#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4a s SER 2 N 0.00 -0.84 -0.56 1.61 0.01 -1.26 -5.10 113.70 107.57 1x4a s SER 2 Ca 0.00 -0.81 -0.40 0.00 1.31 0.00 0.00 55.95 56.05 1x4a s SER 2 Cb 0.00 1.61 -0.18 0.00 0.21 0.00 0.00 66.02 67.66 1x4a s SER 2 CO 0.00 -0.22 2.24 -1.54 0.41 0.00 0.00 173.24 174.13 1x4a n SER 3 N 4.57 0.91 0.00 2.44 3.41 -1.26 -4.85 113.62 118.84 1x4a n SER 3 Ca 0.10 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1x4a n SER 3 Cb 0.54 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1x4a n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4a n GLY 4 N 7.17 1.50 3.63 5.00 0.00 -1.26 -5.05 105.19 116.19 1x4a n GLY 4 Ca 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.56 1x4a n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4a s SER 5 N -1.00 -0.09 0.15 1.61 0.01 -1.26 -4.94 113.70 108.18 1x4a s SER 5 Ca 0.00 -0.15 -0.14 0.00 1.31 0.00 0.00 55.95 56.97 1x4a s SER 5 Cb 0.00 0.20 -0.07 0.00 0.21 0.00 0.00 66.02 66.36 1x4a s SER 5 CO 0.00 -0.37 0.56 -0.55 0.41 0.00 0.00 173.24 173.28 1x4a s SER 6 N -2.85 6.83 0.00 2.44 0.15 -1.26 -4.97 113.70 114.04 1x4a s SER 6 Ca 0.13 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.87 1x4a s SER 6 Cb 0.03 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1x4a s SER 6 CO -0.03 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1x4a n GLY 7 N 0.79 1.01 2.95 9.45 0.00 -1.26 -4.65 105.19 113.48 1x4a n GLY 7 Ca -0.05 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.11 1x4a n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4a n MET 8 N 0.00 -2.35 -3.92 1.61 2.81 -1.26 -5.04 117.12 108.97 1x4a n MET 8 Ca 0.00 2.03 -0.10 0.00 -1.81 0.00 0.00 57.70 57.82 1x4a n MET 8 Cb 0.00 -4.07 -0.10 0.00 -0.71 0.00 0.00 33.22 28.34 1x4a n MET 8 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1x4a s SER 9 N -1.69 0.12 -0.29 7.83 0.01 -1.26 -5.14 113.70 113.28 1x4a s SER 9 Ca 0.10 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.06 1x4a s SER 9 Cb -0.02 0.16 0.18 0.00 0.21 0.00 0.00 66.02 66.55 1x4a s SER 9 CO 0.62 -0.33 0.53 -0.83 0.41 0.00 0.00 173.24 173.64 1x4a s GLY 10 N -1.37 -0.93 0.00 3.44 0.00 -1.26 -5.13 107.32 102.07 1x4a s GLY 10 Ca -0.15 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1x4a s GLY 10 CO 0.00 3.33 0.00 0.61 0.00 0.00 0.00 173.10 177.05 1x4a n GLY 11 N 5.40 0.62 0.00 0.20 0.00 -1.26 -5.17 105.19 104.98 1x4a n GLY 11 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1x4a n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4a n GLY 12 N 5.00 1.92 2.70 -0.02 0.00 -1.26 -5.07 105.19 108.46 1x4a n GLY 12 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1x4a n GLY 12 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x4a n VAL 13 N -0.80 -0.01 -0.51 1.61 3.14 -1.26 -5.15 118.33 115.35 1x4a n VAL 13 Ca 0.00 -1.67 -0.30 0.00 -2.96 0.00 0.00 64.34 59.41 1x4a n VAL 13 Cb 0.00 1.39 0.27 0.00 -1.06 0.00 0.00 33.84 34.45 1x4a n VAL 13 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1x4a s ILE 14 N 0.12 1.51 0.14 1.55 -4.36 -1.26 -4.77 121.20 114.13 1x4a s ILE 14 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.62 1x4a s ILE 14 Cb 0.30 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.89 1x4a s ILE 14 CO -0.05 0.00 0.00 0.54 0.24 0.00 0.00 174.94 175.67 1x4a n ARG 15 N -5.31 -4.97 0.00 0.37 1.74 -1.26 -5.09 116.66 102.13 1x4a n ARG 15 Ca 0.09 3.59 0.00 0.00 -0.77 0.00 0.00 57.85 60.76 1x4a n ARG 15 Cb 0.58 -3.99 0.00 0.00 -1.02 0.00 0.00 32.46 28.03 1x4a n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x4a n GLY 16 N 