173.60 1v95 s VAL 13 N 0.14 5.03 -0.42 3.43 1.01 -0.01 0.21 120.40 129.78 1v95 s VAL 13 Ca 0.14 1.05 -0.13 0.00 0.00 0.00 0.00 61.98 63.04 1v95 s VAL 13 Cb -0.12 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.41 1v95 s VAL 13 CO 0.03 0.07 0.30 -0.63 0.00 0.00 0.00 175.10 174.86 1v95 s ILE 14 N 2.29 4.87 -0.42 2.22 -1.09 0.49 -0.66 121.20 128.90 1v95 s ILE 14 Ca 0.25 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 1v95 s ILE 14 Cb -0.16 -3.83 0.11 0.00 -1.58 0.00 0.00 42.46 37.01 1v95 s ILE 14 CO 0.09 -0.41 0.18 0.54 -1.23 0.00 0.00 174.94 174.11 1v95 s VAL 15 N 1.59 2.90 0.03 2.92 0.11 -0.82 0.06 120.40 127.18 1v95 s VAL 15 Ca 0.03 -2.40 -0.20 0.00 -2.93 0.00 0.00 61.98 56.49 1v95 s VAL 15 Cb -0.21 -3.02 -0.17 0.00 -1.53 0.00 0.00 36.38 31.44 1v95 s VAL 15 CO 0.07 -0.69 1.25 -0.37 -3.33 0.00 0.00 175.10 172.02 1v95 h VAL 16 N 6.24 1.39 -3.82 2.04 -1.51 -1.81 -2.93 116.25 115.84 1v95 h VAL 16 Ca -0.08 -1.64 -0.53 0.00 -1.23 0.00 0.00 66.70 63.23 1v95 h VAL 16 Cb 1.01 2.15 0.21 0.00 -2.13 0.00 0.00 31.29 32.52 1v95 h VAL 16 CO 0.64 0.48 -0.20 -3.20 -1.23 0.00 0.00 177.57 174.06 1v95 n ASN 17 N -4.40 -0.93 -2.12 4.19 2.85 -1.26 -4.40 115.26 109.18 1v95 n ASN 17 Ca -0.07 0.37 -0.27 0.00 -0.11 0.00 0.00 54.58 54.50 1v95 n ASN 17 Cb 0.49 -1.34 0.04 0.00 1.24 0.00 0.00 39.78 40.21 1v95 n ASN 17 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1v95 n LYS 18 N -2.91 3.34 0.00 1.20 4.01 -1.26 -4.56 118.16 117.98 1v95 n LYS 18 Ca 0.09 -3.91 0.00 0.00 -0.51 0.00 0.00 58.31 53.98 1v95 n LYS 18 Cb 0.53 -2.28 0.00 0.00 -0.51 0.00 0.00 35.03 32.77 1v95 n LYS 18 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1v95 n GLN 19 N -0.77 0.00 -0.67 1.97 0.00 -1.26 -4.90 117.38 111.75 1v95 n GLN 19 Ca 0.50 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 57.30 1v95 n GLN 19 Cb 0.87 -0.22 -0.02 0.00 0.00 0.00 0.00 30.24 30.88 1v95 n GLN 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1v95 n THR 20 N -2.14 2.20 -0.07 1.69 -2.24 -1.26 -4.27 114.28 108.18 1v95 n THR 20 Ca 0.00 -1.30 -0.07 0.00 -2.27 0.00 0.00 64.05 60.40 1v95 n THR 20 Cb 0.02 -2.06 -0.04 0.00 -2.10 0.00 0.00 70.33 66.15 1v95 n THR 20 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1v95 h LYS 21 N 6.39 0.00 0.53 -0.78 3.64 -1.90 -3.03 116.57 121.41 1v95 h LYS 21 Ca 0.44 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.79 1v95 h LYS 21 Cb 0.17 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1v95 h LYS 21 CO 1.37 0.25 -0.25 -0.44 -2.27 0.00 0.00 179.45 178.11 1v95 h ASP 22 N -1.00 -0.60 -0.22 4.20 3.32 -1.97 0.23 116.42 120.39 1v95 h ASP 22 Ca -0.06 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.02 1v95 h ASP 22 Cb 0.55 0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.19 1v95 h ASP 22 CO -0.04 -0.36 -0.38 0.22 -1.72 0.00 0.00 179.24 176.96 1v95 h TYR 23 N -0.80 -1.08 -0.83 4.55 5.03 -1.87 0.27 116.97 122.23 1v95 h TYR 23 Ca -0.07 0.05 0.07 0.00 2.58 0.00 0.00 58.73 61.36 1v95 h TYR 23 Cb 0.58 0.51 -0.06 0.00 1.55 0.00 0.00 36.73 39.31 1v95 h TYR 23 CO -0.02 -0.44 0.50 0.00 -1.32 0.00 0.00 178.16 176.89 1v95 h ALA 24 N 0.35 1.15 0.00 1.82 0.00 -1.48 0.47 119.26 121.57 1v95 h ALA 24 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1v95 h ALA 24 Cb 0.59 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1v95 h ALA 24 CO -0.44 0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.42 1v95 n GLU 25 N -4.66 0.06 -0.01 0.00 1.02 0.82 -1.93 120.64 115.94 1v95 n GLU 25 Ca 0.12 0.50 -0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1v95 n GLU 25 Cb 0.20 -1.68 -0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1v95 n GLU 25 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1v95 h SER 26 N 0.00 0.00 -1.55 1.62 0.87 0.16 -2.95 113.55 111.71 1v95 h SER 26 Ca 0.00 0.00 0.46 0.00 -1.23 0.00 0.00 61.79 61.02 1v95 h SER 26 Cb 0.08 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.96 1v95 h SER 26 CO 0.00 0.08 1.09 1.62 -0.53 0.00 0.00 176.83 179.09 1v95 h VAL 27 N -0.11 0.19 -0.13 2.23 3.04 -1.35 1.61 116.25 121.73 1v95 h VAL 27 Ca 0.00 -0.01 -0.17 0.00 -1.01 0.00 0.00 66.70 65.51 1v95 h VAL 27 Cb 0.04 0.16 0.01 0.00 -2.01 0.00 0.00 31.29 29.48 1v95 h VAL 27 CO 0.00 0.01 -0.58 1.23 -1.01 0.00 0.00 177.57 177.22 1v95 h GLY 28 N 0.03 0.68 2.00 3.17 0.00 -1.54 -2.80 103.07 104.61 1v95 h GLY 28 Ca 0.77 -0.94 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1v95 h GLY 28 CO -0.09 0.84 -0.28 0.07 0.00 0.00 0.00 176.54 177.08 1v95 h ARG 29 N 0.26 0.00 -0.43 4.80 0.11 0.22 -2.91 114.38 116.43 1v95 h ARG 29 Ca -0.04 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.91 1v95 h ARG 29 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 1v95 h ARG 29 CO 0.12 0.28 -0.25 0.87 0.10 0.00 0.00 179.97 181.09 1v95 h LYS 30 N 0.00 0.93 0.00 0.08 1.79 -0.00 -1.95 116.57 117.41 1v95 h LYS 30 Ca -0.00 -0.43 -0.04 0.00 -2.18 0.00 0.00 60.65 58.00 1v95 h LYS 30 Cb 0.84 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1v95 h LYS 30 CO 0.04 1.09 -0.20 0.28 -1.08 0.00 0.00 179.45 179.57 1v95 h VAL 31 N 0.76 0.85 -0.03 0.50 2.07 -1.31 -1.88 116.25 117.21 1v95 h VAL 31 Ca 0.09 -0.79 -0.18 0.00 0.82 0.00 0.00 66.70 66.64 1v95 h VAL 31 Cb 0.83 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1v95 h VAL 31 CO 0.07 0.20 -0.78 0.03 0.02 0.00 0.00 177.57 177.11 1v95 h ARG 32 N 0.00 0.23 0.00 1.57 3.08 -1.30 -2.66 114.38 115.29 1v95 h ARG 32 Ca -0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1v95 h ARG 32 Cb 0.45 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1v95 h ARG 32 CO 0.03 0.89 0.00 0.22 -1.07 0.00 0.00 179.97 180.04 1v95 h ASP 33 N 0.14 0.00 0.50 7.04 3.58 -0.59 0.79 116.42 127.89 1v95 h ASP 33 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1v95 h ASP 33 Cb 1.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.41 1v95 h ASP 33 CO 0.12 0.00 -0.60 0.18 -2.88 0.00 0.00 179.24 176.06 1v95 n LEU 34 N -2.75 0.57 0.00 2.28 4.77 -1.06 -4.93 117.00 115.88 1v95 n LEU 34 Ca -0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1v95 n LEU 34 Cb 0.06 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1v95 n LEU 34 CO 0.16 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1v95 n GLY 35 N 1.47 1.57 3.38 -0.72 0.00 0.27 -5.09 105.19 106.07 1v95 n GLY 35 Ca 0.05 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1v95 n GLY 35 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1v95 s MET 36 N -1.68 2.98 -0.01 1.61 1.00 -1.03 -5.01 119.30 117.16 1v95 s MET 36 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 55.69 54.66 1v95 s MET 36 Cb 0.00 -2.47 -0.07 0.00 0.00 0.00 0.00 34.83 32.30 1v95 s MET 36 CO 0.00 0.35 1.68 0.08 0.00 0.00 0.00 175.02 177.13 1v95 s VAL 37 N -0.04 3.40 0.07 -6.03 1.01 -1.26 -3.44 120.40 114.10 1v95 s VAL 37 Ca -0.04 0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.58 1v95 s VAL 37 Cb -0.14 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1v95 s VAL 37 CO 0.04 -0.04 -0.13 -0.69 0.00 0.00 0.00 175.10 174.28 1v95 s VAL 38 N 3.70 1.02 0.18 2.92 1.01 -1.26 -1.24 120.40 126.74 1v95 s VAL 38 Ca 0.75 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1v95 s VAL 38 Cb -0.36 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1v95 s VAL 38 CO 0.31 -0.26 0.17 -0.62 0.00 0.00 0.00 175.10 174.71 1v95 s ASP 39 N -1.74 0.15 -0.13 3.32 2.15 -1.19 -4.99 116.67 114.23 1v95 s ASP 39 Ca -0.03 -1.23 0.02 0.00 0.43 0.00 0.00 52.55 51.74 1v95 s ASP 39 Cb -0.10 0.39 0.00 0.00 -0.30 0.00 0.00 42.92 42.91 1v95 s ASP 39 CO 0.02 -0.86 -0.19 -0.76 -0.17 0.00 0.00 175.17 173.21 1v95 s LEU 40 N -3.09 2.32 -0.34 -1.34 1.02 -1.26 -0.83 118.68 115.16 1v95 s LEU 40 Ca 0.31 -0.51 -0.03 0.00 0.02 0.00 0.00 54.13 53.92 1v95 s LEU 40 Cb 0.06 -1.50 0.06 0.00 0.02 0.00 0.00 46.19 44.83 1v95 s LEU 40 CO 0.08 0.11 0.07 -0.63 0.02 0.00 0.00 176.35 176.00 1v95 s ILE 41 N 0.65 3.24 -0.25 -0.59 1.01 0.16 -4.96 121.20 120.45 1v95 s ILE 41 Ca -0.10 -1.50 -0.16 0.00 0.00 0.00 0.00 60.65 58.90 1v95 s ILE 41 Cb -0.16 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1v95 s ILE 41 CO 0.02 -0.27 0.41 -0.36 0.00 0.00 0.00 174.94 174.74 1v95 s PHE 42 N 1.26 3.28 -0.99 3.97 0.08 -1.26 -1.95 117.98 122.37 1v95 s PHE 42 Ca -0.01 0.51 -0.01 0.00 0.12 0.00 0.00 56.93 57.54 1v95 s PHE 42 Cb -0.20 -2.59 0.32 0.00 -0.57 0.00 0.00 43.02 39.97 1v95 s PHE 42 CO -0.01 -0.19 1.63 1.28 -0.10 0.00 0.00 175.22 177.82 1v95 n LEU 43 N 5.19 6.75 0.33 -0.37 4.77 -1.11 -4.81 117.00 127.75 1v95 n LEU 43 Ca -0.07 -5.38 -0.13 0.00 -0.03 0.00 0.00 56.01 50.40 1v95 n LEU 43 Cb 0.51 -1.