#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 2.65 0.63 1.61 0.15 -1.26 -5.09 113.70 112.40 1v95 s SER 2 Ca 0.00 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.88 1v95 s SER 2 Cb 0.00 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1v95 s SER 2 CO 0.00 -0.36 0.00 -0.24 1.20 0.00 0.00 173.24 173.84 1v95 n SER 3 N 5.23 -8.25 0.00 5.45 2.88 -1.26 -4.97 113.62 112.71 1v95 n SER 3 Ca -0.07 1.66 0.00 0.00 -1.33 0.00 0.00 58.87 59.13 1v95 n SER 3 Cb 0.47 -5.16 0.00 0.00 -0.75 0.00 0.00 64.21 58.78 1v95 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v95 n GLY 4 N -3.79 2.29 2.96 0.46 0.00 -1.26 -5.00 105.19 100.85 1v95 n GLY 4 Ca -0.06 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 1v95 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v95 n SER 5 N 0.00 -7.40 -3.31 1.61 7.64 -1.26 -5.02 113.62 105.88 1v95 n SER 5 Ca 0.00 0.73 -0.11 0.00 1.01 0.00 0.00 58.87 60.50 1v95 n SER 5 Cb 0.00 -4.21 -0.05 0.00 -1.01 0.00 0.00 64.21 58.94 1v95 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v95 s SER 6 N -1.83 0.27 1.36 6.43 0.15 -1.26 -5.15 113.70 113.67 1v95 s SER 6 Ca 0.14 -1.35 -0.21 0.00 0.70 0.00 0.00 55.95 55.24 1v95 s SER 6 Cb -0.03 1.02 0.34 0.00 -1.71 0.00 0.00 66.02 65.63 1v95 s SER 6 CO 0.67 -0.23 0.82 0.61 1.20 0.00 0.00 173.24 176.31 1v95 n GLY 7 N 4.26 -3.35 3.75 9.45 0.00 -1.26 -4.91 105.19 113.13 1v95 n GLY 7 Ca 0.11 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1v95 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v95 s PRO 8 N -4.69 4.62 -0.19 1.61 0.04 -1.26 -4.87 135.00 130.26 1v95 s PRO 8 Ca 0.64 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 63.44 1v95 s PRO 8 Cb -0.14 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.21 1v95 s PRO 8 CO 0.56 0.15 -0.06 0.08 0.04 0.00 0.00 177.00 177.77 1v95 s VAL 9 N -0.70 1.30 0.34 -0.36 1.01 -1.26 -4.93 120.40 115.79 1v95 s VAL 9 Ca 0.47 -0.84 0.12 0.00 0.00 0.00 0.00 61.98 61.73 1v95 s VAL 9 Cb -0.31 -1.48 0.35 0.00 0.00 0.00 0.00 36.38 34.94 1v95 s VAL 9 CO 0.38 0.08 1.61 0.44 0.00 0.00 0.00 175.10 177.61 1v95 h ASP 10 N 8.06 0.16 -2.20 3.32 5.19 -1.57 -3.29 116.42 126.08 1v95 h ASP 10 Ca -0.24 0.24 -0.22 0.00 -0.62 0.00 0.00 57.03 56.19 1v95 h ASP 10 Cb 1.10 0.28 -0.32 0.00 0.18 0.00 0.00 39.33 40.57 1v95 h ASP 10 CO 0.42 -0.30 -0.54 0.00 -3.12 0.00 0.00 179.24 175.70 1v95 s SER 12 N 2.46 6.46 -0.13 0.00 0.01 -0.52 -3.22 113.70 118.76 1v95 s SER 12 Ca 0.10 0.54 -0.21 0.00 1.31 0.00 0.00 55.95 57.68 1v95 s SER 12 Cb -0.15 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 1v95 s SER 12 CO -0.14 0.20 0.64 -0.69 0.41 0.00 0.00 173.24 173.65 1v95 s VAL 13 N -0.04 5.06 -0.38 3.43 1.01 0.50 0.40 120.40 130.39 1v95 s VAL 13 Ca 0.16 1.26 -0.08 0.00 0.00 0.00 0.00 61.98 63.33 1v95 s VAL 13 Cb -0.13 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1v95 s VAL 13 CO 0.05 0.21 0.18 -0.63 0.00 0.00 0.00 175.10 174.90 1v95 s ILE 14 N 1.23 4.05 -0.42 2.22 -1.09 0.43 -0.08 121.20 127.54 1v95 s ILE 14 Ca 0.32 -1.22 0.02 0.00 -2.23 0.00 0.00 60.65 57.55 1v95 s ILE 14 Cb -0.16 -3.37 0.11 0.00 -1.58 0.00 0.00 42.46 37.46 1v95 s ILE 14 CO 0.13 -0.32 0.16 0.54 -1.23 0.00 0.00 174.94 174.22 1v95 s VAL 15 N 1.43 2.66 -0.88 2.92 0.11 -0.51 0.17 120.40 126.30 1v95 s VAL 15 Ca 0.01 -2.57 -0.08 0.00 -2.93 0.00 0.00 61.98 56.41 1v95 s VAL 15 Cb -0.21 -2.88 -0.16 0.00 -1.53 0.00 0.00 36.38 31.60 1v95 s VAL 15 CO 0.03 -0.69 3.10 1.33 -3.33 0.00 0.00 175.10 175.54 1v95 n VAL 16 N 3.99 3.53 -3.96 2.04 0.24 -1.25 -2.83 118.33 120.09 1v95 n VAL 16 Ca 0.03 -1.99 0.00 0.00 -2.04 0.00 0.00 64.34 60.35 1v95 n VAL 16 Cb 0.39 -2.30 0.00 0.00 -1.47 0.00 0.00 33.84 30.46 1v95 n VAL 16 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1v95 n ASN 17 N 3.19 -0.12 0.00 -1.34 3.02 -1.16 -4.90 115.26 113.94 1v95 n ASN 17 Ca 0.60 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1v95 n ASN 17 Cb 0.49 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 1v95 n ASN 17 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1v95 n LYS 18 N -0.11 0.00 -0.33 3.52 4.76 -1.26 -4.42 118.16 120.32 1v95 n LYS 18 Ca 0.01 0.00 0.23 0.00 -2.87 0.00 0.00 58.31 55.68 1v95 n LYS 18 Cb 0.06 -0.78 0.44 0.00 -1.84 0.00 0.00 35.03 32.91 1v95 n LYS 18 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1v95 