1.71 -1.05 3.77 -0.13 0.00 -1.26 -5.15 105.19 103.07 1x4a n GLY 16 Ca 0.00 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 1x4a n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4a s PRO 17 N -2.00 4.36 0.27 1.61 0.04 -1.26 -5.05 135.00 132.97 1x4a s PRO 17 Ca 0.00 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 1x4a s PRO 17 Cb 0.00 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1x4a s PRO 17 CO 0.00 0.01 0.49 0.00 0.04 0.00 0.00 177.00 177.54 1x4a s ALA 18 N -1.45 3.71 0.00 8.56 0.00 -1.26 -5.01 121.76 126.31 1x4a s ALA 18 Ca 0.52 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1x4a s ALA 18 Cb -0.26 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1x4a s ALA 18 CO 0.33 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.76 1x4a n GLY 19 N -0.99 2.67 3.18 0.00 0.00 -1.26 -4.95 105.19 103.84 1x4a n GLY 19 Ca -0.03 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 1x4a n GLY 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x4a s ASN 20 N 0.00 5.75 -0.33 1.61 2.47 -1.26 -4.92 114.94 118.27 1x4a s ASN 20 Ca 0.00 -2.63 -0.05 0.00 0.42 0.00 0.00 52.86 50.59 1x4a s ASN 20 Cb 0.00 -1.98 0.19 0.00 -1.45 0.00 0.00 41.25 38.00 1x4a s ASN 20 CO 0.00 -0.49 0.93 0.21 -3.72 0.00 0.00 177.10 174.03 1x4a s ASN 21 N 1.47 -0.69 -0.17 -4.21 2.47 -1.26 -5.15 114.94 107.40 1x4a s ASN 21 Ca 0.15 -0.18 -0.10 0.00 0.42 0.00 0.00 52.86 53.15 1x4a s ASN 21 Cb -0.18 1.08 0.06 0.00 -1.45 0.00 0.00 41.25 40.75 1x4a s ASN 21 CO -0.05 -0.10 0.41 -0.62 -3.72 0.00 0.00 177.10 173.03 1x4a s ASP 22 N 2.30 -0.52 -0.41 -4.21 -1.08 -1.26 -5.03 116.67 106.47 1x4a s ASP 22 Ca 0.18 0.90 0.05 0.00 -0.52 0.00 0.00 52.55 53.16 1x4a s ASP 22 Cb -0.01 0.79 0.51 0.00 -1.46 0.00 0.00 42.92 42.75 1x4a s ASP 22 CO -0.17 -0.19 1.62 0.00 0.52 0.00 0.00 175.17 176.96 1x4a s ARG 24 N -3.48 2.34 -0.14 0.00 0.52 -1.26 -0.53 118.95 116.41 1x4a s ARG 24 Ca 0.53 -0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 55.08 1x4a s ARG 24 Cb 0.45 -2.24 -0.01 0.00 0.52 0.00 0.00 34.95 33.67 1x4a s ARG 24 CO 0.02 -0.27 -0.12 0.96 0.02 0.00 0.00 175.30 175.91 1x4a s ILE 25 N 1.44 3.12 -0.06 1.52 -4.36 -0.12 -4.51 121.20 118.23 1x4a s ILE 25 Ca 0.04 -0.63 -0.21 0.00 -0.26 0.00 0.00 60.65 59.59 1x4a s ILE 25 Cb -0.14 -2.33 -0.04 0.00 1.25 0.00 0.00 42.46 41.20 1x4a s ILE 25 CO -0.11 0.51 0.60 -0.47 0.24 0.00 0.00 174.94 175.72 1x4a s TYR 26 N 0.47 3.59 -0.14 1.37 6.14 -0.98 -0.82 117.35 126.99 1x4a s TYR 26 Ca -0.09 1.12 -0.02 0.00 0.64 0.00 0.00 57.07 58.72 1x4a s TYR 26 Cb -0.16 -2.67 -0.03 0.00 0.42 0.00 0.00 41.96 39.53 1x4a s TYR 26 CO 0.04 0.19 -0.05 0.08 0.64 0.00 0.00 175.55 176.45 1x4a s VAL 27 N 0.45 3.76 0.44 3.14 1.01 0.40 -1.42 120.40 128.17 1x4a s VAL 27 Ca 0.32 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1x4a s VAL 27 Cb -0.17 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1x4a s VAL 27 CO 0.15 0.52 0.13 -0.83 0.00 0.00 0.00 175.10 175.07 1x4a s GLY 28 N 0.15 2.76 -1.14 4.51 0.00 0.14 -2.52 107.32 111.23 1x4a s GLY 28 Ca -0.02 -1.02 -0.12 0.00 0.00 0.00 0.00 44.72 43.56 1x4a s GLY 28 CO 0.03 -1.87 0.83 0.70 0.00 0.00 0.00 173.10 172.79 1x4a n ASN 29 N -1.44 -5.02 -4.74 1.64 3.02 -1.26 -0.39 115.26 107.07 1x4a n ASN 29 Ca -0.08 -0.86 -0.23 0.00 -0.03 0.00 0.00 54.58 53.38 1x4a n ASN 29 Cb 0.65 -4.20 -0.06 0.00 -0.61 0.00 0.00 39.78 35.56 1x4a n ASN 29 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x4a s LEU 30 N -6.11 3.55 0.82 3.41 1.43 -1.24 -3.70 118.68 116.83 1x4a s LEU 30 Ca 0.38 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 1x4a