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.41 1v95 n LEU 43 CO 0.38 1.99 0.52 -1.13 -1.33 0.00 0.00 177.39 177.83 1v95 h ASN 44 N 4.39 -0.72 -1.75 -1.43 -1.24 -1.87 -3.41 115.58 109.55 1v95 h ASN 44 Ca 0.41 0.03 -0.42 0.00 0.71 0.00 0.00 56.30 57.03 1v95 h ASN 44 Cb 0.42 0.19 -0.29 0.00 0.73 0.00 0.00 38.32 39.37 1v95 h ASN 44 CO 1.17 -0.51 -0.80 0.41 -1.29 0.00 0.00 177.43 176.42 1v95 n THR 45 N -4.28 -0.70 0.00 -3.57 -1.04 -1.26 -5.03 114.28 98.40 1v95 n THR 45 Ca -0.10 -2.54 0.00 0.00 -2.04 0.00 0.00 64.05 59.37 1v95 n THR 45 Cb 0.33 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 1v95 n THR 45 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1v95 n GLU 46 N 2.70 0.00 0.00 -2.82 1.02 -1.26 -5.17 120.64 115.11 1v95 n GLU 46 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1v95 n GLU 46 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1v95 n GLU 46 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1v95 n VAL 47 N 0.00 0.00 -2.95 2.62 0.31 -1.26 -5.17 118.33 111.88 1v95 n VAL 47 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1v95 n VAL 47 Cb 0.00 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.00 1v95 n VAL 47 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1v95 n SER 48 N 0.00 1.86 0.18 4.52 7.64 -1.26 -5.03 113.62 121.53 1v95 n SER 48 Ca 0.00 -2.39 -0.11 0.00 1.01 0.00 0.00 58.87 57.38 1v95 n SER 48 Cb 0.00 -0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 62.69 1v95 n SER 48 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1v95 h LEU 49 N 0.00 -0.43 -0.96 -3.43 6.46 -2.01 -3.17 115.31 111.77 1v95 h LEU 49 Ca -0.27 -0.11 0.30 0.00 -0.12 0.00 0.00 57.88 57.68 1v95 h LEU 49 Cb 1.18 0.11 -0.16 0.00 -0.73 0.00 0.00 40.66 41.06 1v95 h LEU 49 CO 0.36 0.00 0.29 0.77 -0.62 0.00 0.00 178.44 179.25 1v95 h SER 50 N -1.01 0.01 -1.02 1.25 4.64 -1.98 1.36 113.55 116.80 1v95 h SER 50 Ca -0.05 0.23 0.25 0.00 -0.47 0.00 0.00 61.79 61.76 1v95 h SER 50 Cb 0.52 0.31 -0.12 0.00 -0.31 0.00 0.00 62.40 62.80 1v95 h SER 50 CO 0.09 -0.27 0.61 -0.61 -0.87 0.00 0.00 176.83 175.77 1v95 h GLN 51 N 0.12 0.52 -0.16 4.77 -0.00 -1.95 0.73 115.11 119.13 1v95 h GLN 51 Ca 0.66 -0.03 -0.17 0.00 -0.00 0.00 0.00 58.65 59.11 1v95 h GLN 51 Cb 1.49 -0.12 0.01 0.00 0.00 0.00 0.00 27.48 28.86 1v95 h GLN 51 CO -0.75 0.34 -0.57 0.00 0.00 0.00 0.00 178.83 177.85 1v95 h ALA 52 N 1.71 0.28 -0.99 3.38 0.00 0.17 -2.93 119.26 120.89 1v95 h ALA 52 Ca 0.64 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1v95 h ALA 52 Cb 1.31 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1v95 h ALA 52 CO -0.44 0.52 0.66 -0.07 0.00 0.00 0.00 179.25 179.91 1v95 h LEU 53 N 0.35 1.13 -1.80 0.00 3.38 0.47 0.45 115.31 119.29 1v95 h LEU 53 Ca -0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1v95 h LEU 53 Cb 1.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1v95 h LEU 53 CO 0.12 0.81 0.00 -0.08 0.09 0.00 0.00 178.44 179.39 1v95 h GLU 54 N 1.33 0.13 0.00 1.13 4.81 0.28 -0.86 114.58 121.40 1v95 h GLU 54 Ca 0.37 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.36 1v95 h GLU 54 Cb -0.14 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 1v95 h GLU 54 CO -0.08 0.14 -1.29 0.22 -0.73 0.00 0.00 179.01 177.27 1v95 h ASP 55 N 0.13 0.00 -0.80 1.04 1.82 -0.88 -2.90 116.42 114.82 1v95 h ASP 55 Ca 0.03 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 1v95 h ASP 55 Cb 0.08 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.06 1v95 h ASP 55 CO 0.00 0.90 0.39 0.58 -1.61 0.00 0.00 179.24 179.50 1v95 h VAL 56 N 0.00 