#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 -0.58 -0.10 1.61 0.15 -1.26 -5.17 113.70 108.34 1x4a s SER 2 Ca 0.00 0.37 -0.33 0.00 0.70 0.00 0.00 55.95 56.69 1x4a s SER 2 Cb 0.00 1.49 0.13 0.00 -1.71 0.00 0.00 66.02 65.93 1x4a s SER 2 CO 0.00 -0.11 1.27 -0.55 1.20 0.00 0.00 173.24 175.05 1x4a s SER 3 N 2.94 -0.08 -0.41 5.45 0.15 -1.26 -5.10 113.70 115.38 1x4a s SER 3 Ca 0.02 -0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.65 1x4a s SER 3 Cb -0.11 0.14 0.31 0.00 -1.71 0.00 0.00 66.02 64.65 1x4a s SER 3 CO -0.12 -0.25 1.19 0.61 1.20 0.00 0.00 173.24 175.87 1x4a n GLY 4 N -0.31 -0.29 1.19 9.45 0.00 -1.26 -5.14 105.19 108.83 1x4a n GLY 4 Ca -0.04 0.37 0.15 0.00 0.00 0.00 0.00 46.02 46.49 1x4a n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4a n SER 5 N 0.65 -6.76 -0.08 1.61 2.88 -1.26 -4.83 113.62 105.84 1x4a n SER 5 Ca 0.02 1.04 -0.09 0.00 -1.33 0.00 0.00 58.87 58.52 1x4a n SER 5 Cb 0.71 -3.98 -0.05 0.00 -0.75 0.00 0.00 64.21 60.15 1x4a n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x4a h SER 6 N -1.16 0.00 0.00 -3.46 0.02 -2.06 -3.51 113.55 103.39 1x4a h SER 6 Ca -0.12 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1x4a h SER 6 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1x4a h SER 6 CO 0.05 0.94 0.00 0.61 -1.14 0.00 0.00 176.83 177.29 1x4a n GLY 7 N 1.59 3.09 3.18 -3.77 0.00 -1.26 -5.16 105.19 102.85 1x4a n GLY 7 Ca -0.13 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 1x4a n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x4a s MET 8 N -5.48 0.77 0.13 1.61 1.00 -1.26 -5.18 119.30 110.89 1x4a s MET 8 Ca 0.00 -0.95 -0.15 0.00 0.00 0.00 0.00 55.69 54.59 1x4a s MET 8 Cb 0.00 0.31 0.03 0.00 0.00 0.00 0.00 34.83 35.16 1x4a s MET 8 CO 0.00 -0.23 0.37 0.45 0.00 0.00 0.00 175.02 175.62 1x4a s SER 9 N -2.74 -0.16 -0.14 3.03 0.15 -1.26 -5.18 113.70 107.40 1x4a s SER 9 Ca 0.04 -0.41 -0.34 0.00 0.70 0.00 0.00 55.95 55.93 1x4a s SER 9 Cb 0.04 0.46 0.15 0.00 -1.71 0.00 0.00 66.02 64.96 1x4a s SER 9 CO -0.10 -0.85 1.39 -0.83 1.20 0.00 0.00 173.24 174.05 1x4a s GLY 10 N -2.83 -0.40 0.00 9.45 0.00 -1.26 -5.19 107.32 107.10 1x4a s GLY 10 Ca 0.05 1.20 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1x4a s GLY 10 CO -0.10 0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.91 1x4a n GLY 11 N -0.35 -0.86 0.00 0.20 0.00 -1.26 -5.15 105.19 97.77 1x4a n GLY 11 Ca -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 4.42 2.54 -0.02 0.00 -1.26 -5.00 105.19 105.87 1x4a n GLY 12 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1x4a n GLY 12 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x4a n VAL 13 N 0.00 3.54 -1.10 1.61 0.24 -1.26 -4.49 118.33 116.87 1x4a n VAL 13 Ca 0.00 -3.29 -0.21 0.00 -2.04 0.00 0.00 64.34 58.80 1x4a n VAL 13 Cb 0.00 -1.59 0.19 0.00 -1.47 0.00 0.00 33.84 30.97 1x4a n VAL 13 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1x4a n ILE 14 N 0.77 3.07 -4.25 1.34 -5.35 -1.26 -4.91 119.36 108.77 1x4a n ILE 14 Ca 0.50 -1.79 -0.20 0.00 -0.27 0.00 0.00 62.75 60.99 1x4a n ILE 14 Cb 0.49 -0.48 -0.12 0.00 -1.74 0.00 0.00 39.64 37.79 1x4a n ILE 14 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1x4a s ARG 15 N -3.11 1.03 0.00 6.28 0.52 -1.26 -5.15 118.95 117.26 1x4a s ARG 15 Ca 0.54 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 1x4a s ARG 15 Cb 0.45 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.86 1x4a s ARG 15 CO 0.11 0.22 0.00 0.41 0.02 0.00 0.00 175.30 176.06 1x4a n GLY 16 N 0.81 -2.73 