h GLN 19 N 0.00 0.03 -2.17 1.97 5.75 -1.98 0.49 115.11 119.20 1v95 h GLN 19 Ca 0.00 -0.00 -0.54 0.00 -0.15 0.00 0.00 58.65 57.96 1v95 h GLN 19 Cb 0.88 -0.01 -0.15 0.00 1.07 0.00 0.00 27.48 29.28 1v95 h GLN 19 CO 0.00 0.02 0.90 0.25 -2.65 0.00 0.00 178.83 177.35 1v95 n THR 20 N -5.35 3.79 -0.08 2.39 -2.24 -1.26 -4.36 114.28 107.17 1v95 n THR 20 Ca 0.30 -3.18 -0.21 0.00 -2.27 0.00 0.00 64.05 58.68 1v95 n THR 20 Cb 1.01 -1.77 -0.12 0.00 -2.10 0.00 0.00 70.33 67.35 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 3.44 0.06 -0.10 -0.78 3.64 -0.32 -2.96 116.57 119.54 1v95 h LYS 21 Ca 0.46 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1v95 h LYS 21 Cb 0.68 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1v95 h LYS 21 CO 0.99 1.05 -0.23 -0.44 -2.27 0.00 0.00 179.45 178.55 1v95 h ASP 22 N -0.77 0.38 0.61 4.20 5.19 -1.81 -1.29 116.42 122.92 1v95 h ASP 22 Ca -0.34 -0.58 -0.03 0.00 -0.62 0.00 0.00 57.03 55.47 1v95 h ASP 22 Cb 1.44 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.84 1v95 h ASP 22 CO -0.13 0.89 -0.35 0.22 -3.12 0.00 0.00 179.24 176.75 1v95 h TYR 23 N -0.11 -0.91 -0.79 4.55 5.03 -1.85 -2.09 116.97 120.81 1v95 h TYR 23 Ca -0.00 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.39 1v95 h TYR 23 Cb 0.83 0.32 -0.07 0.00 1.55 0.00 0.00 36.73 39.36 1v95 h TYR 23 CO 0.11 -0.54 0.44 0.00 -1.32 0.00 0.00 178.16 176.85 1v95 h ALA 24 N -0.54 1.12 0.00 1.82 0.00 -1.61 0.61 119.26 120.65 1v95 h ALA 24 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1v95 h ALA 24 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1v95 h ALA 24 CO 0.10 0.06 0.01 0.39 0.00 0.00 0.00 179.25 179.80 1v95 n GLU 25 N -4.78 0.12 -0.02 0.00 1.02 -0.49 -0.91 120.64 115.59 1v95 n GLU 25 Ca 0.13 0.62 -0.01 0.00 -0.02 0.00 0.00 57.16 57.88 1v95 n GLU 25 Cb 0.27 -1.91 -0.00 0.00 -0.02 0.00 0.00 31.44 29.78 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 -0.91 1.62 0.87 0.89 -3.20 113.55 112.82 1v95 h SER 26 Ca 0.00 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.82 1v95 h SER 26 Cb 0.01 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 1v95 h SER 26 CO 0.00 0.17 0.73 1.62 -0.53 0.00 0.00 176.83 178.82 1v95 h VAL 27 N -0.26 0.41 0.00 2.23 3.04 -1.25 1.78 116.25 122.20 1v95 h VAL 27 Ca 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 1v95 h VAL 27 Cb 0.09 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 1v95 h VAL 27 CO 0.00 0.00 -0.43 1.23 -1.01 0.00 0.00 177.57 177.36 1v95 h GLY 28 N 0.00 0.00 0.80 3.17 0.00 -1.18 -3.08 103.07 102.78 1v95 h GLY 28 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.45 1v95 h GLY 28 CO -0.00 0.00 -1.84 -0.96 0.00 0.00 0.00 176.54 173.74 1v95 n ARG 29 N -3.66 0.65 -0.34 4.80 1.85 0.56 -3.85 116.66 116.68 1v95 n ARG 29 Ca -0.01 0.25 0.11 0.00 -1.00 0.00 0.00 57.85 57.20 1v95 n ARG 29 Cb 0.51 -1.75 0.28 0.00 -1.05 0.00 0.00 32.46 30.46 1v95 n ARG 29 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1v95 h LYS 30 N 0.01 0.72 -0.05 2.89 6.56 -0.26 0.71 116.57 127.15 1v95 h LYS 30 Ca -0.34 -0.04 -0.12 0.00 -1.06 0.00 0.00 60.65 59.09 1v95 h LYS 30 Cb 2.04 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 33.53 1v95 h LYS 30 CO 0.07 0.48 -0.51 0.28 -2.06 0.00 0.00 179.45 177.71 1v95 h VAL 31 N 0.75 1.36 -0.11 0.50 2.07 -1.69 -2.72 116.25 116.41 1v95 h VAL 31 Ca 0.54 -1.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.18 1v95 h VAL 31 Cb 0.78 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1v95 h VAL 31 CO -0.37 0.51 -0.43 0.03 0.02 0.00 0.00 177.57 177.34 1v95 h ARG 32 N 0.11 0.25 0.00 1.57 3.08 0.21 -2.04 114.38 117.55 1v95 h ARG 32 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1v95 h ARG 32 Cb 0.94 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1v95 h ARG 32 CO 0.07 0.64 0.00 0.22 -1.07 0.00 0.00 179.97 179.83 1v95 h ASP 33 N 0.21 0.00 0.48 7.04 1.82 -0.25 0.80 116.42 126.52 1v95 h ASP 33 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1v95 h ASP 33 Cb 0.84 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.85 1v95 h ASP 33 CO 0.07 0.00 -0.78 0.18 -1.61 0.00 0.00 179.24 177.09 1v95 n LEU 34 N -2.67 0.63 0.00 2.28 4.77 -0.79 -4.94 117.00 116.28 1v95 n LEU 34 Ca -0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1v95 n