s LEU 30 Cb -0.10 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.11 1x4a s LEU 30 CO 0.81 0.00 1.10 -2.16 0.23 0.00 0.00 176.35 176.33 1x4a s PRO 31 N -3.61 1.93 0.27 1.29 0.04 -1.26 -4.26 135.00 129.39 1x4a s PRO 31 Ca 0.32 0.58 0.12 0.00 0.04 0.00 0.00 61.00 62.06 1x4a s PRO 31 Cb -0.08 -1.91 0.28 0.00 0.04 0.00 0.00 34.50 32.84 1x4a s PRO 31 CO 0.22 -1.71 1.55 -1.00 0.04 0.00 0.00 177.00 176.10 1x4a h PRO 32 N -1.15 0.00 -1.69 0.56 0.13 -1.96 -3.20 132.00 124.68 1x4a h PRO 32 Ca -0.48 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.94 1x4a h PRO 32 Cb 1.28 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.10 1x4a h PRO 32 CO 0.60 0.62 0.60 -3.47 -0.23 0.00 0.00 178.00 176.13 1x4a n ASP 33 N -3.56 6.90 -4.93 1.44 2.03 -1.26 -4.99 116.55 112.18 1x4a n ASP 33 Ca -0.00 -3.80 -0.26 0.00 0.52 0.00 0.00 54.79 51.24 1x4a n ASP 33 Cb 0.67 -0.90 -0.03 0.00 -0.72 0.00 0.00 41.12 40.14 1x4a n ASP 33 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1x4a s ILE 34 N -5.11 5.19 0.07 5.18 1.10 -1.21 -5.11 121.20 121.31 1x4a s ILE 34 Ca 0.53 -0.41 0.06 0.00 -0.51 0.00 0.00 60.65 60.32 1x4a s ILE 34 Cb 0.44 -3.76 -0.03 0.00 0.15 0.00 0.00 42.46 39.26 1x4a s ILE 34 CO -0.29 -0.25 -0.17 -0.13 -2.11 0.00 0.00 174.94 172.00 1x4a s ARG 35 N -3.53 0.98 0.61 3.50 1.81 -1.26 -5.01 118.95 116.04 1x4a s ARG 35 Ca 0.38 -0.97 0.39 0.00 -1.72 0.00 0.00 55.73 53.82 1x4a s ARG 35 Cb -0.11 -1.07 1.95 0.00 -0.45 0.00 0.00 34.95 35.27 1x4a s ARG 35 CO 0.30 0.25 2.19 1.15 -0.68 0.00 0.00 175.30 178.51 1x4a h THR 36 N 4.28 0.00 0.00 0.02 2.02 -1.99 -1.98 112.91 115.27 1x4a h THR 36 Ca -0.42 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 1x4a h THR 36 Cb 1.18 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1x4a h THR 36 CO 0.41 0.00 -0.07 0.50 0.37 0.00 0.00 175.52 176.73 1x4a h LYS 37 N 0.00 0.00 -1.03 6.66 1.63 -1.98 -2.26 116.57 119.59 1x4a h LYS 37 Ca 0.00 0.00 0.26 0.00 -0.85 0.00 0.00 60.65 60.06 1x4a h LYS 37 Cb 0.21 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 31.73 1x4a h LYS 37 CO 0.00 0.27 0.63 -0.44 -3.45 0.00 0.00 179.45 176.46 1x4a h ASP 38 N -1.00 0.57 0.34 4.20 5.19 -1.93 1.35 116.42 125.14 1x4a h ASP 38 Ca -0.01 0.12 -0.15 0.00 -0.62 0.00 0.00 57.03 56.37 1x4a h ASP 38 Cb 0.32 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 1x4a h ASP 38 CO -0.01 0.07 -0.62 0.40 -3.12 0.00 0.00 179.24 175.96 1x4a h ILE 39 N 0.48 1.39 0.37 0.35 2.04 -1.46 -3.00 117.51 117.68 1x4a h ILE 39 Ca 0.64 -2.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 1x4a h ILE 39 Cb 1.41 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1x4a h ILE 39 CO -0.41 0.60 -0.18 -0.08 0.00 0.00 0.00 178.15 178.08 1x4a h GLU 40 N 0.20 -0.48 -0.99 2.37 4.81 0.23 -2.86 114.58 117.87 1x4a h GLU 40 Ca -0.01 0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.47 1x4a h GLU 40 Cb 1.14 0.11 -0.19 0.00 0.63 0.00 0.00 28.75 30.44 1x4a h GLU 40 CO 0.10 -0.32 -0.20 0.22 -0.73 0.00 0.00 179.01 178.08 1x4a h ASP 41 N -0.56 -0.84 -0.25 1.04 1.82 -1.05 1.72 116.42 118.29 1x4a h ASP 41 Ca -0.05 0.29 0.03 0.00 -0.39 0.00 0.00 57.03 56.91 1x4a h ASP 41 Cb 0.38 0.59 -0.04 0.00 0.68 0.00 0.00 39.33 40.94 1x4a h ASP 41 CO 0.08 -0.33 -0.21 0.58 -1.61 0.00 0.00 179.24 177.75 1x4a h VAL 42 N 0.00 0.00 0.06 2.25 2.07 -1.45 0.32 116.25 119.50 1x4a h VAL 42 Ca 0.50 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.01 1x4a h VAL 42 Cb 0.82 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1x4a h VAL 42 CO -1.00 0.00 -0.03 -0.26 0.02 0.00 0.00 177.57 176.30 1x4a h PHE 43 N -0.08 -0.08 -1.28 1.57 0.04 -0.50 -2.83 116.94 113.79 1x4a h PHE 43 Ca 0.04 -0.00 0.37 0.00 2.80 0.00 0.00 57.97 61.18 1x4a h PHE 43 Cb 0.19 0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.32 1x4a h PHE 43 CO -0.79 0.26 1.15 -0.92 -0.60 0.00 0.00 178.31 177.41 1x4a h TYR 44 N -0.42 0.00 -0.06 -0.55 5.03 0.29 1.44 116.97 122.69 1x4a h TYR 44 Ca -0.01 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.32 1x4a h TYR 44 Cb 0.37 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.65 1x4a h TYR 44 CO 0.04 0.00 0.36 1.57 -1.32 0.00 0.00 178.16 178.81 1x4a h LYS 45 N 0.00 0.00 0.00 1.82 5.09 -0.11 -2.09 116.57 121.28 1x4a h LYS 45 Ca 0.61 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 61.13 1x4a h LYS 45 Cb 2.90 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 35.20 1x4a h LYS 45 CO -0.01 0.00 -1.53 0.66 -2.09 0.00 0.00 179.45 176.48 1x4a n TYR 46 N -3.01 0.36 -0.10 0.07 4.01 0.49 -5.09 117.16 113.90 1x4a n TYR 46 Ca -0.01 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1x4a n TYR 46 Cb 0.42 -0.85 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 1x4a n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x4a n GLY 47 N 1.40 5.25 3.35 2.72 0.00 -0.79 -5.14 105.19 111.99 1x4a n GLY 47 Ca -0.31 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 1x4a n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4a s ALA 48 N -1.78 2.18 0.01 4.61 0.00 -1.26 -4.27 121.76 121.24 1x4a s ALA 48 Ca 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 1x4a s ALA 48 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1x4a s ALA 48 CO 0.00 0.49 0.11 0.42 0.00 0.00 0.00 175.76 176.78 1x4a s ILE 49 N -1.03 4.91 -0.09 0.00 1.01 -1.26 -3.55 121.20 121.19 1x4a s ILE 49 Ca 0.11 -0.38 0.15 0.00 0.00 0.00 0.00 60.65 60.53 1x4a s ILE 49 Cb -0.10 -3.28 -0.20 0.00 0.01 0.00 0.00 42.46 38.89 1x4a s ILE 49 CO 0.05 0.31 0.64 -1.14 0.00 0.00 0.00 174.94 174.80 1x4a n ARG 50 N 1.01 0.64 0.00 2.79 0.63 0.38 -4.92 116.66 117.19 1x4a n ARG 50 Ca -0.12 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1x4a n ARG 50 Cb 0.52 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.68 1x4a n ARG 50 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1x4a n ASP 51 N -2.93 0.00 -3.95 6.15 -0.08 -1.22 -5.00 116.55 109.52 1x4a n ASP 51 Ca -0.16 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.85 1x4a n ASP 51 Cb 0.98 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 44.27 1x4a n ASP 51 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1x4a s ILE 52 N -2.00 1.14 -0.34 5.18 1.01 -1.26 -1.26 121.20 123.67 1x4a s ILE 52 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1x4a s ILE 52 Cb 0.00 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.37 1x4a s ILE 52 CO 0.00 0.38 0.16 -0.62 0.00 0.00 0.00 174.94 174.86 1x4a s ASP 53 N 1.41 5.56 -0.18 3.58 2.15 0.46 -4.92 116.67 124.72 1x4a s ASP 53 Ca 0.00 -0.78 -0.02 0.00 0.43 0.00 0.00 52.55 52.18 1x4a s ASP 53 Cb -0.13 -1.99 -0.01 0.00 -0.30 0.00 0.00 42.92 40.49 1x4a s ASP 53 CO -0.06 -0.28 -0.10 -0.22 -0.17 0.00 0.00 175.17 174.34 1x4a s LEU 54 N 1.56 2.71 -0.68 -1.34 2.96 -1.26 0.16 118.68 122.79 1x4a s LEU 54 Ca 0.03 -0.40 -0.18 0.00 -0.22 0.00 0.00 54.13 53.35 1x4a s LEU 54 Cb -0.18 -1.65 0.12 0.00 0.50 0.00 0.00 46.19 44.98 1x4a s LEU 54 CO 0.06 0.05 0.79 -0.54 -1.32 0.00 0.00 176.35 175.39 1x4a s LYS 55 N 1.02 3.22 0.02 1.98 1.02 -0.40 -4.99 119.74 121.61 1x4a s LYS 55 Ca -0.01 -1.55 -0.10 0.00 0.02 0.00 0.00 55.97 54.34 1x4a s LYS 55 Cb -0.15 -4.39 -0.05 0.00 -0.52 0.00 0.00 37.83 32.72 1x4a s LYS 55 CO -0.01 -1.55 