3.77 -3.53 0.00 -1.26 -5.00 105.19 97.24 1x4a n GLY 16 Ca -0.17 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 -0.19 0.29 1.61 0.04 -1.26 -5.08 135.00 130.41 1x4a s PRO 17 Ca 0.00 -0.21 0.06 0.00 0.04 0.00 0.00 61.00 60.89 1x4a s PRO 17 Cb 0.00 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 1x4a s PRO 17 CO 0.00 -3.00 0.35 0.00 0.04 0.00 0.00 177.00 174.39 1x4a s ALA 18 N -3.45 3.95 0.80 8.56 0.00 -1.26 -5.12 121.76 125.24 1x4a s ALA 18 Ca 0.72 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1x4a s ALA 18 Cb -0.07 -1.54 0.10 0.00 0.00 0.00 0.00 23.12 21.60 1x4a s ALA 18 CO 0.54 0.12 1.14 0.20 0.00 0.00 0.00 175.76 177.77 1x4a s GLY 19 N -4.02 1.66 0.00 0.00 0.00 -1.26 -4.91 107.32 98.79 1x4a s GLY 19 Ca 0.38 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1x4a s GLY 19 CO 0.28 -0.36 0.00 0.70 0.00 0.00 0.00 173.10 173.72 1x4a n ASN 20 N -3.25 0.00 -4.42 1.64 3.02 -1.26 -5.13 115.26 105.86 1x4a n ASN 20 Ca 0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.34 1x4a n ASN 20 Cb 0.61 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.64 1x4a n ASN 20 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1x4a s ASN 21 N 0.00 3.57 -0.37 6.41 -0.87 -1.26 -5.10 114.94 117.33 1x4a s ASN 21 Ca 0.00 -0.50 0.01 0.00 -1.57 0.00 0.00 52.86 50.80 1x4a s ASN 21 Cb 0.00 -0.48 0.10 0.00 -0.02 0.00 0.00 41.25 40.85 1x4a s ASN 21 CO 0.00 0.25 0.11 -1.81 -2.57 0.00 0.00 177.10 173.08 1x4a s ASP 22 N -1.43 4.97 -0.02 -1.22 1.01 -1.26 -4.86 116.67 113.87 1x4a s ASP 22 Ca 0.14 -2.10 0.13 0.00 0.71 0.00 0.00 52.55 51.43 1x4a s ASP 22 Cb -0.10 -1.71 -0.19 0.00 1.01 0.00 0.00 42.92 41.92 1x4a s ASP 22 CO 0.04 -0.45 0.31 0.00 0.21 0.00 0.00 175.17 175.29 1x4a s ARG 24 N -2.79 3.62 0.17 0.00 1.70 -1.26 -1.72 118.95 118.67 1x4a s ARG 24 Ca -0.03 -0.28 0.08 0.00 -0.47 0.00 0.00 55.73 55.03 1x4a s ARG 24 Cb 0.08 -3.14 -0.04 0.00 -0.57 0.00 0.00 34.95 31.28 1x4a s ARG 24 CO 0.53 0.53 -0.16 0.96 -1.08 0.00 0.00 175.30 176.07 1x4a s ILE 25 N -0.34 1.72 -0.13 4.99 -4.36 -0.37 -4.45 121.20 118.26 1x4a s ILE 25 Ca 0.09 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.50 1x4a s ILE 25 Cb -0.12 -1.86 -0.02 0.00 1.25 0.00 0.00 42.46 41.71 1x4a s ILE 25 CO 0.02 -0.42 -0.11 -0.47 0.24 0.00 0.00 174.94 174.20 1x4a s TYR 26 N -2.36 2.86 -0.16 1.37 6.14 0.35 -1.24 117.35 124.31 1x4a s TYR 26 Ca 0.17 -0.49 0.00 0.00 0.64 0.00 0.00 57.07 57.39 1x4a s TYR 26 Cb -0.04 -1.84 -0.00 0.00 0.42 0.00 0.00 41.96 40.49 1x4a s TYR 26 CO 0.06 -0.11 -0.15 0.08 0.64 0.00 0.00 175.55 176.07 1x4a s VAL 27 N 0.20 2.67 0.30 3.14 1.01 -0.45 -1.17 120.40 126.10 1x4a s VAL 27 Ca -0.07 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1x4a s VAL 27 Cb -0.15 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1x4a s VAL 27 CO 0.04 0.51 0.06 0.61 0.00 0.00 0.00 175.10 176.33 1x4a n GLY 28 N 4.07 3.62 2.42 4.51 0.00 0.83 -2.47 105.19 118.17 1x4a n GLY 28 Ca -0.19 -2.15 -0.20 0.00 0.00 0.00 0.00 46.02 43.48 1x4a n GLY 28 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x4a n ASN 29 N -1.52 -5.74 -4.85 1.61 4.13 -1.26 -1.17 115.26 106.46 1x4a n ASN 29 Ca -0.08 0.07 -0.31 0.00 1.68 0.00 0.00 54.58 55.94 1x4a n ASN 29 Cb 0.42 -4.80 0.01 0.00 -1.54 0.00 0.00 39.78 33.87 1x4a n ASN 29 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x4a s LEU 30 N -5.65 3.30 0.86 3.41 1.43 -1.24 -4.37 118.68 116.43 1x4a s LEU 30 Ca 0.00 1.53 -0.12 0.00 -1.03 0.00 0.00 54.13 54.51 1x4a s LEU 30 Cb 0.00 -4.49 0.11 0.00 