LEU 34 Cb 0.05 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1v95 n LEU 34 CO 0.15 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1v95 n GLY 35 N 1.42 1.70 3.48 -0.72 0.00 0.28 -5.10 105.19 106.25 1v95 n GLY 35 Ca 0.04 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.16 3.07 0.03 1.61 1.00 -1.08 -5.01 119.30 117.76 1v95 s MET 36 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 55.69 54.77 1v95 s MET 36 Cb 0.00 -2.62 -0.07 0.00 0.00 0.00 0.00 34.83 32.14 1v95 s MET 36 CO 0.00 0.44 1.63 0.08 0.00 0.00 0.00 175.02 177.17 1v95 s VAL 37 N -0.22 3.27 0.06 -6.03 1.01 -1.26 -3.50 120.40 113.73 1v95 s VAL 37 Ca 0.02 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.64 1v95 s VAL 37 Cb -0.13 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1v95 s VAL 37 CO 0.03 -0.02 -0.08 -0.69 0.00 0.00 0.00 175.10 174.34 1v95 s VAL 38 N 3.01 0.59 0.19 2.92 1.01 -1.26 -1.39 120.40 125.48 1v95 s VAL 38 Ca 0.73 -1.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1v95 s VAL 38 Cb -0.37 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1v95 s VAL 38 CO 0.31 -0.50 0.22 -0.62 0.00 0.00 0.00 175.10 174.52 1v95 s ASP 39 N -1.93 0.10 -0.14 3.32 -1.08 -1.20 -5.00 116.67 110.74 1v95 s ASP 39 Ca -0.05 -1.16 -0.00 0.00 -0.52 0.00 0.00 52.55 50.82 1v95 s ASP 39 Cb -0.06 0.42 -0.01 0.00 -1.46 0.00 0.00 42.92 41.81 1v95 s ASP 39 CO -0.01 -0.90 -0.13 -0.76 0.52 0.00 0.00 175.17 173.89 1v95 s LEU 40 N -3.08 2.65 -0.31 -1.34 1.02 -1.26 -0.37 118.68 116.00 1v95 s LEU 40 Ca 0.29 -0.37 -0.04 0.00 0.02 0.00 0.00 54.13 54.03 1v95 s LEU 40 Cb 0.05 -1.60 0.04 0.00 0.02 0.00 0.00 46.19 44.70 1v95 s LEU 40 CO 0.08 0.14 0.03 -0.63 0.02 0.00 0.00 176.35 175.98 1v95 s ILE 41 N 0.51 3.29 -0.11 -0.59 1.01 0.89 -4.94 121.20 121.25 1v95 s ILE 41 Ca -0.09 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.23 1v95 s ILE 41 Cb -0.16 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 1v95 s ILE 41 CO 0.04 -0.08 0.25 -0.36 0.00 0.00 0.00 174.94 174.79 1v95 s PHE 42 N 1.33 3.56 -0.03 3.97 0.08 -1.26 -1.43 117.98 124.20 1v95 s PHE 42 Ca -0.03 0.64 0.02 0.00 0.12 0.00 0.00 56.93 57.68 1v95 s PHE 42 Cb -0.19 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.09 1v95 s PHE 42 CO 0.00 0.50 -0.07 -0.51 -0.10 0.00 0.00 175.22 175.04 1v95 s LEU 43 N -0.38 1.71 -0.30 -0.37 1.43 -1.13 -5.01 118.68 114.63 1v95 s LEU 43 Ca 0.17 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.95 1v95 s LEU 43 Cb -0.13 -0.46 0.18 0.00 0.03 0.00 0.00 46.19 45.81 1v95 s LEU 43 CO 0.05 0.03 1.14 0.21 0.23 0.00 0.00 176.35 178.02 1v95 s ASN 44 N 0.32 -0.31 -1.76 2.29 3.84 -1.26 -2.99 114.94 115.07 1v95 s ASN 44 Ca -0.04 0.43 -0.21 0.00 0.21 0.00 0.00 52.86 53.25 1v95 s ASN 44 Cb -0.09 1.33 0.19 0.00 -0.55 0.00 0.00 41.25 42.13 1v95 s ASN 44 CO 0.00 -0.06 0.71 0.35 -2.79 0.00 0.00 177.10 175.32 1v95 n THR 45 N 4.62 -0.62 0.01 -5.21 -2.24 -1.26 -4.68 114.28 104.90 1v95 n THR 45 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1v95 n THR 45 Cb 0.54 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 1v95 n THR 45 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1v95 n GLU 46 N -4.24 0.00 -4.38 -0.78 2.13 -1.26 -5.16 120.64 106.95 1v95 n GLU 46 Ca 0.09 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.69 1v95 n GLU 46 Cb 0.47 -0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.10 1v95 n GLU 46 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1v95 s VAL 47 N -1.07 0.19 0.38 6.31 -7.23 -1.26 -5.17 120.40 112.54 1v95 s VAL 47 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1v95 s VAL 47 Cb 0.00 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 1v95 s VAL 47 CO 0.00 0.00 0.43 -0.55 -0.31 0.00 0.00 175.10 174.67 1v95 s SER 48 N -3.48 5.51 0.12 4.85 0.15 -1.26 -4.50 113.70 115.09 1v95 s SER 48 Ca 0.33 -0.45 -0.27 0.00 0.70 0.00 0.00 55.95 56.27 1v95 s SER 48 Cb 0.02 -0.87 -0.05 0.00 -1.71 0.00 0.00 66.02 63.41 1v95 s SER 48 CO 0.23 -0.55 1.62 0.25 1.20 0.00 0.00 173.24 176.00 1v95 h LEU 49 N 0.94 -0.87 -0.82 3.45 6.46 -1.99 -0.96 115.31 121.52 1v95 h LEU 49 Ca -0.43 0.11 0.19 0.00 -0.12 0.00 0.00 57.88 57.64 1v95 h LEU 49 Cb 1.26 0.35 -0.12 0.00 -0.73 0.00 0.00 40.66 41.42 1v95 h LEU 49 CO 0.53 -0.36 0.28 0.77 -0.62 0.00 0.00 178.44 179.04 1v95 h SER 50 N -0.45 0.15 -1.08 1.25 4.64 -1.98 0.67 113.55 116.75 1v95 h SER 50 Ca 0.06 0.15 0.29 0.00 -0.47 0.00 0.00 61.79 61.82 1v95 h SER 50 Cb 0.53 0.18 -0.09 0.00 -0.31 0.00 0.00 62.40 62.71 1v95 h SER 50 CO -0.24 -0.03 0.71 -0.61 -0.87 0.00 0.00 176.83 175.79 1v95 h GLN 51 N 0.33 0.29 0.18 4.77 5.75 -1.56 0.97 115.11 125.82 1v95 h GLN 51 Ca 0.49 -0.02 -0.31 0.00 -0.15 0.00 0.00 58.65 58.67 1v95 h GLN 51 Cb 0.89 -0.06 0.02 0.00 1.07 0.00 0.00 27.48 29.40 1v95 h GLN 51 CO -0.53 0.19 -1.34 0.00 -2.65 0.00 0.00 178.83 174.50 1v95 h ALA 52 N 1.58 -0.03 -0.57 3.38 0.00 0.48 -3.06 119.26 121.04 1v95 h ALA 52 Ca 0.60 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1v95 h ALA 52 Cb 1.71 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 1v95 h ALA 52 CO -0.24 0.78 0.24 -0.07 0.00 0.00 0.00 179.25 179.96 1v95 h LEU 53 N 0.15 0.78 -1.81 0.00 3.38 0.13 0.24 115.31 118.19 1v95 h LEU 53 Ca -0.20 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1v95 h LEU 53 Cb 2.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 1v95 h LEU 53 CO 0.24 0.73 0.10 -0.08 0.09 0.00 0.00 178.44 179.52 1v95 h GLU 54 N 0.79 0.23 0.00 1.13 4.81 0.56 0.77 114.58 122.86 1v95 h GLU 54 Ca 0.19 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1v95 h GLU 54 Cb 0.18 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1v95 h GLU 54 CO -0.02 0.16 -0.60 0.22 -0.73 0.00 0.00 179.01 178.04 1v95 h ASP 55 N 0.23 0.00 -0.37 1.04 1.82 -1.23 -2.41 116.42 115.50 1v95 h ASP 55 Ca 0.06 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.57 1v95 h ASP 55 Cb -0.01 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 1v95 h ASP 55 CO -0.01 0.27 -0.28 0.58 -1.61 0.00 0.00 179.24 178.18 1v95 h VAL 56 N 0.00 1.28 0.14 2.25 2.07 0.18 0.76 116.25 122.93 1v95 h VAL 56 Ca -0.03 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 1v95 h VAL 56 Cb 1.23 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1v95 h VAL 56 CO 0.03 0.48 -0.07 -1.28 0.02 0.00 0.00 177.57 176.75 1v95 h SER 57 N 0.65 -0.16 -0.65 0.57 0.87 -1.31 0.33 113.55 113.85 1v95 h SER 57 Ca 0.07 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1v95 h SER 57 Cb 0.86 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 1v95 h SER 57 CO 0.07 0.43 0.41 0.08 -0.53 0.00 0.00 176.83 177.29 1v95 h ARG 58 N -0.96 0.88 -0.13 2.24 0.11 -1.51 -1.22 114.38 113.78 1v95 h ARG 58 Ca -0.02 -0.07 -0.06 0.00 0.10 0.00 0.00 59.98 59.93 1v95 h ARG 58 Cb 0.45 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 1v95 h ARG 58 CO 0.03 0.60 -0.20 0.78 0.10 0.00 0.00 179.97 181.29 1v95 h GLY 59 N 0.92 0.24 0.00 0.08 0.00 0.47 -3.47 103.07 101.31 1v95 h GLY 59 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1v95 h GLY 59 CO -0.05 0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.25 1v95 n GLY 60 N -0.73 0.78 3.39 4.60 0.00 -0.46 -4.25 105.19 108.52 1v95 n GLY 60 Ca -0.01 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.39 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 0.90 0.03 1.61 7.64 0.11 -4.80 113.62 119.12 1v95 n SER 61 Ca 0.00 0.85 -0.16 0.00 1.01 0.00 0.00 58.87 60.56 1v95 n SER 61 Cb 0.00 -0.89 -0.06 0.00 -1.01 0.00 0.00 64.21 62.25 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 7.59 0.61 -6.55 1.43 0.13 -1.62 -3.38 132.00 130.21 1v95 h PRO 62 Ca -0.21 -0.60 -0.65 0.00 -0.87 0.00 0.00 66.00 63.67 1v95 h PRO 62 Cb 1.39 0.16 -0.16 0.00 0.13 0.00 0.00 31.00 32.52 1v95 h PRO 62 CO 1.04 1.21 -0.75 -0.06 -0.23 0.00 0.00 178.00 179.21 1v95 s PHE 63 N -3.45 2.61 -0.06 1.56 0.08 0.06 0.19 117.98 118.97 1v95 s PHE 63 Ca -0.08 -0.23 -0.03 0.00 0.12 0.00 0.00 56.93 56.71 1v95 s PHE 63 Cb 0.08 -1.32 0.04 0.00 -0.57 0.00 0.00 43.02 41.25 1v95 s PHE 63 CO 0.89 0.46 0.12 0.00 -0.10 0.00 0.00 175.22 176.60 1v95 s ALA 64 N -1.45 -0.07 -0.11 5.36 0.00 0.69 -1.43 121.76 124.74 1v95 s ALA 64 Ca 0.22 0.48 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 1v95 s ALA 64 Cb -0.10 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1v95 s ALA 64 CO 0.13 -0.42 0.33 0.42 0.00 0.00 0.00 175.76 176.22 1v95 s ILE 65 N 1.92 5.25 -0.23 0.00 1.01 0.16 -0.89 121.20 128.42 1v95 s ILE 65 Ca -0.00 0.63 -0.10 0.00 0.00 0.00 0.00 60.65 61.19 1v95 s ILE 65 Cb -0.12 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1v95 s ILE 65 CO -0.05 