0.34 0.54 -0.92 0.00 0.00 175.35 173.74 1x4a s ASN 56 N 3.42 6.61 -0.11 2.83 4.22 -1.26 -4.24 114.94 126.42 1x4a s ASN 56 Ca 0.16 0.73 -0.07 0.00 -2.14 0.00 0.00 52.86 51.54 1x4a s ASN 56 Cb -0.19 -2.16 0.03 0.00 1.28 0.00 0.00 41.25 40.21 1x4a s ASN 56 CO 0.02 0.25 0.15 -1.14 -2.04 0.00 0.00 177.10 174.33 1x4a n ARG 57 N 1.27 -3.01 0.05 3.55 0.00 -1.26 -5.02 116.66 112.23 1x4a n ARG 57 Ca -0.11 2.43 0.00 0.00 -0.00 0.00 0.00 57.85 60.17 1x4a n ARG 57 Cb 0.53 -3.57 0.00 0.00 0.00 0.00 0.00 32.46 29.41 1x4a n ARG 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1x4a n ARG 58 N 1.10 0.00 0.00 -0.14 3.00 -1.26 -5.17 116.66 114.19 1x4a n ARG 58 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.60 1x4a n ARG 58 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.84 1x4a n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x4a n GLY 59 N -1.26 -0.24 6.94 5.14 0.00 -1.26 -5.15 105.19 109.36 1x4a n GLY 59 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1x4a n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4a n GLY 60 N -0.55 0.67 3.82 -0.02 0.00 -1.26 -4.61 105.19 103.24 1x4a n GLY 60 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 1x4a n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4a s PRO 61 N 0.00 3.00 0.02 1.61 0.04 -1.26 -4.89 135.00 133.52 1x4a s PRO 61 Ca 0.00 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 1x4a s PRO 61 Cb 0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1x4a s PRO 61 CO 0.00 -1.05 1.19 -1.25 0.04 0.00 0.00 177.00 175.92 1x4a s PRO 62 N -4.92 4.41 0.19 0.56 0.04 -1.26 -4.94 135.00 129.08 1x4a s PRO 62 Ca 0.59 1.71 0.09 0.00 0.04 0.00 0.00 61.00 63.43 1x4a s PRO 62 Cb -0.14 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1x4a s PRO 62 CO 0.53 -0.31 -0.19 -0.59 0.04 0.00 0.00 177.00 176.48 1x4a s PHE 63 N 1.45 1.95 0.18 0.56 -0.71 -1.26 -3.73 117.98 116.42 1x4a s PHE 63 Ca 0.57 -0.45 -0.20 0.00 -1.04 0.00 0.00 56.93 55.82 1x4a s PHE 63 Cb -0.27 -0.94 0.05 0.00 -1.21 0.00 0.00 43.02 40.64 1x4a s PHE 63 CO 0.27 0.42 0.55 0.00 -1.34 0.00 0.00 175.22 175.12 1x4a s ALA 64 N -2.20 -1.24 0.06 1.99 0.00 -1.05 -1.28 121.76 118.04 1x4a s ALA 64 Ca 0.20 0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.34 1x4a s ALA 64 Cb -0.05 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1x4a s ALA 64 CO 0.08 -0.78 -0.21 -0.06 0.00 0.00 0.00 175.76 174.79 1x4a s PHE 65 N -3.81 2.46 -0.11 0.00 0.40 0.42 -0.45 117.98 116.89 1x4a s PHE 65 Ca 0.05 -0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.09 1x4a s PHE 65 Cb -0.01 -1.40 -0.00 0.00 0.51 0.00 0.00 43.02 42.11 1x4a s PHE 65 CO -0.08 0.25 -0.21 0.08 0.70 0.00 0.00 175.22 175.96 1x4a s VAL 66 N -0.94 2.37 -0.35 -0.44 1.01 0.00 -0.41 120.40 121.65 1x4a s VAL 66 Ca 0.14 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 1x4a s VAL 66 Cb -0.10 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.37 1x4a s VAL 66 CO 0.05 0.55 0.14 -0.70 0.00 0.00 0.00 175.10 175.14 1x4a s GLU 67 N 0.36 2.72 0.41 2.72 2.12 -0.39 -0.94 118.70 125.69 1x4a s GLU 67 Ca -0.16 -1.13 -0.07 0.00 0.36 0.00 0.00 54.97 53.96 1x4a s GLU 67 Cb -0.17 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 1x4a s GLU 67 CO 0.08 -0.67 0.74 -0.06 -0.54 0.00 0.00 175.26 174.80 1x4a s PHE 68 N 1.46 3.51 -0.26 5.30 0.40 0.31 0.14 117.98 128.85 1x4a s PHE 68 Ca -0.00 0.88 0.28 0.00 -0.60 0.00 0.00 56.93 57.49 1x4a s PHE 68 Cb -0.19 -2.32 1.00 0.00 0.51 0.00 0.00 43.02 42.01 1x4a s PHE 68 CO 0.04 -0.12 1.82 0.93 0.70 0.00 0.00 175.22 178.59 1x4a h GLU 69 N 0.94 0.00 -3.34 0.44 4.39 -1.88 -3.45 114.58 111.69 1x4a h GLU 69 Ca -0.47 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.10 1x4a h GLU 69 Cb 1.19 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.65 1x4a h GLU 69 CO 0.63 0.00 -0.38 -0.51 -1.16 0.00 0.00 179.01 177.59 1x4a s ASP 70 N -5.28 -0.06 0.07 1.42 1.11 -1.26 -5.06 116.67 107.61 1x4a s ASP 70 Ca 0.04 -0.13 -0.15 0.00 0.18 0.00 0.00 52.55 52.49 1x4a s ASP 70 Cb 0.09 0.27 -0.21 0.00 1.07 0.00 0.00 42.92 44.13 1x4a s ASP 70 CO 0.54 -0.45 1.21 1.55 1.18 0.00 0.00 175.17 179.20 1x4a h PRO 71 N 3.92 0.68 -0.78 8.23 0.13 -1.87 -1.86 132.00 140.45 1x4a h PRO 71 Ca -0.31 -0.66 0.18 0.00 -0.87 0.00 0.00 66.00 64.34 1x4a h PRO 71 Cb 1.19 0.17 -0.12 0.00 0.13 0.00 0.00 31.00 32.37 1x4a h PRO 71 CO 0.42 1.26 0.20 0.00 -0.23 0.00 0.00 178.00 179.65 1x4a h ARG 72 N 0.35 0.26 0.13 0.86 3.08 -1.97 0.27 114.38 117.37 1x4a h ARG 72 Ca -0.09 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1x4a h ARG 72 Cb 1.52 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1x4a h ARG 72 CO 0.17 0.17 -0.06 -0.44 -1.07 0.00 0.00 179.97 178.74 1x4a h ASP 73 N 0.27 -0.15 -1.19 7.04 5.19 -1.99 -2.17 116.42 123.42 1x4a h ASP 73 Ca 0.45 -0.36 0.44 0.00 -0.62 0.00 0.00 57.03 56.95 1x4a h ASP 73 Cb 0.81 0.04 -0.16 0.00 0.18 0.00 0.00 39.33 40.20 1x4a h ASP 73 CO -0.54 0.44 0.71 0.00 -3.12 0.00 0.00 179.24 176.73 1x4a h ALA 74 N -0.44 2.49 -0.02 3.45 0.00 -0.60 1.22 119.26 125.36 1x4a h ALA 74 Ca -0.02 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1x4a h ALA 74 Cb 0.50 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1x4a h ALA 74 CO 0.03 -1.22 -0.16 0.93 0.00 0.00 0.00 179.25 178.83 1x4a h GLU 75 N 0.02 0.14 -0.92 0.00 5.08 -0.50 -2.14 114.58 116.26 1x4a h GLU 75 Ca 0.86 -0.13 0.25 0.00 -1.00 0.00 0.00 59.36 59.34 1x4a h GLU 75 Cb 2.51 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 31.74 1x4a h GLU 75 CO -0.61 0.82 0.64 -0.44 -1.00 0.00 0.00 179.01 178.41 1x4a h ASP 76 N -0.49 0.18 0.19 1.42 3.32 0.20 1.39 116.42 122.64 1x4a h ASP 76 Ca -0.01 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1x4a h ASP 76 Cb 0.86 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1x4a h ASP 76 CO 0.03 0.06 -0.09 0.00 -1.72 0.00 0.00 179.24 177.52 1x4a h ALA 77 N 1.57 -0.36 -0.84 3.45 0.00 -0.66 -3.16 119.26 119.27 1x4a h ALA 77 Ca 0.46 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.54 1x4a h ALA 77 Cb 1.53 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 1x4a h ALA 77 CO -0.09 -0.34 0.58 -0.24 0.00 0.00 0.00 179.25 179.16 1x4a h VAL 78 N -0.73 0.63 0.00 0.00 3.04 -0.65 1.57 116.25 120.11 1x4a h VAL 78 Ca -0.03 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1x4a h VAL 78 Cb 0.20 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 1x4a h VAL 78 CO 0.04 0.03 0.00 -1.22 -1.01 0.00 0.00 177.57 175.41 1x4a n TYR 79 N -4.38 0.27 0.02 3.17 4.02 0.47 -2.58 117.16 118.15 1x4a n TYR 79 Ca 0.17 0.12 0.00 0.00 -0.01 0.00 0.00 57.90 58.18 1x4a n TYR 79 Cb 0.80 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 1x4a n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x4a n GLY 80 N -0.49 -0.02 0.69 2.72 0.00 0.45 -4.75 105.19 103.79 1x4a n GLY 80 Ca 0.02 0.00 0.49 0.00 0.00 0.00 0.00 46.02 46.53 1x4a n GLY 80 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x4a h ARG 81 N 0.00 0.00 -5.90 1.61 2.47 0.81 -3.35 114.38 110.02 1x4a h ARG 81 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 1x4a h ARG 81 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1x4a h ARG 81 CO 0.00 0.00 1.45 0.34 0.56 0.00 0.00 179.97 182.32 1x4a s ASP 