0.03 0.00 0.00 46.19 41.84 1x4a s LEU 30 CO 0.00 -0.99 1.12 -2.16 0.23 0.00 0.00 176.35 174.55 1x4a s PRO 31 N -4.85 1.57 0.23 1.29 0.04 -1.26 -4.23 135.00 127.79 1x4a s PRO 31 Ca 0.57 0.45 0.10 0.00 0.04 0.00 0.00 61.00 62.15 1x4a s PRO 31 Cb -0.12 -1.88 0.17 0.00 0.04 0.00 0.00 34.50 32.72 1x4a s PRO 31 CO 0.49 -1.93 1.50 -1.00 0.04 0.00 0.00 177.00 176.09 1x4a h PRO 32 N -1.31 0.00 -1.82 0.56 0.13 -1.97 -3.22 132.00 124.37 1x4a h PRO 32 Ca -0.49 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.92 1x4a h PRO 32 Cb 1.30 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.13 1x4a h PRO 32 CO 0.61 0.74 0.66 -0.25 -0.23 0.00 0.00 178.00 179.53 1x4a n ASP 33 N -3.63 6.94 -4.94 1.44 8.00 -1.26 -4.99 116.55 118.10 1x4a n ASP 33 Ca -0.01 -3.81 -0.25 0.00 0.71 0.00 0.00 54.79 51.43 1x4a n ASP 33 Cb 0.72 -0.93 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1x4a n ASP 33 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1x4a s ILE 34 N -5.15 5.24 0.11 0.53 1.10 -1.22 -5.12 121.20 116.69 1x4a s ILE 34 Ca 0.52 -0.60 0.06 0.00 -0.51 0.00 0.00 60.65 60.12 1x4a s ILE 34 Cb 0.44 -3.78 -0.03 0.00 0.15 0.00 0.00 42.46 39.23 1x4a s ILE 34 CO -0.34 -0.23 -0.15 -0.13 -2.11 0.00 0.00 174.94 171.98 1x4a s ARG 35 N -3.56 0.99 0.55 3.50 1.81 -1.26 -5.02 118.95 115.96 1x4a s ARG 35 Ca 0.37 -1.16 0.32 0.00 -1.72 0.00 0.00 55.73 53.54 1x4a s ARG 35 Cb -0.10 -0.95 1.60 0.00 -0.45 0.00 0.00 34.95 35.04 1x4a s ARG 35 CO 0.30 0.20 2.10 1.15 -0.68 0.00 0.00 175.30 178.37 1x4a h THR 36 N 3.79 0.34 0.00 0.02 2.02 -1.99 -1.90 112.91 115.19 1x4a h THR 36 Ca -0.41 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 1x4a h THR 36 Cb 1.19 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1x4a h THR 36 CO 0.46 0.07 -0.08 0.50 0.37 0.00 0.00 175.52 176.85 1x4a h LYS 37 N 0.00 0.00 -1.01 6.66 1.63 -1.98 -2.60 116.57 119.27 1x4a h LYS 37 Ca -0.00 0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.03 1x4a h LYS 37 Cb 0.32 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 31.84 1x4a h LYS 37 CO 0.01 0.60 0.61 -0.44 -3.45 0.00 0.00 179.45 176.78 1x4a h ASP 38 N -1.00 0.66 0.66 4.20 5.19 -1.93 1.52 116.42 125.72 1x4a h ASP 38 Ca -0.02 0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 56.40 1x4a h ASP 38 Cb 0.63 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 1x4a h ASP 38 CO -0.01 0.14 -0.51 0.40 -3.12 0.00 0.00 179.24 176.14 1x4a h ILE 39 N 0.59 1.24 0.08 0.35 2.04 -1.44 -2.59 117.51 117.78 1x4a h ILE 39 Ca 0.62 -1.82 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 1x4a h ILE 39 Cb 1.19 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1x4a h ILE 39 CO -0.42 0.50 -0.04 -0.08 0.00 0.00 0.00 178.15 178.11 1x4a h GLU 40 N 0.00 -0.10 -0.99 2.37 4.81 0.24 -2.94 114.58 117.98 1x4a h GLU 40 Ca -0.01 0.01 0.34 0.00 -0.13 0.00 0.00 59.36 59.58 1x4a h GLU 40 Cb 0.98 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.21 1x4a h GLU 40 CO 0.07 -0.06 0.46 0.22 -0.73 0.00 0.00 179.01 178.96 1x4a h ASP 41 N -0.19 0.28 0.01 1.04 1.82 -0.80 1.48 116.42 120.05 1x4a h ASP 41 Ca -0.01 0.23 0.01 0.00 -0.39 0.00 0.00 57.03 56.87 1x4a h ASP 41 Cb 0.08 0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 1x4a h ASP 41 CO 0.02 -0.28 -0.23 0.58 -1.61 0.00 0.00 179.24 177.72 1x4a h VAL 42 N 0.15 0.00 -0.50 2.25 2.07 -1.50 -2.09 116.25 116.64 1x4a h VAL 42 Ca 0.74 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 68.17 1x4a h VAL 42 Cb 1.78 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1x4a