0.45 0.13 -0.69 0.00 0.00 0.00 174.94 174.78 1v95 s VAL 66 N -0.01 5.15 0.16 2.92 1.01 -0.58 0.16 120.40 129.22 1v95 s VAL 66 Ca 0.19 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.36 1v95 s VAL 66 Cb -0.14 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1v95 s VAL 66 CO 0.07 0.37 -0.18 -0.63 0.00 0.00 0.00 175.10 174.73 1v95 s ILE 67 N 0.96 1.79 -0.00 2.22 -1.09 0.13 -3.02 121.20 122.18 1v95 s ILE 67 Ca 0.07 -1.92 -0.01 0.00 -2.23 0.00 0.00 60.65 56.56 1v95 s ILE 67 Cb -0.13 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.91 1v95 s ILE 67 CO 0.03 -0.33 0.03 1.07 -1.23 0.00 0.00 174.94 174.51 1v95 n THR 68 N 0.28 0.00 0.19 2.92 5.66 -1.26 -3.86 114.28 118.20 1v95 n THR 68 Ca -0.13 -0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.77 1v95 n THR 68 Cb 0.57 0.01 -0.05 0.00 -1.55 0.00 0.00 70.33 69.31 1v95 n THR 68 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1v95 h GLN 69 N 0.00 -0.54 0.12 1.09 4.20 -1.99 -0.84 115.11 117.15 1v95 h GLN 69 Ca -0.00 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1v95 h GLN 69 Cb 0.02 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1v95 h GLN 69 CO 0.01 -0.36 -0.41 0.37 -0.67 0.00 0.00 178.83 177.76 1v95 h GLN 70 N -0.56 -0.59 -1.05 1.46 4.15 -1.97 0.02 115.11 116.57 1v95 h GLN 70 Ca -0.05 0.04 0.42 0.00 0.77 0.00 0.00 58.65 59.83 1v95 h GLN 70 Cb 0.46 0.13 -0.16 0.00 0.21 0.00 0.00 27.48 28.12 1v95 h GLN 70 CO 0.03 -0.39 0.60 0.72 -1.93 0.00 0.00 178.83 177.85 1v95 n HIS 71 N -4.81 1.01 0.44 3.99 8.25 -1.22 0.84 115.22 123.72 1v95 n HIS 71 Ca -0.07 1.02 -0.19 0.00 -0.26 0.00 0.00 57.72 58.22 1v95 n HIS 71 Cb 0.33 -1.43 -0.09 0.00 1.12 0.00 0.00 29.99 29.91 1v95 n HIS 71 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1v95 h GLN 72 N 0.00 -1.07 0.01 -0.41 4.15 0.51 1.42 115.11 119.72 1v95 h GLN 72 Ca 0.82 0.07 0.00 0.00 0.77 0.00 0.00 58.65 60.31 1v95 h GLN 72 Cb 2.30 0.24 -0.00 0.00 0.21 0.00 0.00 27.48 30.23 1v95 h GLN 72 CO -0.67 -0.71 -0.02 0.82 -1.93 0.00 0.00 178.83 176.32 1v95 h ILE 73 N -1.11 0.00 0.00 2.39 2.04 0.10 0.10 117.51 121.03 1v95 h ILE 73 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1v95 h ILE 73 Cb 0.85 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1v95 h ILE 73 CO 0.19 0.00 0.20 0.45 0.00 0.00 0.00 178.15 178.98 1v95 h HIS 74 N -0.03 0.00 -1.61 1.37 3.86 -1.31 -3.44 115.15 113.99 1v95 h HIS 74 Ca -0.00 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.89 1v95 h HIS 74 Cb 0.03 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 1v95 h HIS 74 CO -0.30 0.00 -0.36 0.54 0.86 0.00 0.00 177.93 178.67 1v95 n ARG 75 N -2.95 -1.18 -4.57 2.45 1.74 0.46 -4.96 116.66 107.64 1v95 n ARG 75 Ca -0.02 0.88 -0.27 0.00 -0.77 0.00 0.00 57.85 57.67 1v95 n ARG 75 Cb 0.25 -5.16 -0.14 0.00 -1.02 0.00 0.00 32.46 26.39 1v95 n ARG 75 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1v95 s SER 76 N -2.52 2.83 0.42 0.55 0.01 0.70 -3.89 113.70 111.79 1v95 s SER 76 Ca 0.00 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.67 1v95 s SER 76 Cb 0.00 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 1v95 s SER 76 CO 0.00 0.16 0.06 0.00 0.41 0.00 0.00 173.24 173.88 1v95 s THR 78 N -3.08 3.71 -0.39 0.00 2.01 -1.17 -2.99 115.64 113.73 1v95 s THR 78 Ca 0.24 -0.47 -0.21 0.00 0.31 0.00 0.00 61.69 61.56 1v95 s THR 78 Cb 0.05 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 69.82 1v95 s THR 78 CO 0.12 0.33 0.68 -0.69 -0.69 0.00 0.00 174.62 174.37 1v95 s VAL 79 N 1.51 4.82 -0.15 3.82 1.01 0.45 -1.52 120.40 130.34 1v95 s VAL 79 Ca 0.05 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 1v95 s VAL 79 Cb -0.15 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1v95 s VAL 79 CO -0.00 -0.44 -0.09 0.20 0.00 0.00 0.00 175.10 174.76 1v95 s ASN 80 N 1.89 4.26 0.06 3.32 0.01 -0.06 -0.81 114.94 123.61 1v95 s ASN 80 Ca 0.26 -0.29 -0.10 0.00 -0.71 0.00 0.00 52.86 52.02 1v95 s ASN 80 Cb -0.14 -1.68 -0.06 0.00 0.41 0.00 0.00 41.25 39.79 1v95 s ASN 80 CO 0.17 0.13 0.39 -0.63 -1.51 0.00 0.00 177.10 175.66 1v95 s ILE 81 N 0.55 5.10 -0.09 0.60 1.01 -0.73 -0.22 121.20 127.41 1v95 s ILE 81 Ca -0.06 0.49 0.12 0.00 0.00 0.00 0.00 60.65 61.21 1v95 s ILE 81 Cb -0.15 -3.65 -0.18 0.00 0.01 0.00 0.00 42.46 38.49 1v95 s ILE 81 CO 0.03 0.33 0.13 0.23 0.00 0.00 