82 N -3.79 5.09 0.00 7.04 -1.08 -1.07 -1.43 116.67 121.44 1x4a s ASP 82 Ca -0.05 0.86 0.00 0.00 -0.52 0.00 0.00 52.55 52.84 1x4a s ASP 82 Cb 0.25 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 1x4a s ASP 82 CO 0.82 -2.42 0.00 0.61 0.52 0.00 0.00 175.17 174.70 1x4a n GLY 83 N 5.77 1.77 3.85 2.66 0.00 -1.22 -4.87 105.19 113.14 1x4a n GLY 83 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 1x4a n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x4a s TYR 84 N -2.00 3.60 -0.67 1.61 5.04 -0.51 -4.85 117.35 119.57 1x4a s TYR 84 Ca 0.00 1.04 -0.13 0.00 -2.44 0.00 0.00 57.07 55.55 1x4a s TYR 84 Cb 0.00 -2.36 0.17 0.00 0.35 0.00 0.00 41.96 40.12 1x4a s TYR 84 CO 0.00 0.43 0.59 0.16 -1.34 0.00 0.00 175.55 175.39 1x4a s ASP 85 N -1.72 6.26 -0.65 4.32 1.47 -1.26 0.12 116.67 125.20 1x4a s ASP 85 Ca 0.38 -2.33 -0.22 0.00 1.18 0.00 0.00 52.55 51.55 1x4a s ASP 85 Cb -0.15 -2.14 0.07 0.00 -0.34 0.00 0.00 42.92 40.36 1x4a s ASP 85 CO 0.19 -0.65 0.95 -0.47 0.68 0.00 0.00 175.17 175.87 1x4a s TYR 86 N 0.74 2.69 -1.87 2.11 6.14 0.13 -3.98 117.35 123.31 1x4a s TYR 86 Ca 0.12 -0.56 0.00 0.00 0.64 0.00 0.00 57.07 57.27 1x4a s TYR 86 Cb -0.20 -4.28 0.00 0.00 0.42 0.00 0.00 41.96 37.91 1x4a s TYR 86 CO -0.04 -1.63 0.00 -3.47 0.64 0.00 0.00 175.55 171.05 1x4a n ASP 87 N 7.65 -5.65 0.00 4.32 -0.08 -1.26 -0.81 116.55 120.72 1x4a n ASP 87 Ca -0.04 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1x4a n ASP 87 Cb 0.45 -4.76 0.00 0.00 2.34 0.00 0.00 41.12 39.15 1x4a n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4a n GLY 88 N -0.84 2.36 3.60 0.27 0.00 -1.26 -5.03 105.19 104.29 1x4a n GLY 88 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1x4a n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x4a s TYR 89 N -2.50 2.27 -0.54 1.61 2.02 0.01 -4.92 117.35 115.30 1x4a s TYR 89 Ca 0.00 0.65 -0.27 0.00 -0.37 0.00 0.00 57.07 57.08 1x4a s TYR 89 Cb 0.00 -4.28 -0.00 0.00 -0.40 0.00 0.00 41.96 37.27 1x4a s TYR 89 CO 0.00 -2.17 1.61 0.50 -1.57 0.00 0.00 175.55 173.92 1x4a s ARG 90 N 5.14 3.10 0.95 -0.62 3.52 -1.26 0.19 118.95 129.97 1x4a s ARG 90 Ca 0.64 0.64 -0.12 0.00 -0.13 0.00 0.00 55.73 56.76 1x4a s ARG 90 Cb -0.15 -4.22 0.16 0.00 -1.56 0.00 0.00 34.95 29.18 1x4a s ARG 90 CO 0.32 -2.17 1.10 -0.51 -0.81 0.00 0.00 175.30 173.23 1x4a s LEU 91 N 7.09 1.89 -0.30 -0.88 1.43 0.32 -4.75 118.68 123.48 1x4a s LEU 91 Ca 0.61 1.27 -0.04 0.00 -1.03 0.00 0.00 54.13 54.94 1x4a s LEU 91 Cb -0.13 -3.56 0.10 0.00 0.03 0.00 0.00 46.19 42.63 1x4a s LEU 91 CO 0.25 -2.87 0.13 -0.13 0.23 0.00 0.00 176.35 173.96 1x4a s ARG 92 N -4.99 0.26 -0.22 1.70 0.52 0.48 -3.43 118.95 113.26 1x4a s ARG 92 Ca 0.64 -0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 55.13 1x4a s ARG 92 Cb -0.18 -1.24 -0.05 0.00 0.52 0.00 0.00 34.95 34.00 1x4a s ARG 92 CO 0.57 -1.03 0.16 0.08 0.02 0.00 0.00 175.30 175.10 1x4a s VAL 93 N 2.00 5.37 -0.10 3.52 1.01 -1.26 0.25 120.40 131.19 1x4a s VAL 93 Ca 0.10 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1x4a s VAL 93 Cb -0.16 -3.50 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1x4a s VAL 93 CO -0.34 0.38 0.68 -1.83 0.00 0.00 0.00 175.10 173.99 1x4a s GLU 94 N 0.82 1.01 0.56 2.72 -1.05 -0.51 -4.53 118.70 117.71 1x4a s GLU 94 Ca 0.08 0.42 -0.19 0.00 -0.15 0.00 0.00 54.97 55.13 1x4a s GLU 94 Cb -0.13 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 33.99 1x4a s GLU 94 CO 0.02 -0.28 1.15 -0.06 0.95 0.00 0.00 175.26 177.04 1x4a s PHE 95 N -0.85 2.60 -1.19 4.83 0.08 -1.26 -2.32 117.98 119.87 1x4a s PHE 95 Ca -0.09 1.54 -0.20 0.00 0.12 0.00 0.00 