h VAL 42 CO -0.71 0.00 -0.08 -0.26 0.02 0.00 0.00 177.57 176.54 1x4a h PHE 43 N -0.29 1.00 -0.64 1.57 -1.00 -0.57 -2.65 116.94 114.36 1x4a h PHE 43 Ca 0.00 -0.18 0.18 0.00 2.81 0.00 0.00 57.97 60.78 1x4a h PHE 43 Cb 0.31 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 1x4a h PHE 43 CO -0.42 0.94 0.86 -0.92 -1.61 0.00 0.00 178.31 177.16 1x4a h TYR 44 N 0.82 0.00 0.00 -0.55 5.03 0.24 1.04 116.97 123.55 1x4a h TYR 44 Ca 0.14 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1x4a h TYR 44 Cb 0.60 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.88 1x4a h TYR 44 CO 0.04 0.00 0.24 1.57 -1.32 0.00 0.00 178.16 178.68 1x4a h LYS 45 N 0.00 0.00 0.00 1.82 5.09 -1.01 -2.35 116.57 120.12 1x4a h LYS 45 Ca 0.30 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.88 1x4a h LYS 45 Cb 2.02 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 34.32 1x4a h LYS 45 CO -0.00 0.00 -1.30 0.66 -2.09 0.00 0.00 179.45 176.72 1x4a n TYR 46 N -2.86 0.47 0.00 0.07 4.01 0.36 -5.09 117.16 114.12 1x4a n TYR 46 Ca -0.02 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1x4a n TYR 46 Cb 0.29 -0.82 0.00 0.00 -0.31 0.00 0.00 39.34 38.49 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 1.45 4.12 3.39 2.72 0.00 -0.88 -5.09 105.19 110.89 1x4a n GLY 47 Ca -0.26 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.55 2.16 0.05 4.61 0.00 -1.26 -4.41 121.76 121.36 1x4a s ALA 48 Ca 0.00 -1.79 0.07 0.00 0.00 0.00 0.00 51.96 50.24 1x4a s ALA 48 Cb 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1x4a s ALA 48 CO 0.00 -0.03 -0.16 0.42 0.00 0.00 0.00 175.76 175.99 1x4a s ILE 49 N -3.03 2.94 -0.15 0.00 1.01 -1.26 -3.96 121.20 116.76 1x4a s ILE 49 Ca 0.26 -1.16 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 1x4a s ILE 49 Cb 0.02 -2.26 -0.24 0.00 0.01 0.00 0.00 42.46 39.98 1x4a s ILE 49 CO 0.09 0.31 0.26 -1.14 0.00 0.00 0.00 174.94 174.46 1x4a n ARG 50 N 1.44 0.74 -3.57 2.79 0.63 0.49 -4.90 116.66 114.29 1x4a n ARG 50 Ca -0.16 0.24 -0.09 0.00 -0.92 0.00 0.00 57.85 56.92 1x4a n ARG 50 Cb 0.52 -1.67 -0.04 0.00 0.45 0.00 0.00 32.46 31.72 1x4a n ARG 50 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1x4a s ASP 51 N -6.95 -0.34 -0.03 6.15 2.15 -1.20 -5.01 116.67 111.44 1x4a s ASP 51 Ca -0.25 0.27 0.03 0.00 0.43 0.00 0.00 52.55 53.04 1x4a s ASP 51 Cb 0.07 0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.99 1x4a s ASP 51 CO 0.74 -0.38 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.61 1x4a s ILE 52 N -1.61 1.04 -0.21 4.11 1.01 -1.26 -1.27 121.20 123.01 1x4a s ILE 52 Ca 0.01 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1x4a s ILE 52 Cb -0.01 -0.91 0.04 0.00 0.01 0.00 0.00 42.46 41.59 1x4a s ILE 52 CO -0.01 0.31 -0.11 -1.81 0.00 0.00 0.00 174.94 173.32 1x4a s ASP 53 N 0.18 3.53 -0.18 3.58 1.11 -0.37 -4.95 116.67 119.57 1x4a s ASP 53 Ca -0.04 -0.95 -0.01 0.00 0.18 0.00 0.00 52.55 51.73 1x4a s ASP 53 Cb -0.10 -1.28 -0.00 0.00 1.07 0.00 0.00 42.92 42.60 1x4a s ASP 53 CO 0.01 -0.15 -0.13 -0.22 1.18 0.00 0.00 175.17 175.87 1x4a s LEU 54 N 1.35 2.57 -1.33 1.23 2.96 -1.26 0.96 118.68 125.17 1x4a s LEU 54 Ca -0.02 -0.46 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1x4a s LEU 54 Cb -0.17 -1.61 0.12 0.00 0.50 0.00 0.00 46.19 45.04 1x4a s LEU 54 CO -0.08 0.05 2.25 0.29 -1.32 0.00 0.00 176.35 177.53 1x4a n LYS 55 N 4.31 4.22 0.00 1.98 4.01 -0.33 -4.81 118.16 127.55 1x4a n LYS 55 Ca -0.19 -3.41 0.00 0.00 -0.51 0.00 0.00 58.31 54.20 1x4a n LYS 55 Cb 0.51 -2.74 