0.00 174.94 175.66 1v95 n MET 82 N 1.05 1.42 -3.34 2.79 2.81 0.52 -4.34 117.12 118.02 1v95 n MET 82 Ca -0.09 -0.04 -0.32 0.00 -1.81 0.00 0.00 57.70 55.43 1v95 n MET 82 Cb 0.52 -1.33 -0.06 0.00 -0.71 0.00 0.00 33.22 31.65 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 -2.52 3.42 0.00 2.03 -0.12 -1.25 -4.94 117.98 114.60 1v95 s PHE 83 Ca -0.06 0.98 0.00 0.00 -0.05 0.00 0.00 56.93 57.80 1v95 s PHE 83 Cb 0.05 -2.34 0.00 0.00 -0.63 0.00 0.00 43.02 40.11 1v95 s PHE 83 CO 0.55 0.23 0.00 0.41 -0.05 0.00 0.00 175.22 176.36 1v95 n GLY 84 N -0.14 0.00 3.39 1.99 0.00 -1.26 -4.74 105.19 104.44 1v95 n GLY 84 Ca 0.01 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.95 1.36 -2.31 2.61 -1.04 -1.26 -4.79 114.28 107.90 1v95 n THR 85 Ca 0.00 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.11 1v95 n THR 85 Cb 0.00 -0.34 -0.03 0.00 -1.82 0.00 0.00 70.33 68.14 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 -1.39 3.04 -0.22 -2.82 0.04 -1.26 -4.87 135.00 127.51 1v95 s PRO 86 Ca 0.62 0.31 -0.04 0.00 0.04 0.00 0.00 61.00 61.93 1v95 s PRO 86 Cb -0.60 -4.23 -0.01 0.00 0.04 0.00 0.00 34.50 29.69 1v95 s PRO 86 CO 0.60 -2.27 -0.03 -0.65 0.04 0.00 0.00 177.00 174.68 1v95 s GLN 87 N 6.11 3.41 -0.24 4.56 -1.52 -1.26 -5.04 119.66 125.67 1v95 s GLN 87 Ca 0.53 -0.61 -0.01 0.00 -1.95 0.00 0.00 55.36 53.31 1v95 s GLN 87 Cb -0.11 -3.04 0.02 0.00 -0.22 0.00 0.00 33.01 29.67 1v95 s GLN 87 CO 0.21 -0.19 -0.08 -2.00 -0.25 0.00 0.00 175.29 172.98 1v95 s GLU 88 N 1.47 2.89 -0.29 2.91 2.12 -1.26 -1.78 118.70 124.77 1v95 s GLU 88 Ca 0.06 -0.93 0.00 0.00 0.36 0.00 0.00 54.97 54.45 1v95 s GLU 88 Cb -0.14 -2.94 0.06 0.00 0.26 0.00 0.00 34.13 31.37 1v95 s GLU 88 CO -0.02 -0.36 -0.03 -1.01 -0.54 0.00 0.00 175.26 173.29 1v95 s HIS 89 N 1.33 3.29 0.36 5.30 3.76 0.01 -5.01 115.29 124.33 1v95 s HIS 89 Ca 0.01 -2.08 0.09 0.00 -0.15 0.00 0.00 55.06 52.93 1v95 s HIS 89 Cb -0.16 -2.10 -0.06 0.00 1.11 0.00 0.00 32.58 31.36 1v95 s HIS 89 CO -0.05 -0.84 -0.00 -0.98 -0.85 0.00 0.00 174.74 172.01 1v95 s ARG 90 N 1.19 1.99 -1.18 1.40 1.70 -1.26 0.17 118.95 122.95 1v95 s ARG 90 Ca -0.06 -1.90 0.00 0.00 -0.47 0.00 0.00 55.73 53.30 1v95 s ARG 90 Cb -0.20 -1.80 0.00 0.00 -0.57 0.00 0.00 34.95 32.38 1v95 s ARG 90 CO -0.03 0.07 0.00 -1.71 -1.08 0.00 0.00 175.30 172.55 1v95 n ASN 91 N -0.94 -5.16 -4.73 -2.89 2.85 -1.25 -4.95 115.26 98.19 1v95 n ASN 91 Ca -0.04 0.28 -0.40 0.00 -0.11 0.00 0.00 54.58 54.30 1v95 n ASN 91 Cb 0.64 -3.64 -0.05 0.00 1.24 0.00 0.00 39.78 37.98 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 -2.81 4.57 0.40 1.20 -1.94 -1.16 -4.94 119.30 114.61 1v95 s MET 92 Ca 0.00 1.22 -0.24 0.00 -1.71 0.00 0.00 55.69 54.96 1v95 s MET 92 Cb 0.00 -3.39 -0.09 0.00 2.01 0.00 0.00 34.83 33.36 1v95 s MET 92 CO 0.00 0.20 1.06 -1.25 -0.01 0.00 0.00 175.02 175.02 1v95 s PRO 93 N 0.16 4.18 0.00 2.03 0.04 -1.26 -2.47 135.00 137.67 1v95 s PRO 93 Ca 0.43 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1v95 s PRO 93 Cb -0.21 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1v95 s PRO 93 CO 0.25 -0.14 0.82 1.04 0.04 0.00 0.00 177.00 179.02 1v95 n GLN 94 N -0.03 0.00 0.00 4.56 6.02 -1.25 0.11 117.38 126.80 1v95 n GLN 94 Ca 0.05 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 1v95 n GLN 94 Cb 0.49 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.50 1v95 n GLN 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1v95 n ALA 95 N -2.66 0.00 -0.34 -1.58 0.00 -1.26 0.15 120.51 114.82 1v95 n ALA 95 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1v95 n ALA 95 Cb 0.00 0.40 0.18 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.74 -0.48 0.00 5.19 -1.71 1.57 116.42 120.25 1v95 h ASP 96 Ca 0.00 0.28 0.05 0.00 -0.62 0.00 0.00 57.03 56.74 1v95 h ASP 96 Cb 0.00 0.55 -0.05 0.00 0.18 0.00 0.00 39.33 40.02 1v95 h ASP 96 CO 0.00 -0.33 0.22 0.00 -3.12 0.00 0.00 179.24 176.01 1v95 h ALA 97 N 1.96 0.61 0.00 3.45 0.00 0.71 0.80 119.26 126.79 1v95 h ALA 97 Ca 0.51 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1v95 h ALA 97 Cb 0.88 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1v95 h ALA 97 CO -0.96 -0.15 -0.04 0.52 0.00 0.00 0.00 179.25 178.62 1v95 h MET 98 N 0.43 0.00 0.03 0.00 2.86 1.15 0.17 114.93 119.57 1v95 h MET 98 Ca 0.22 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.68 