1.25 0.35 2.25 2.07 0.11 1.28 116.25 123.57 1v95 h VAL 56 Ca -0.14 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1v95 h VAL 56 Cb 1.81 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1v95 h VAL 56 CO 0.09 0.30 -0.17 -1.28 0.02 0.00 0.00 177.57 176.54 1v95 h SER 57 N 1.15 -0.40 -0.77 0.57 0.87 -1.35 0.25 113.55 113.87 1v95 h SER 57 Ca 0.28 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.93 1v95 h SER 57 Cb 0.12 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 1v95 h SER 57 CO -0.03 0.05 0.50 0.08 -0.53 0.00 0.00 176.83 176.89 1v95 h ARG 58 N -1.12 0.72 -0.15 2.24 0.11 -1.49 0.48 114.38 115.16 1v95 h ARG 58 Ca -0.05 -0.04 -0.06 0.00 0.10 0.00 0.00 59.98 59.93 1v95 h ARG 58 Cb 0.37 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 1v95 h ARG 58 CO 0.08 0.48 -0.16 0.78 0.10 0.00 0.00 179.97 181.25 1v95 h GLY 59 N 0.74 0.27 0.00 0.08 0.00 0.16 -3.47 103.07 100.86 1v95 h GLY 59 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1v95 h GLY 59 CO -0.13 0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1v95 n GLY 60 N -0.78 0.98 3.18 4.60 0.00 0.16 -3.47 105.19 109.85 1v95 n GLY 60 Ca -0.01 -0.17 -0.59 0.00 0.00 0.00 0.00 46.02 45.26 1v95 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v95 n SER 61 N 0.00 0.76 0.04 1.61 7.64 0.81 -4.78 113.62 119.70 1v95 n SER 61 Ca 0.00 0.69 -0.15 0.00 1.01 0.00 0.00 58.87 60.42 1v95 n SER 61 Cb 0.00 -0.87 -0.05 0.00 -1.01 0.00 0.00 64.21 62.28 1v95 n SER 61 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1v95 h PRO 62 N 8.49 0.55 -6.57 1.43 0.13 -1.65 -3.37 132.00 131.00 1v95 h PRO 62 Ca -0.12 -0.53 -0.66 0.00 -0.87 0.00 0.00 66.00 63.82 1v95 h PRO 62 Cb 1.37 0.14 -0.16 0.00 0.13 0.00 0.00 31.00 32.48 1v95 h PRO 62 CO 1.05 1.16 -0.75 -0.06 -0.23 0.00 0.00 178.00 179.17 1v95 s PHE 63 N -3.43 2.65 -0.11 1.56 0.08 -0.74 0.19 117.98 118.18 1v95 s PHE 63 Ca -0.07 -0.20 -0.04 0.00 0.12 0.00 0.00 56.93 56.73 1v95 s PHE 63 Cb 0.09 -1.37 0.06 0.00 -0.57 0.00 0.00 43.02 41.22 1v95 s PHE 63 CO 0.88 0.44 0.20 0.00 -0.10 0.00 0.00 175.22 176.64 1v95 s ALA 64 N -1.33 -0.29 -0.13 5.36 0.00 -0.95 -1.46 121.76 122.96 1v95 s ALA 64 Ca 0.21 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 1v95 s ALA 64 Cb -0.10 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 1v95 s ALA 64 CO 0.13 -0.64 0.35 0.42 0.00 0.00 0.00 175.76 176.02 1v95 s ILE 65 N 2.34 5.25 -0.15 0.00 1.01 0.13 -1.76 121.20 128.02 1v95 s ILE 65 Ca 0.03 0.67 -0.09 0.00 0.00 0.00 0.00 60.65 61.25 1v95 s ILE 65 Cb -0.12 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1v95 s ILE 65 CO -0.07 0.41 0.17 0.54 0.00 0.00 0.00 174.94 175.98 1v95 s VAL 66 N 0.26 5.42 0.13 2.92 0.11 -0.56 0.19 120.40 128.87 1v95 s VAL 66 Ca 0.20 0.28 0.06 0.00 -2.93 0.00 0.00 61.98 59.59 1v95 s VAL 66 Cb -0.14 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1v95 s VAL 66 CO 0.07 0.53 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.58 1v95 s ILE 67 N -0.36 1.42 -0.19 7.04 -1.09 0.11 -2.89 121.20 125.24 1v95 s ILE 67 Ca 0.13 -1.76 -0.35 0.00 -2.23 0.00 0.00 60.65 56.44 1v95 s ILE 67 Cb -0.12 -1.60 0.14 0.00 -1.58 0.00 0.00 42.46 39.30 1v95 s ILE 67 CO 0.02 -0.40 1.20 0.28 -1.23 0.00 0.00 174.94 174.81 1v95 s THR 68 N -2.14 0.00 0.07 2.92 -1.32 -1.26 -3.82 115.64 110.08 1v95 s THR 68 Ca 0.10 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.44 1v95 s THR 68 Cb -0.05 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.91 1v95 s THR 68 CO 0.04 0.00 1.19 0.00 -2.21 0.00 0.00 174.62 173.64 1v95 n GLN 69 N -0.07 -0.20 -0.07 7.08 6.02 -1.26 -0.79 117.38 128.09 1v95 n GLN 69 Ca -0.00 1.18 -0.12 0.00 -0.01 0.00 0.00 57.00 58.05 1v95 n GLN 69 Cb 0.58 -1.74 -0.06 0.00 1.02 0.00 0.00 30.24 30.04 1v95 n GLN 69 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1v95 h GLN 70 N 0.00 -0.40 -1.61 -1.09 5.75 -1.98 0.62 115.11 116.41 1v95 h GLN 70 Ca 0.07 0.03 0.47 0.00 -0.15 0.00 0.00 58.65 59.06 1v95 h GLN 70 Cb 0.18 0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.76 1v95 h GLN 70 CO -0.42 -0.27 1.19 0.45 -2.65 0.00 0.00 178.83 177.13 1v95 h HIS 71 N -0.42 0.00 -0.03 3.99 3.86 -1.17 1.11 115.15 122.49 1v95 h HIS 71 Ca 0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1v95 h HIS 71 Cb 0.61 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 1v95 h HIS 71 CO -0.58 0.00 -0.00 0.37 0.86 0.00 0.00 177.93 178.58 1v95 h GLN 72 N 0.00 0.04 0.81 2.45 4.15 0.24 1.40 115.11 124.20 1v95 h GLN 72 Ca 0.76 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 60.13 1v95 h GLN 72 Cb 3.13 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 30.83 1v95 h GLN 72 CO -0.01 0.35 -0.39 0.82 -1.93 0.00 0.00 178.83 177.67 1v95 h ILE 73 N -0.26 0.20 0.00 2.39 2.04 0.15 -1.57 117.51 120.45 1v95 h ILE 73 Ca 0.01 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1v95 h ILE 73 Cb 0.33 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1v95 h ILE 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.56 1v95 n HIS 74 N -5.55 0.00 -4.03 1.37 8.25 -0.53 -4.85 115.22 109.88 1v95 n HIS 74 Ca -0.15 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.99 1v95 n HIS 74 Cb 0.44 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1v95 n HIS 74 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1v95 n ARG 75 N -1.49 -4.45 -4.27 -0.41 1.74 0.44 -4.95 116.66 103.27 1v95 n ARG 75 Ca 0.04 0.50 -0.18 0.00 -0.77 0.00 0.00 57.85 57.44 1v95 n ARG 75 Cb 0.17 -5.26 -0.13 0.00 -1.02 0.00 0.00 32.46 26.22 1v95 n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1v95 s SER 76 N -3.44 1.29 0.45 0.55 1.04 0.78 -4.03 113.70 110.34 1v95 s SER 76 Ca 0.61 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.68 1v95 s SER 76 Cb -0.32 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.69 1v95 s SER 76 CO 0.87 -0.00 0.03 0.00 0.98 0.00 0.00 173.24 175.12 1v95 s THR 78 N -2.94 2.91 -0.26 0.00 2.01 -1.14 -3.30 115.64 112.92 1v95 s THR 78 Ca 0.19 -1.17 -0.20 0.00 0.31 0.00 0.00 61.69 60.82 1v95 s THR 78 Cb 0.04 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 1v95 s THR 78 CO 0.10 0.07 0.61 -0.69 -0.69 0.00 0.00 174.62 174.02 1v95 s VAL 79 N 1.29 4.99 -0.21 3.82 1.01 -1.22 -1.50 120.40 128.58 1v95 s VAL 79 Ca -0.02 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.02 1v95 s VAL 79 Cb -0.18 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.32 1v95 s VAL 79 CO -0.03 0.01 -0.12 0.20 0.00 0.00 0.00 175.10 175.17 1v95 s ASN 80 N 1.51 3.64 0.42 3.32 0.01 -0.72 -2.25 114.94 120.87 1v95 s ASN 80 Ca 0.25 -0.99 -0.22 0.00 -0.71 0.00 0.00 52.86 51.19 1v95 s ASN 80 Cb -0.15 -1.35 -0.10 0.00 0.41 0.00 0.00 41.25 40.06 1v95 s ASN 80 CO 0.09 -0.14 0.98 -0.63 -1.51 0.00 0.00 177.10 175.89 1v95 s ILE 81 N 1.31 4.17 -0.01 0.60 1.01 -1.15 -2.24 121.20 124.88 1v95 s ILE 81 Ca -0.02 1.44 0.06 0.00 0.00 0.00 0.00 60.65 62.13 1v95 s ILE 81 Cb -0.17 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 1v95 s ILE 81 CO -0.08 -0.21 0.12 0.23 0.00 0.00 0.00 174.94 175.00 1v95 n MET 82 N -0.48 0.57 -4.00 2.79 2.81 0.51 -4.62 117.12 114.69 1v95 n MET 82 Ca 0.07 -0.05 -0.31 0.00 -1.81 0.00 0.00 57.70 55.60 1v95 n MET 82 Cb 0.53 -1.15 -0.06 0.00 -0.71 0.00 0.00 33.22 31.84 1v95 n MET 82 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1v95 s PHE 83 N -2.39 3.31 0.00 2.03 -0.12 -1.25 -5.00 117.98 114.57 1v95 s PHE 83 Ca -0.02 0.14 0.00 0.00 -0.05 0.00 0.00 56.93 57.00 1v95 s PHE 83 Cb 0.04 -1.67 0.00 0.00 -0.63 0.00 0.00 43.02 40.75 1v95 s PHE 83 CO 0.25 0.55 0.00 0.41 -0.05 0.00 0.00 175.22 176.38 1v95 n GLY 84 N 0.39 -0.28 3.55 1.99 0.00 -1.26 -4.81 105.19 104.77 1v95 n GLY 84 Ca -0.07 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 1v95 n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1v95 n THR 85 N -0.16 2.50 -2.30 2.61 -1.04 -1.26 -4.82 114.28 109.80 1v95 n THR 85 Ca 0.00 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.14 1v95 n THR 85 Cb 0.00 -0.92 -0.03 0.00 -1.82 0.00 0.00 70.33 67.55 1v95 n THR 85 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1v95 s PRO 86 N -2.07 2.99 -0.28 -2.82 0.04 -1.26 -4.90 