0.00 0.00 -0.51 0.00 0.00 35.03 32.29 1x4a n LYS 55 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1x4a n ASN 56 N 2.55 0.00 -4.53 4.39 2.85 -1.26 -3.99 115.26 115.26 1x4a n ASN 56 Ca 0.56 0.91 -0.41 0.00 -0.11 0.00 0.00 54.58 55.53 1x4a n ASN 56 Cb 0.28 -0.41 -0.05 0.00 1.24 0.00 0.00 39.78 40.84 1x4a n ASN 56 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1x4a n ARG 57 N -2.50 1.11 0.00 1.20 0.63 -1.26 -4.78 116.66 111.06 1x4a n ARG 57 Ca 0.00 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1x4a n ARG 57 Cb 0.00 -2.99 0.00 0.00 0.45 0.00 0.00 32.46 29.92 1x4a n ARG 57 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1x4a n ARG 58 N 8.75 0.00 -0.04 -0.14 0.00 -1.26 -5.15 116.66 118.83 1x4a n ARG 58 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.25 1x4a n ARG 58 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.87 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 -0.28 -0.53 6.30 5.14 0.00 -1.26 -4.95 105.19 109.62 1x4a n GLY 59 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 5.00 0.60 3.81 -0.02 0.00 -1.26 -4.58 105.19 108.74 1x4a n GLY 60 Ca 0.00 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 3.40 -0.03 1.61 0.04 -1.26 -4.99 135.00 133.77 1x4a s PRO 61 Ca 0.00 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1x4a s PRO 61 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1x4a s PRO 61 CO 0.00 -0.74 1.21 -1.25 0.04 0.00 0.00 177.00 176.26 1x4a s PRO 62 N -4.09 4.37 0.21 0.56 0.04 -1.26 -4.91 135.00 129.92 1x4a s PRO 62 Ca 0.63 1.71 0.11 0.00 0.04 0.00 0.00 61.00 63.49 1x4a s PRO 62 Cb -0.15 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1x4a s PRO 62 CO 0.36 -0.41 -0.21 -0.59 0.04 0.00 0.00 177.00 176.19 1x4a s PHE 63 N 1.99 2.36 0.19 0.56 -0.71 -1.26 -3.62 117.98 117.48 1x4a s PHE 63 Ca 0.57 -0.33 -0.20 0.00 -1.04 0.00 0.00 56.93 55.93 1x4a s PHE 63 Cb -0.26 -1.14 0.04 0.00 -1.21 0.00 0.00 43.02 40.45 1x4a s PHE 63 CO 0.24 0.54 0.57 0.00 -1.34 0.00 0.00 175.22 175.23 1x4a s ALA 64 N -1.81 -1.26 0.11 1.99 0.00 -1.03 -1.19 121.76 118.58 1x4a s ALA 64 Ca 0.23 0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.36 1x4a s ALA 64 Cb -0.08 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1x4a s ALA 64 CO 0.12 -0.81 -0.20 -0.06 0.00 0.00 0.00 175.76 174.80 1x4a s PHE 65 N -3.82 2.48 -0.09 0.00 0.40 0.27 -1.34 117.98 115.88 1x4a s PHE 65 Ca 0.05 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 1x4a s PHE 65 Cb -0.02 -1.33 0.01 0.00 0.51 0.00 0.00 43.02 42.20 1x4a s PHE 65 CO -0.06 0.36 -0.16 0.08 0.70 0.00 0.00 175.22 176.14 1x4a s VAL 66 N -1.11 1.49 -0.22 -0.44 1.01 -0.37 -1.23 120.40 119.53 1x4a s VAL 66 Ca 0.17 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1x4a s VAL 66 Cb -0.10 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1x4a s VAL 66 CO 0.09 0.44 0.00 -0.70 0.00 0.00 0.00 175.10 174.92 1x4a s GLU 67 N 0.77 3.53 0.44 2.72 2.56 -0.40 -1.24 118.70 127.08 1x4a s GLU 67 Ca -0.11 -0.55 0.02 0.00 0.00 0.00 0.00 54.97 54.32 1x4a s GLU 67 Cb -0.16 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 32.86 1x4a s GLU 67 CO 0.02 -0.13 0.65 -0.06 -0.56 0.00 0.00 175.26 175.18 1x4a s PHE 68 N 1.36 3.14 0.10 5.30 0.08 -0.70 0.19 117.98 127.44 1x4a s PHE 68 Ca 0.04 0.09 -0.04 0.00 0.12 0.00 0.00 56.93 57.15 1x4a s PHE 68 Cb -0.15 -2.32 -0.21 0.00 -0.57 0.00 0.00 43.02 39.77 1x4a s PHE 68 CO 0.00 -0.37 1.20 0.93 -0.10 0.00 0.00 175.22 176.88 1x4a h GLU 69 N 0.45 0.31 -5.93 0.44 4.39 -1.90 -3.43 114.58 