56.93 58.31 1x4a s PHE 95 Cb -0.01 -3.33 -0.03 0.00 -0.57 0.00 0.00 43.02 39.08 1x4a s PHE 95 CO 0.08 -1.73 1.92 -0.35 -0.10 0.00 0.00 175.22 175.04 1x4a n PRO 96 N -1.40 2.32 -1.91 0.24 -0.04 -1.26 -4.66 135.00 128.29 1x4a n PRO 96 Ca 0.12 -2.64 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 1x4a n PRO 96 Cb 0.51 -3.43 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 1x4a n PRO 96 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x4a n ARG 97 N 7.71 -5.19 -3.48 0.54 0.63 -1.26 -5.01 116.66 110.60 1x4a n ARG 97 Ca 0.48 3.71 -0.25 0.00 -0.92 0.00 0.00 57.85 60.87 1x4a n ARG 97 Cb 0.44 -4.01 -0.13 0.00 0.45 0.00 0.00 32.46 29.22 1x4a n ARG 97 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1x4a s SER 98 N -1.02 2.82 0.27 6.15 0.01 -1.26 -5.13 113.70 115.53 1x4a s SER 98 Ca 0.00 -1.34 -0.22 0.00 1.31 0.00 0.00 55.95 55.70 1x4a s SER 98 Cb 0.00 -0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.06 1x4a s SER 98 CO 0.00 -0.39 0.81 -0.83 0.41 0.00 0.00 173.24 173.24 1x4a s GLY 99 N 1.93 2.66 -0.52 3.44 0.00 -1.26 -5.03 107.32 108.54 1x4a s GLY 99 Ca 0.11 0.29 -0.17 0.00 0.00 0.00 0.00 44.72 44.95 1x4a s GLY 99 CO -0.27 0.67 0.53 -1.60 0.00 0.00 0.00 173.10 172.44 1x4a s ARG 100 N -2.10 3.03 -0.47 2.90 3.52 -1.26 -4.90 118.95 119.67 1x4a s ARG 100 Ca 0.47 -1.29 0.06 0.00 -0.13 0.00 0.00 55.73 54.84 1x4a s ARG 100 Cb -0.17 -4.18 0.22 0.00 -1.56 0.00 0.00 34.95 29.26 1x4a s ARG 100 CO 0.21 -1.23 0.73 0.41 -0.81 0.00 0.00 175.30 174.61 1x4a n GLY 101 N 5.22 0.58 0.02 8.12 0.00 -1.26 -4.95 105.19 112.92 1x4a n GLY 101 Ca -0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 1x4a n GLY 101 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x4a n THR 102 N 2.06 0.32 0.00 2.61 5.66 -1.26 -4.88 114.28 118.78 1x4a n THR 102 Ca 0.16 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1x4a n THR 102 Cb 0.58 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 1x4a n THR 102 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x4a n GLY 103 N 2.30 -0.46 3.14 1.09 0.00 -1.26 -5.03 105.19 104.97 1x4a n GLY 103 Ca -0.08 -1.77 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 1x4a n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4a s SER 104 N -1.78 1.46 0.28 1.61 0.01 -1.26 -5.16 113.70 108.85 1x4a s SER 104 Ca 0.00 -0.58 0.06 0.00 1.31 0.00 0.00 55.95 56.73 1x4a s SER 104 Cb 0.00 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1x4a s SER 104 CO 0.00 -0.10 0.38 -0.83 0.41 0.00 0.00 173.24 173.10 1x4a s GLY 105 N -1.65 1.40 -0.05 3.44 0.00 -1.26 -5.04 107.32 104.16 1x4a s GLY 105 Ca -0.04 -1.36 -0.25 0.00 0.00 0.00 0.00 44.72 43.08 1x4a s GLY 105 CO 0.02 -1.34 1.05 -0.56 0.00 0.00 0.00 173.10 172.27 1x4a h PRO 106 N 1.11 0.14 -2.34 2.90 0.13 -2.07 -3.48 132.00 128.39 1x4a h PRO 106 Ca -0.49 -0.14 0.10 0.00 -0.87 0.00 0.00 66.00 64.60 1x4a h PRO 106 Cb 1.24 0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 1x4a h PRO 106 CO 0.58 0.85 0.47 -1.54 -0.23 0.00 0.00 178.00 178.13 1x4a s SER 107 N -6.20 -0.38 -0.31 1.44 1.04 -1.26 -5.14 113.70 102.89 1x4a s SER 107 Ca -0.16 0.00 0.06 0.00 0.48 0.00 0.00 55.95 56.33 1x4a s SER 107 Cb 0.01 0.40 0.20 0.00 0.10 0.00 0.00 66.02 66.73 1x4a s SER 107 CO 0.73 -0.65 0.61 -0.55 0.98 0.00 0.00 173.24 174.36 1x4a s SER 108 N -2.49 -1.58 0.00 7.02 0.15 -1.26 -5.28 113.70 110.25 1x4a s SER 108 Ca 0.05 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1x4a s SER 108 Cb -0.01 2.00 0.00 0.00 -1.71 0.00 0.00 66.02 66.30 1x4a s SER 108 CO -0.09 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.68