135.00 126.70 1v95 s PRO 86 Ca 0.67 -0.24 -0.05 0.00 0.04 0.00 0.00 61.00 61.42 1v95 s PRO 86 Cb -0.52 -4.71 0.02 0.00 0.04 0.00 0.00 34.50 29.32 1v95 s PRO 86 CO 0.55 -2.60 0.04 -0.65 0.04 0.00 0.00 177.00 174.38 1v95 s GLN 87 N 6.19 2.99 -0.31 4.56 -1.52 -1.26 -5.07 119.66 125.24 1v95 s GLN 87 Ca 0.54 -0.91 -0.03 0.00 -1.95 0.00 0.00 55.36 53.02 1v95 s GLN 87 Cb -0.07 -3.25 0.05 0.00 -0.22 0.00 0.00 33.01 29.52 1v95 s GLN 87 CO 0.07 -0.44 0.03 -2.00 -0.25 0.00 0.00 175.29 172.70 1v95 s GLU 88 N 1.44 2.47 -0.34 2.91 2.12 -1.26 -2.95 118.70 123.09 1v95 s GLU 88 Ca 0.02 -1.25 -0.18 0.00 0.36 0.00 0.00 54.97 53.91 1v95 s GLU 88 Cb -0.17 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 1v95 s GLU 88 CO 0.00 -0.64 0.52 -1.01 -0.54 0.00 0.00 175.26 173.59 1v95 s HIS 89 N 1.29 3.19 -0.21 5.30 3.76 -0.96 -5.05 115.29 122.61 1v95 s HIS 89 Ca -0.04 0.25 -0.08 0.00 -0.15 0.00 0.00 55.06 55.03 1v95 s HIS 89 Cb -0.20 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 1v95 s HIS 89 CO -0.00 -0.51 0.10 1.03 -0.85 0.00 0.00 174.74 174.51 1v95 s ARG 90 N 2.39 3.95 -0.19 1.40 0.52 -1.26 -3.40 118.95 122.36 1v95 s ARG 90 Ca 0.19 -0.34 -0.09 0.00 -0.52 0.00 0.00 55.73 54.96 1v95 s ARG 90 Cb -0.15 -3.34 0.04 0.00 0.52 0.00 0.00 34.95 32.01 1v95 s ARG 90 CO 0.13 0.12 0.19 -1.71 0.02 0.00 0.00 175.30 174.04 1v95 n ASN 91 N 4.04 -1.70 -3.82 0.23 2.85 -1.26 -5.06 115.26 110.54 1v95 n ASN 91 Ca -0.16 1.23 -0.13 0.00 -0.11 0.00 0.00 54.58 55.42 1v95 n ASN 91 Cb 0.52 -4.88 -0.14 0.00 1.24 0.00 0.00 39.78 36.53 1v95 n ASN 91 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1v95 s MET 92 N -0.85 0.09 0.24 1.20 -1.94 -1.21 -5.05 119.30 111.77 1v95 s MET 92 Ca -0.22 0.17 -0.30 0.00 -1.71 0.00 0.00 55.69 53.63 1v95 s MET 92 Cb 0.01 -0.02 -0.09 0.00 2.01 0.00 0.00 34.83 36.75 1v95 s MET 92 CO 0.72 -0.05 1.09 -1.25 -0.01 0.00 0.00 175.02 175.52 1v95 s PRO 93 N 0.32 4.63 0.11 2.03 0.04 -1.26 -3.16 135.00 137.71 1v95 s PRO 93 Ca -0.02 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 62.56 1v95 s PRO 93 Cb -0.04 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 1v95 s PRO 93 CO -0.01 0.17 1.26 0.94 0.04 0.00 0.00 177.00 179.40 1v95 n GLN 94 N 1.66 -0.30 -0.38 4.56 -0.06 -1.26 0.33 117.38 121.93 1v95 n GLN 94 Ca 0.00 1.24 -0.10 0.00 -2.00 0.00 0.00 57.00 56.14 1v95 n GLN 94 Cb 0.45 -1.83 -0.09 0.00 -4.06 0.00 0.00 30.24 24.71 1v95 n GLN 94 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1v95 n ALA 95 N -3.22 -0.58 0.14 1.69 0.00 -1.26 0.18 120.51 117.45 1v95 n ALA 95 Ca 0.01 0.78 -0.15 0.00 0.00 0.00 0.00 53.44 54.08 1v95 n ALA 95 Cb 0.18 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 1v95 n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1v95 h ASP 96 N 0.00 -1.29 -0.72 0.00 3.32 -0.95 -0.46 116.42 116.32 1v95 h ASP 96 Ca 0.15 0.14 0.16 0.00 0.02 0.00 0.00 57.03 57.49 1v95 h ASP 96 Cb 0.37 0.47 -0.13 0.00 0.22 0.00 0.00 39.33 40.27 1v95 h ASP 96 CO -0.86 -0.52 -0.09 0.00 -1.72 0.00 0.00 179.24 176.06 1v95 h ALA 97 N -0.30 0.62 -0.15 3.45 0.00 0.28 1.75 119.26 124.92 1v95 h ALA 97 Ca 0.01 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1v95 h ALA 97 Cb 0.71 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1v95 h ALA 97 CO -0.22 -0.42 0.14 0.52 0.00 0.00 0.00 179.25 179.27 1v95 h MET 98 N 0.05 0.00 0.07 0.00 2.86 0.29 0.55 114.93 118.75 1v95 h MET 98 Ca 0.37 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.77 1v95 h MET 98 Cb 0.