108.91 1x4a h GLU 69 Ca -0.45 -0.45 -0.53 0.00 0.34 0.00 0.00 59.36 58.27 1x4a h GLU 69 Cb 1.26 0.15 -0.15 0.00 -0.10 0.00 0.00 28.75 29.92 1x4a h GLU 69 CO 0.55 1.17 -0.76 -0.51 -1.16 0.00 0.00 179.01 178.31 1x4a s ASP 70 N -7.12 3.04 -0.04 1.42 1.01 -1.26 -5.06 116.67 108.65 1x4a s ASP 70 Ca -0.04 -0.99 -0.24 0.00 0.71 0.00 0.00 52.55 51.98 1x4a s ASP 70 Cb 0.08 -0.21 -0.23 0.00 1.01 0.00 0.00 42.92 43.57 1x4a s ASP 70 CO 0.88 -0.05 1.06 1.55 0.21 0.00 0.00 175.17 178.82 1x4a h PRO 71 N 2.58 0.17 -0.69 8.23 0.13 -1.89 -2.66 132.00 137.86 1x4a h PRO 71 Ca -0.40 -0.16 0.08 0.00 -0.87 0.00 0.00 66.00 64.65 1x4a h PRO 71 Cb 1.23 0.04 -0.11 0.00 0.13 0.00 0.00 31.00 32.30 1x4a h PRO 71 CO 0.59 0.88 -0.53 0.00 -0.23 0.00 0.00 178.00 178.70 1x4a h ARG 72 N -0.48 -0.19 -0.34 0.86 3.08 -1.97 0.37 114.38 115.71 1x4a h ARG 72 Ca -0.02 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1x4a h ARG 72 Cb 0.94 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 1x4a h ARG 72 CO 0.04 -0.13 0.17 -0.44 -1.07 0.00 0.00 179.97 178.55 1x4a h ASP 73 N -0.20 0.25 -0.51 7.04 5.19 -1.97 0.49 116.42 126.72 1x4a h ASP 73 Ca 0.15 0.02 0.15 0.00 -0.62 0.00 0.00 57.03 56.72 1x4a h ASP 73 Cb 0.53 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1x4a h ASP 73 CO -0.76 0.19 0.54 0.00 -3.12 0.00 0.00 179.24 176.08 1x4a h ALA 74 N 1.18 2.25 0.00 3.45 0.00 -0.30 0.68 119.26 126.51 1x4a h ALA 74 Ca 0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1x4a h ALA 74 Cb 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1x4a h ALA 74 CO -0.10 -0.80 -0.83 0.93 0.00 0.00 0.00 179.25 178.45 1x4a h GLU 75 N 0.00 0.00 -0.86 0.00 4.39 0.21 -3.17 114.58 115.15 1x4a h GLU 75 Ca 0.24 0.00 0.25 0.00 0.34 0.00 0.00 59.36 60.19 1x4a h GLU 75 Cb 1.32 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.93 1x4a h GLU 75 CO -0.00 0.45 0.61 -0.44 -1.16 0.00 0.00 179.01 178.47 1x4a h ASP 76 N -1.00 0.02 0.38 1.42 3.32 0.81 1.47 116.42 122.84 1x4a h ASP 76 Ca -0.16 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1x4a h ASP 76 Cb 0.85 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1x4a h ASP 76 CO -0.09 0.01 -0.18 0.00 -1.72 0.00 0.00 179.24 177.25 1x4a h ALA 77 N 1.58 -0.67 -0.31 3.45 0.00 0.18 -2.98 119.26 120.51 1x4a h ALA 77 Ca 0.41 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1x4a h ALA 77 Cb 1.61 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1x4a h ALA 77 CO -0.02 -0.63 0.21 -0.24 0.00 0.00 0.00 179.25 178.57 1x4a h VAL 78 N -0.85 0.98 0.00 0.00 3.04 -1.23 0.53 116.25 118.71 1x4a h VAL 78 Ca -0.05 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1x4a h VAL 78 Cb 0.40 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1x4a h VAL 78 CO 0.09 0.04 0.00 -1.22 -1.01 0.00 0.00 177.57 175.47 1x4a n TYR 79 N -4.49 0.25 0.00 3.17 4.02 0.49 -2.16 117.16 118.45 1x4a n TYR 79 Ca 0.03 0.12 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1x4a n TYR 79 Cb 0.20 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 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 -0.90 0.07 0.70 2.72 0.00 0.94 -4.73 105.19 103.99 1x4a n GLY 80 Ca 0.01 0.00 0.52 0.00 0.00 0.00 0.00 46.02 46.55 1x4a n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4a n ARG 81 N -2.56 0.00 -1.74 1.61 5.12 0.15 -3.85 116.66 115.39 1x4a n ARG 81 Ca 0.00 1.07 -0.23 0.00 -1.93 0.00 0.00 57.85 56.76 1x4a n ARG 81 Cb 0.00 -2.47 -0.05 0.00 -1.16 0.00 0.00 32.46 28.77 1x4a n ARG 81 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1x4a