1v95 h MET 98 Cb 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1v95 h MET 98 CO -0.18 0.04 -0.96 -0.24 1.06 0.00 0.00 176.91 176.62 1v95 h VAL 99 N 0.00 1.18 -0.00 -2.22 3.04 0.21 -0.62 116.25 117.83 1v95 h VAL 99 Ca -0.00 -2.28 0.00 0.00 -1.01 0.00 0.00 66.70 63.41 1v95 h VAL 99 Cb 0.13 2.66 -0.00 0.00 -2.01 0.00 0.00 31.29 32.07 1v95 h VAL 99 CO 0.00 0.49 0.00 0.25 -1.01 0.00 0.00 177.57 177.31 1v95 h LEU 100 N -0.82 0.00 0.01 3.16 6.46 0.89 0.36 115.31 125.37 1v95 h LEU 100 Ca -0.24 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.38 1v95 h LEU 100 Cb 1.34 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.25 1v95 h LEU 100 CO -0.09 0.00 -0.73 1.62 -0.62 0.00 0.00 178.44 178.63 1v95 h VAL 101 N 0.00 1.30 -0.29 1.05 3.04 -0.78 -1.59 116.25 118.98 1v95 h VAL 101 Ca 0.00 -2.27 0.09 0.00 -1.01 0.00 0.00 66.70 63.51 1v95 h VAL 101 Cb 0.00 2.76 -0.01 0.00 -2.01 0.00 0.00 31.29 32.03 1v95 h VAL 101 CO -0.00 0.46 0.25 0.00 -1.01 0.00 0.00 177.57 177.27 1v95 h ALA 102 N -0.25 2.11 -0.74 3.17 0.00 -0.63 0.27 119.26 123.18 1v95 h ALA 102 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1v95 h ALA 102 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1v95 h ALA 102 CO -0.10 -0.40 0.00 0.54 0.00 0.00 0.00 179.25 179.28 1v95 n ARG 103 N -4.12 0.00 -0.33 0.00 5.12 0.12 -3.61 116.66 113.83 1v95 n ARG 103 Ca 0.04 0.28 0.13 0.00 -1.93 0.00 0.00 57.85 56.37 1v95 n ARG 103 Cb 0.41 -0.74 0.26 0.00 -1.16 0.00 0.00 32.46 31.23 1v95 n ARG 103 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1v95 n ASN 104 N -1.79 -0.14 -0.09 0.55 3.02 -0.60 0.15 115.26 116.36 1v95 n ASN 104 Ca 0.00 1.63 -0.14 0.00 -0.03 0.00 0.00 54.58 56.04 1v95 n ASN 104 Cb 0.00 -0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.49 1v95 n ASN 104 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1v95 h TYR 105 N 0.00 -1.64 -0.98 3.10 3.20 -0.64 1.63 116.97 121.63 1v95 h TYR 105 Ca 0.57 0.07 0.09 0.00 3.14 0.00 0.00 58.73 62.60 1v95 h TYR 105 Cb 1.14 0.76 -0.07 0.00 1.54 0.00 0.00 36.73 40.09 1v95 h TYR 105 CO -0.52 -0.50 0.63 0.93 -1.64 0.00 0.00 178.16 177.06 1v95 h GLU 106 N -0.45 1.03 0.66 1.82 4.39 -0.36 -2.55 114.58 119.11 1v95 h GLU 106 Ca 0.06 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1v95 h GLU 106 Cb 0.61 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1v95 h GLU 106 CO -0.53 0.68 -0.32 0.00 -1.16 0.00 0.00 179.01 177.69 1v95 h ARG 107 N 1.06 -0.85 -1.85 2.33 3.08 0.67 -1.73 114.38 117.09 1v95 h ARG 107 Ca 0.45 0.06 0.54 0.00 0.07 0.00 0.00 59.98 61.09 1v95 h ARG 107 Cb 0.32 0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.48 1v95 h ARG 107 CO -0.20 -0.53 1.34 -0.92 -1.07 0.00 0.00 179.97 178.58 1v95 h TYR 108 N -1.13 0.00 0.10 3.04 3.20 0.26 1.48 116.97 123.92 1v95 h TYR 108 Ca -0.09 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.65 1v95 h TYR 108 Cb 0.71 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.00 1v95 h TYR 108 CO 0.00 0.00 -0.59 0.87 -1.64 0.00 0.00 178.16 176.80 1v95 h LYS 109 N 0.00 0.22 -1.33 1.82 1.57 -1.18 -1.17 116.57 116.51 1v95 h LYS 109 Ca 0.88 -0.37 0.40 0.00 -1.87 0.00 0.00 60.65 59.68 1v95 h LYS 109 Cb 3.54 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 35.89 1v95 h LYS 109 CO -0.01 1.17 0.90 -0.91 -0.57 0.00 0.00 179.45 180.03 1v95 h ASN 110 N -0.53 0.20 0.44 0.86 2.35 0.30 1.49 115.58 120.69 1v95 h ASN 110 Ca -0.10 0.07 -0.20 0.00 -0.55 0.00 0.00 56.30 55.52 1v95 h ASN 110 Cb 1.45 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.84 1v95 h ASN 110 CO 0.11 -0.06 -1.73 -0.62 -1.65 0.00 0.00 177.43 173.49 1v95 n GLU 111 N -4.45 0.64 0.00 0.81 -0.58 -0.85 -3.90 120.64 112.30 1v95 n GLU 111 Ca 0.33 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1v95 n GLU 111 Cb 1.36 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 30.52 1v95 n GLU 111 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1v95 n ARG 113 N -1.96 -0.12 -1.73 0.00 0.63 0.32 -3.51 116.66 110.29 1v95 n ARG 113 Ca 0.00 1.51 -0.18 0.00 -0.92 0.00 0.00 57.85 58.26 1v95 n ARG 113 Cb 0.00 -2.25 -0.07 0.00 0.45 0.00 0.00 32.46 30.59 1v95 n ARG 113 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1v95 s GLU 114 N -6.16 1.88 -0.72 -0.14 -6.30 -1.19 -4.87 118.70 101.20 1v95 s GLU 114 