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1v95 h MET 98 CO -0.69 0.00 -1.29 -0.24 1.06 0.00 0.00 176.91 175.75 1v95 h VAL 99 N 0.00 1.03 0.00 -2.22 3.04 0.36 -1.17 116.25 117.30 1v95 h VAL 99 Ca 0.07 -2.33 -0.01 0.00 -1.01 0.00 0.00 66.70 63.42 1v95 h VAL 99 Cb 0.35 2.62 -0.00 0.00 -2.01 0.00 0.00 31.29 32.25 1v95 h VAL 99 CO -0.00 0.61 -0.06 0.25 -1.01 0.00 0.00 177.57 177.36 1v95 h LEU 100 N -0.52 0.00 0.01 3.16 6.46 0.21 1.40 115.31 126.03 1v95 h LEU 100 Ca -0.30 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.32 1v95 h LEU 100 Cb 1.59 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.50 1v95 h LEU 100 CO -0.02 0.06 -0.73 1.62 -0.62 0.00 0.00 178.44 178.75 1v95 h VAL 101 N 0.00 1.30 -0.33 1.05 3.04 -0.04 -2.10 116.25 119.18 1v95 h VAL 101 Ca -0.00 -2.27 -0.03 0.00 -1.01 0.00 0.00 66.70 63.39 1v95 h VAL 101 Cb 0.12 2.76 -0.02 0.00 -2.01 0.00 0.00 31.29 32.15 1v95 h VAL 101 CO 0.01 0.47 0.09 0.00 -1.01 0.00 0.00 177.57 177.12 1v95 h ALA 102 N -0.25 1.54 0.12 3.17 0.00 -0.83 0.22 119.26 123.23 1v95 h ALA 102 Ca -0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1v95 h ALA 102 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1v95 h ALA 102 CO -0.10 0.35 -0.06 0.00 0.00 0.00 0.00 179.25 179.44 1v95 h ARG 103 N 0.47 -0.15 -0.73 0.00 2.47 0.18 -2.60 114.38 114.01 1v95 h ARG 103 Ca 0.11 0.01 0.16 0.00 -1.26 0.00 0.00 59.98 59.00 1v95 h ARG 103 Cb 0.17 0.03 -0.13 0.00 -1.65 0.00 0.00 29.97 28.40 1v95 h ARG 103 CO -0.01 -0.10 -0.02 -0.91 0.56 0.00 0.00 179.97 179.49 1v95 h ASN 104 N -0.38 -0.38 -0.25 7.04 2.35 -1.37 0.34 115.58 122.93 1v95 h ASN 104 Ca -0.02 0.19 0.06 0.00 -0.55 0.00 0.00 56.30 55.99 1v95 h ASN 104 Cb 0.12 0.35 -0.07 0.00 0.05 0.00 0.00 38.32 38.76 1v95 h ASN 104 CO 0.03 -0.18 -0.32 0.22 -1.65 0.00 0.00 177.43 175.52 1v95 h TYR 105 N 0.09 -0.90 -0.77 1.19 3.20 -0.67 0.68 116.97 119.80 1v95 h TYR 105 Ca 0.39 0.05 0.14 0.00 3.14 0.00 0.00 58.73 62.45 1v95 h TYR 105 Cb 0.67 0.43 -0.14 0.00 1.54 0.00 0.00 36.73 39.24 1v95 h TYR 105 CO -0.44 -0.39 -0.30 0.93 -1.64 0.00 0.00 178.16 176.32 1v95 h GLU 106 N -0.33 -0.06 0.93 1.82 4.39 -0.52 0.20 114.58 121.00 1v95 h GLU 106 Ca 0.13 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 1v95 h GLU 106 Cb 0.54 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1v95 h GLU 106 CO -0.43 -0.04 -0.46 -0.09 -1.16 0.00 0.00 179.01 176.83 1v95 h ARG 107 N -0.07 -1.22 -0.78 2.33 2.43 -0.94 0.29 114.38 116.43 1v95 h ARG 107 Ca 0.32 0.08 0.23 0.00 -0.81 0.00 0.00 59.98 59.80 1v95 h ARG 107 Cb 0.58 0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 1v95 h ARG 107 CO -0.81 -0.81 0.86 -0.92 -1.51 0.00 0.00 179.97 176.77 1v95 h TYR 108 N -1.27 0.00 0.18 2.20 3.20 0.38 1.41 116.97 123.07 1v95 h TYR 108 Ca -0.13 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.41 1v95 h TYR 108 Cb 0.98 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.26 1v95 h TYR 108 CO -0.02 0.00 -1.62 -0.22 -1.64 0.00 0.00 178.16 174.66 1v95 h LYS 109 N 0.00 0.38 -0.20 1.82 3.64 0.18 -3.25 116.57 119.14 1v95 h LYS 109 Ca 0.37 -0.65 0.06 0.00 -1.27 0.00 0.00 60.65 59.15 1v95 h LYS 109 Cb 2.08 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 34.14 1v95 h LYS 109 CO -0.00 1.29 0.44 -0.91 -2.27 0.00 0.00 179.45 177.99 1v95 h ASN 110 N 0.10 0.00 0.83 4.20 2.35 0.40 1.39 115.58 124.85 1v95 h ASN 110 Ca -0.29 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.38 1v95 h ASN 110 Cb 2.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.45 1v95 h ASN 110 CO 0.20 0.00 -0.38 -0.33 -1.65 0.00 0.00 177.43 175.26 1v95 h GLU 111 N 0.00 0.00 -0.15 0.81 5.08 -1.50 -1.65 114.58 117.18 1v95 h GLU 111 Ca 0.10 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1v95 h GLU 111 Cb 0.97 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1v95 h GLU 111 CO -0.00 0.38 -0.06 0.00 -1.00 0.00 0.00 179.01 178.33 1v95 h ARG 113 N -0.03 -0.03 -2.98 0.00 3.08 -1.60 -3.41 114.38 109.41 1v95 h ARG 113 Ca 0.08 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.53 1v95 h ARG 113 Cb 0.15 0.01 -0.40 0.00 0.08 0.00 0.00 29.97 29.81 1v95 h ARG 113 CO -0.17 0.57 -0.77 -1.21 -1.07 0.00 0.00 179.97 177.32 1v95 s GLU 114 N -3.71 0.95 -0.13 0.04 2.02 -0.63 -5.10 118.70 112.14 1v95 s GLU 114 Ca -0.16 -1.60 -0.29 0.00 0.02 0.00 0.00 54.97 52.93 1v95 s GLU 114 Cb 0.00 -1.96 -0.01 0.00 0.10 0.00 0.00 34.13 32.26 1v95 s GLU 114 CO 0.66 -1.14 1.03 0.21 0.02 0.00 0.00 175.26 176.04 1v95 s LYS 115 N 0.84 4.38 -0.39 1.61 2.20 0.10 -4.10 119.74 124.37 1v95 s LYS 115 Ca 0.16 1.41 -0.03 0.00 -0.36 0.00 0.00 55.97 57.15 1v95 s LYS 115 Cb -0.23 -3.57 0.21 0.00 -1.51 0.00 0.00 37.83 32.73 1v95 s LYS 115 CO -0.05 -0.41 0.99 -2.00 -0.36 0.00 0.00 175.35 173.52 1v95 s GLU 116 N 2.34 0.46 -0.48 4.03 -6.30 -1.26 -5.08 118.70 112.41 1v95 s GLU 116 Ca 0.48 -0.45 -0.32 0.00 -2.50 0.00 0.00 54.97 52.18 1v95 s GLU 116 Cb -0.18 -0.02 -0.15 0.00 0.00 0.00 0.00 34.13 33.78 1v95 s GLU 116 CO 0.15 -0.57 1.76 0.54 0.02 0.00 0.00 175.26 177.16 1v95 n ARG 117 N 2.72 0.00 -0.89 4.30 3.00 -1.26 -4.78 116.66 119.74 1v95 n ARG 117 Ca 0.13 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.61 1v95 n ARG 117 Cb 0.62 -1.16 0.08 0.00 0.00 0.00 0.00 32.46 32.00 1v95 n ARG 117 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1v95 n GLU 118 N 5.98 -0.45 -1.65 5.56 1.02 -1.26 -4.90 120.64 124.95 1v95 n GLU 118 Ca 0.45 -0.12 -0.20 0.00 -0.02 0.00 0.00 57.16 57.27 1v95 n GLU 118 Cb -0.02 -1.29 0.07 0.00 -0.02 0.00 0.00 31.44 30.18 1v95 n GLU 118 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v95 n GLU 119 N 0.79 3.09 -3.74 3.49 1.02 -1.26 -5.00 120.64 119.03 1v95 n GLU 119 Ca -0.00 -3.87 -0.36 0.00 -0.02 0.00 0.00 57.16 52.91 1v95 n GLU 119 Cb 0.65 -2.16 -0.10 0.00 -0.02 0.00 0.00 31.44 29.81 1v95 n GLU 119 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1v95 s ILE 120 N -4.33 5.08 0.49 -3.67 1.01 -1.26 -4.96 121.20 113.56 1v95 s ILE 120 Ca 0.50 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1v95 s ILE 120 Cb 0.42 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1v95 s ILE 120 CO 0.02 0.36 0.00 0.00 0.00 0.00 0.00 174.94 175.32 1v95 n ALA 121 N 4.30 -3.52 -2.66 9.38 0.00 -1.26 -5.00 120.51 121.75 1v95 n ALA 121 Ca -0.15 0.73 0.02 0.00 0.00 0.00 0.00 53.44 54.04 1v95 n ALA 121 Cb 0.52 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.58 1v95 n ALA 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1v95 s ARG 122 N -3.93 0.01 0.08 0.00 3.00 -1.26 -5.08 118.95 111.78 1v95 s ARG 122 Ca 0.00 -0.00 -0.16 0.00 -1.00 0.00 0.00 55.73 54.56 1v95 s ARG 122 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 34.95 34.89 1v95 s ARG 122 CO 0.00 -0.02 0.53 -0.65 0.00 0.00 0.00 175.30 175.16 1v95 s GLN 123 N 1.99 4.06 0.37 5.12 1.11 -1.26 -4.88 119.66 126.17 1v95 s GLN 123 Ca 0.14 0.57 0.00 0.00 0.01 0.00 0.00 55.36 56.08 1v95 s GLN 123 Cb 0.05 -3.12 0.00 0.00 -1.01 0.00 0.00 33.01 28.93 1v95 s GLN 123 CO -0.17 0.59 0.00 0.00 0.01 0.00 0.00 175.29 175.72 1v95 n ALA 124 N 1.40 0.42 0.48 6.09 0.00 -1.26 -4.93 120.51 122.70 1v95 n ALA 124 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 1v95 n ALA 124 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1v95 n ALA 124 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1v95 h SER 125 N 0.00 -1.19 0.00 0.00 0.02 -2.03 -3.36 113.55 106.99 1v95 h SER 125 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1v95 h SER 125 Cb 0.00 0.33 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1v95 h SER 125 CO 0.00 -0.78 0.00 0.61 -1.14 0.00 0.00 176.83 175.52 1v95 n GLY 126 N -1.64 -1.76 3.64 -3.77 0.00 -1.26 -4.33 105.19 96.06 1v95 n GLY 126 Ca -0.16 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1v95 n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v95 s PRO 127 N -0.36 4.01 -0.16 1.61 0.04 -1.26 -5.01 135.00 133.88 1v95 s PRO 127 Ca 0.00 1.43 -0.08 0.00 0.04 0.00 0.00 61.00 62.39 1v95 s PRO 127 Cb 0.00 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 1v95 s PRO 127 CO 0.00 -0.99 0.12 -1.54 0.04 0.00 0.00 177.00 174.63 1v95 s SER 128 N 2.64 6.19 0.45 6.66 1.04 -1.26 -4.41 113.70 125.02 1v95 s SER 128 Ca 0.57 0.32 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1v95 s SER 128 Cb -0.19 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1v95 s SER 128 CO 0.21 0.29 0.00 -0.24 0.98 0.00 0.00 173.24 174.48 1v95 n SER 129 N 2.77 -5.75 0.00 7.02 2.88 -1.26 -5.19 113.62 114.09 1v95 n SER 129 Ca -0.18 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1v95 n SER 129 Cb 0.53 -3.59 0.00 0.00 -0.75 0.00 0.00 64.21 60.40 1v95 n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42