s ASP 82 N -3.85 4.43 0.00 0.55 2.15 -0.92 0.18 116.67 119.21 1x4a s ASP 82 Ca -0.05 0.03 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1x4a s ASP 82 Cb 0.26 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1x4a s ASP 82 CO 0.87 -3.30 0.00 0.61 -0.17 0.00 0.00 175.17 173.18 1x4a n GLY 83 N 6.61 1.30 3.64 2.66 0.00 -1.22 -4.89 105.19 113.30 1x4a n GLY 83 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 1.83 -0.20 1.61 5.04 0.13 -4.78 117.35 118.97 1x4a s TYR 84 Ca 0.00 1.46 -0.00 0.00 -2.44 0.00 0.00 57.07 56.08 1x4a s TYR 84 Cb 0.00 -3.20 0.05 0.00 0.35 0.00 0.00 41.96 39.16 1x4a s TYR 84 CO 0.00 -2.89 -0.05 0.34 -1.34 0.00 0.00 175.55 171.61 1x4a s ASP 85 N -2.91 3.30 -0.06 4.32 2.15 -1.26 -1.31 116.67 120.90 1x4a s ASP 85 Ca 0.66 -0.90 0.01 0.00 0.43 0.00 0.00 52.55 52.74 1x4a s ASP 85 Cb -0.21 -1.02 0.02 0.00 -0.30 0.00 0.00 42.92 41.40 1x4a s ASP 85 CO 0.59 -0.21 -0.06 -0.47 -0.17 0.00 0.00 175.17 174.85 1x4a s TYR 86 N 1.53 0.99 -1.25 -5.34 5.04 -0.08 -4.72 117.35 113.52 1x4a s TYR 86 Ca -0.02 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 1x4a s TYR 86 Cb -0.17 -0.84 0.00 0.00 0.35 0.00 0.00 41.96 41.30 1x4a s TYR 86 CO -0.07 -0.27 0.00 -3.47 -1.34 0.00 0.00 175.55 170.40 1x4a n ASP 87 N 4.24 -4.67 0.00 4.32 -0.08 -1.26 -1.02 116.55 118.07 1x4a n ASP 87 Ca -0.21 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1x4a n ASP 87 Cb 0.51 -3.21 0.00 0.00 2.34 0.00 0.00 41.12 40.76 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 -1.20 0.67 3.62 0.27 0.00 -1.26 -5.03 105.19 102.26 1x4a n GLY 88 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.41 3.12 -0.95 1.61 2.02 -0.19 -5.05 117.35 115.51 1x4a s TYR 89 Ca 0.00 0.02 -0.22 0.00 -0.37 0.00 0.00 57.07 56.51 1x4a s TYR 89 Cb 0.00 -1.87 0.08 0.00 -0.40 0.00 0.00 41.96 39.77 1x4a s TYR 89 CO 0.00 0.27 1.30 1.03 -1.57 0.00 0.00 175.55 176.59 1x4a s ARG 90 N -0.35 3.54 0.71 -0.62 0.52 -1.26 -0.90 118.95 120.58 1x4a s ARG 90 Ca 0.07 -1.25 -0.16 0.00 -0.52 0.00 0.00 55.73 53.87 1x4a s ARG 90 Cb -0.12 -5.06 0.00 0.00 0.52 0.00 0.00 34.95 30.29 1x4a s ARG 90 CO 0.02 -2.04 1.00 1.28 0.02 0.00 0.00 175.30 175.58 1x4a n LEU 91 N 8.08 3.75 -3.96 2.53 4.77 -0.43 -4.78 117.00 126.96 1x4a n LEU 91 Ca 0.26 0.69 -0.31 0.00 -0.03 0.00 0.00 56.01 56.61 1x4a n LEU 91 Cb 0.50 -1.42 -0.15 0.00 -2.33 0.00 0.00 43.42 40.02 1x4a n LEU 91 CO 0.61 -1.94 -0.40 -0.60 -1.33 0.00 0.00 177.39 173.73 1x4a s ARG 92 N -3.32 1.64 -0.18 3.23 3.52 -0.32 -3.37 118.95 120.15 1x4a s ARG 92 Ca 0.74 -1.26 -0.06 0.00 -0.13 0.00 0.00 55.73 55.02 1x4a s ARG 92 Cb -0.35 -2.72 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1x4a s ARG 92 CO 0.49 -0.70 0.02 0.08 -0.81 0.00 0.00 175.30 174.38 1x4a s VAL 93 N 1.25 4.28 0.04 7.11 1.01 -1.26 -0.12 120.40 132.72 1x4a s VAL 93 Ca -0.01 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 1x4a s VAL 93 Cb -0.19 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.34 1x4a s VAL 93 CO -0.08 0.46 0.65 -1.83 0.00 0.00 0.00 175.10 174.29 1x4a s GLU 94 N 0.57 1.15 0.45 2.72 -1.05 -0.32 -4.56 118.70 117.67 1x4a s GLU 94 Ca 0.00 -0.06 -0.20 0.00 -0.15 0.00 0.00 54.97 54.56 1x4a s GLU 94 Cb -0.14 0.54 -0.10 0.00 -0.44 0.00 0.00 34.13 33.99 1x4a s GLU 94 CO 0.02 -0.43 0.97 -0.06 0.95 0.00 0.00 175.26 176.71 1x4a s PHE 95 N -2.30 3.24 -0.87 4.83 0.08 -1.26 -0.50 117.98 121.21 1x4a s PHE 95 Ca -0.06 1.59 -0.25 0.00 0.12 0.00 0.00 56.93 58.34 1x4a s PHE 95 Cb -0.00 -2.90 0.00 