Ca -0.14 0.15 -0.26 0.00 -2.50 0.00 0.00 54.97 52.21 1v95 s GLU 114 Cb 0.25 -4.89 0.04 0.00 0.00 0.00 0.00 34.13 29.52 1v95 s GLU 114 CO 0.74 -4.19 1.20 0.21 0.02 0.00 0.00 175.26 173.25 1v95 s LYS 115 N 8.23 3.17 0.33 4.30 2.47 -1.23 -4.76 119.74 132.26 1v95 s LYS 115 Ca 0.84 -0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.86 1v95 s LYS 115 Cb -0.10 -4.20 0.00 0.00 -1.46 0.00 0.00 37.83 32.07 1v95 s LYS 115 CO 0.06 -2.07 0.00 -1.91 0.16 0.00 0.00 175.35 171.59 1v95 n GLU 116 N 8.96 -2.73 -2.21 4.03 2.13 -1.26 -5.01 120.64 124.55 1v95 n GLU 116 Ca 0.02 2.06 0.00 0.00 0.66 0.00 0.00 57.16 59.89 1v95 n GLU 116 Cb 0.48 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.82 1v95 n GLU 116 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1v95 n ARG 117 N -1.21 -5.16 -0.90 5.31 5.12 -1.26 -4.91 116.66 113.65 1v95 n ARG 117 Ca 0.00 3.73 -0.36 0.00 -1.93 0.00 0.00 57.85 59.29 1v95 n ARG 117 Cb 0.06 -4.43 0.08 0.00 -1.16 0.00 0.00 32.46 27.01 1v95 n ARG 117 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1v95 n GLU 118 N 1.79 -0.42 -1.68 5.56 2.13 -1.26 -4.90 120.64 121.86 1v95 n GLU 118 Ca 0.00 -0.11 -0.21 0.00 0.66 0.00 0.00 57.16 57.50 1v95 n GLU 118 Cb 0.00 -1.25 0.06 0.00 0.27 0.00 0.00 31.44 30.52 1v95 n GLU 118 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1v95 n GLU 119 N 1.00 3.14 -1.67 5.31 4.07 -1.26 -5.04 120.64 126.18 1v95 n GLU 119 Ca -0.01 -3.89 -0.65 0.00 -0.06 0.00 0.00 57.16 52.56 1v95 n GLU 119 Cb 0.67 -2.17 -0.10 0.00 -0.06 0.00 0.00 31.44 29.78 1v95 n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1v95 n ILE 120 N -0.82 0.06 -2.81 6.31 5.41 -1.26 -4.85 119.36 121.40 1v95 n ILE 120 Ca 0.43 -0.02 -0.02 0.00 1.00 0.00 0.00 62.75 64.14 1v95 n ILE 120 Cb 0.91 -0.66 0.01 0.00 -0.71 0.00 0.00 39.64 39.19 1v95 n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1v95 s ALA 121 N 3.63 -3.36 -0.21 -1.39 0.00 -1.26 -5.15 121.76 114.02 1v95 s ALA 121 Ca 1.06 0.34 -0.26 0.00 0.00 0.00 0.00 51.96 53.10 1v95 s ALA 121 Cb -1.41 -2.86 0.07 0.00 0.00 0.00 0.00 23.12 18.92 1v95 s ALA 121 CO 0.76 -2.38 0.70 -0.98 0.00 0.00 0.00 175.76 173.86 1v95 s ARG 122 N 1.28 0.89 0.09 0.00 1.04 -1.26 -5.17 118.95 115.81 1v95 s ARG 122 Ca 0.23 0.78 0.08 0.00 -1.04 0.00 0.00 55.73 55.78 1v95 s ARG 122 Cb 0.04 0.43 -0.04 0.00 -2.04 0.00 0.00 34.95 33.34 1v95 s ARG 122 CO -0.09 -0.16 -0.18 -0.65 -0.04 0.00 0.00 175.30 174.18 1v95 s GLN 123 N -0.06 1.90 -0.05 3.89 -0.21 -1.26 -5.11 119.66 118.76 1v95 s GLN 123 Ca -0.03 -1.10 -0.21 0.00 0.02 0.00 0.00 55.36 54.04 1v95 s GLN 123 Cb -0.04 -2.14 -0.05 0.00 1.00 0.00 0.00 33.01 31.78 1v95 s GLN 123 CO 0.03 0.50 0.60 0.00 -2.12 0.00 0.00 175.29 174.31 1v95 s ALA 124 N -1.06 3.44 -0.22 6.09 0.00 -1.26 -5.05 121.76 123.71 1v95 s ALA 124 Ca 0.17 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 1v95 s ALA 124 Cb -0.11 -2.79 0.10 0.00 0.00 0.00 0.00 23.12 20.33 1v95 s ALA 124 CO 0.08 0.05 0.46 -1.12 0.00 0.00 0.00 175.76 175.23 1v95 s SER 125 N 0.30 -0.40 0.00 0.00 0.01 -1.26 -5.14 113.70 107.20 1v95 s SER 125 Ca 0.32 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.64 1v95 s SER 125 Cb -0.17 1.52 0.00 0.00 0.21 0.00 0.00 66.02 67.57 1v95 s SER 125 CO 0.16 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1v95 n GLY 126 N 5.40 3.59 3.79 3.44 0.00 -1.26 -5.15 105.19 114.99 1v95 n GLY 126 Ca -0.09 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.93 4.00 0.01 1.61 0.04 -1.26 -5.06 135.00 133.41 1v95 s PRO 127 Ca 0.00 1.45 0.05 0.00 0.04 0.00 0.00 61.00 62.54 1v95 s PRO 127 Cb 0.00 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1v95 s PRO 127 CO 0.00 -0.28 -0.14 -1.12 0.04 0.00 0.00 177.00 175.50 1v95 s SER 128 N -1.74 1.66 -0.54 6.66 0.01 -1.26 -5.09 113.70 113.39 1v95 s SER 128 Ca 0.62 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 57.59 1v95 s SER 128 Cb -0.20 -0.15 0.16 0.00 0.21 0.00 0.00 66.02 66.04 1v95 s SER 128 CO 0.24 0.12 0.38 -0.55 0.41 0.00 0.00 173.24 173.84 1v95 s SER 129 N -0.63 3.36 0.00 2.44 0.15 -1.26 -5.35 113.70 112.41 1v95 s SER 129 Ca 0.04 -3.29 0.00 0.00 0.70 0.00 0.00 55.95 53.40 1v95 s SER 129 Cb -0.06 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.17 1v95 s SER 129 CO 0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89