0.00 -0.57 0.00 0.00 43.02 39.55 1x4a s PHE 95 CO 0.00 -0.31 1.65 -1.25 -0.10 0.00 0.00 175.22 175.21 1x4a s PRO 96 N -3.27 3.03 -0.23 0.24 0.04 -1.26 -4.88 135.00 128.67 1x4a s PRO 96 Ca 0.63 -0.44 -0.08 0.00 0.04 0.00 0.00 61.00 61.16 1x4a s PRO 96 Cb -0.11 -4.92 -0.04 0.00 0.04 0.00 0.00 34.50 29.48 1x4a s PRO 96 CO 0.16 -2.67 0.08 1.03 0.04 0.00 0.00 177.00 175.65 1x4a s ARG 97 N 6.09 3.79 -0.01 4.56 0.52 -1.26 -5.00 118.95 127.64 1x4a s ARG 97 Ca 0.55 -0.42 -0.23 0.00 -0.52 0.00 0.00 55.73 55.11 1x4a s ARG 97 Cb -0.05 -3.33 -0.14 0.00 0.52 0.00 0.00 34.95 31.94 1x4a s ARG 97 CO 0.02 -0.05 1.04 1.03 0.02 0.00 0.00 175.30 177.36 1x4a h SER 98 N 7.79 -0.46 -1.14 0.23 0.87 -2.06 -3.50 113.55 115.28 1x4a h SER 98 Ca -0.37 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1x4a h SER 98 Cb 1.18 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1x4a h SER 98 CO 0.61 -0.05 0.00 0.61 -0.53 0.00 0.00 176.83 177.47 1x4a n GLY 99 N -0.13 0.34 3.77 5.77 0.00 -1.26 -5.11 105.19 108.57 1x4a n GLY 99 Ca -0.09 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 1x4a n GLY 99 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x4a s ARG 100 N -2.00 3.58 0.00 1.61 3.52 -1.26 -5.00 118.95 119.40 1x4a s ARG 100 Ca 0.00 1.72 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 1x4a s ARG 100 Cb 0.00 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.15 1x4a s ARG 100 CO 0.00 -0.69 0.00 0.41 -0.81 0.00 0.00 175.30 174.21 1x4a n GLY 101 N 0.34 0.16 3.11 8.12 0.00 -1.26 -5.07 105.19 110.58 1x4a n GLY 101 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 1x4a n GLY 101 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x4a n THR 102 N -0.97 -9.58 -4.30 2.61 -1.04 -1.26 -5.00 114.28 94.74 1x4a n THR 102 Ca 0.00 -0.07 -0.34 0.00 -2.04 0.00 0.00 64.05 61.60 1x4a n THR 102 Cb 0.00 -6.57 -0.13 0.00 -1.82 0.00 0.00 70.33 61.81 1x4a n THR 102 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1x4a s GLY 103 N -2.93 1.64 0.00 3.41 0.00 -1.26 -5.07 107.32 103.11 1x4a s GLY 103 Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1x4a s GLY 103 CO 0.77 0.10 0.00 -1.14 0.00 0.00 0.00 173.10 172.82 1x4a n SER 104 N 4.02 0.00 0.00 1.64 3.41 -1.26 -5.17 113.62 116.26 1x4a n SER 104 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1x4a n SER 104 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1x4a n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4a n GLY 105 N -0.06 2.27 3.79 5.00 0.00 -1.26 -5.14 105.19 109.79 1x4a n GLY 105 Ca 0.00 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1x4a n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4a s PRO 106 N 2.51 3.91 -0.40 1.61 0.04 -1.26 -5.04 135.00 136.38 1x4a s PRO 106 Ca 0.00 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.47 1x4a s PRO 106 Cb 0.00 -2.24 0.13 0.00 0.04 0.00 0.00 34.50 32.42 1x4a s PRO 106 CO 0.00 -0.34 0.19 -1.12 0.04 0.00 0.00 177.00 175.77 1x4a s SER 107 N -1.84 3.76 0.41 6.66 0.01 -1.26 -5.06 113.70 116.38 1x4a s SER 107 Ca 0.64 -2.33 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1x4a s SER 107 Cb -0.18 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.06 1x4a s SER 107 CO 0.23 -0.31 0.00 -1.20 0.41 0.00 0.00 173.24 172.36 1x4a n SER 108 N 3.93 -5.74 -0.41 2.44 7.64 -1.26 -5.36 113.62 114.86 1x4a n SER 108 Ca 0.06 1.25 0.05 0.00 1.01 0.00 0.00 58.87 61.24 1x4a n SER 108 Cb 0.37 -3.19 0.04 0.00 -1.01 0.00 0.00 64.21 60.42 1x4a n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64