#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 -0.06 -0.32 1.61 0.15 -1.26 -5.13 113.70 108.69 1x4a s SER 2 Ca 0.00 0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.79 1x4a s SER 2 Cb 0.00 0.51 0.09 0.00 -1.71 0.00 0.00 66.02 64.91 1x4a s SER 2 CO 0.00 -0.02 0.03 -0.44 1.20 0.00 0.00 173.24 174.01 1x4a s SER 3 N 0.47 4.57 -0.30 5.45 0.01 -1.26 -5.03 113.70 117.61 1x4a s SER 3 Ca 0.01 -1.94 -0.14 0.00 1.31 0.00 0.00 55.95 55.19 1x4a s SER 3 Cb -0.04 -1.48 0.18 0.00 0.21 0.00 0.00 66.02 64.88 1x4a s SER 3 CO -0.13 -0.35 1.08 -0.83 0.41 0.00 0.00 173.24 173.42 1x4a s GLY 4 N 1.05 -0.29 0.28 3.44 0.00 -1.26 -5.07 107.32 105.48 1x4a s GLY 4 Ca 0.08 2.85 0.00 0.00 0.00 0.00 0.00 44.72 47.65 1x4a s GLY 4 CO -0.10 3.82 0.00 -1.14 0.00 0.00 0.00 173.10 175.68 1x4a n SER 5 N 5.46 -0.62 -1.08 1.64 3.41 -1.26 -5.17 113.62 116.00 1x4a n SER 5 Ca -0.07 0.48 0.10 0.00 -0.26 0.00 0.00 58.87 59.11 1x4a n SER 5 Cb 0.54 0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 65.20 1x4a n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x4a n SER 6 N -3.35 -5.87 0.00 4.04 7.64 -1.26 -5.09 113.62 109.73 1x4a n SER 6 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1x4a n SER 6 Cb 0.00 -3.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.59 1x4a n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4a n GLY 7 N -3.36 2.21 3.07 0.23 0.00 -1.26 -5.06 105.19 101.02 1x4a n GLY 7 Ca -0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.17 -1.84 1.61 0.00 -1.26 -4.93 117.12 109.53 1x4a n MET 8 Ca 0.00 1.29 -0.31 0.00 0.00 0.00 0.00 57.70 58.68 1x4a n MET 8 Cb 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 33.22 31.56 1x4a n MET 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1x4a s SER 9 N -0.78 6.16 0.00 7.83 1.04 -1.26 -4.95 113.70 121.74 1x4a s SER 9 Ca -0.02 1.44 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1x4a s SER 9 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1x4a s SER 9 CO 0.14 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1x4a n GLY 10 N -2.69 0.05 0.00 7.32 0.00 -1.26 -5.04 105.19 103.58 1x4a n GLY 10 Ca 0.06 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1x4a n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4a n GLY 11 N 0.00 -0.63 2.34 -0.02 0.00 -1.26 -5.07 105.19 100.55 1x4a n GLY 11 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 -5.39 2.99 -0.02 0.00 -1.26 -4.72 105.19 96.79 1x4a n GLY 12 Ca 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 1x4a n GLY 12 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x4a n VAL 13 N 1.87 -7.99 -1.57 1.61 0.31 -1.26 -4.95 118.33 106.36 1x4a n VAL 13 Ca 0.00 1.04 -0.30 0.00 -0.01 0.00 0.00 64.34 65.06 1x4a n VAL 13 Cb 0.00 -5.46 0.07 0.00 -0.91 0.00 0.00 33.84 27.54 1x4a n VAL 13 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1x4a s ILE 14 N -1.64 3.46 -0.12 2.52 2.07 -1.26 -4.61 121.20 121.62 1x4a s ILE 14 Ca 0.11 0.47 -0.06 0.00 -1.41 0.00 0.00 60.65 59.77 1x4a s ILE 14 Cb -0.02 -3.23 0.02 0.00 0.13 0.00 0.00 42.46 39.36 1x4a s ILE 14 CO 0.59 -0.62 0.11 0.54 -1.91 0.00 0.00 174.94 173.65 1x4a n ARG 15 N -3.30 -2.93 -2.24 3.50 1.74 -1.26 -4.99 116.66 107.18 1x4a n ARG 15 Ca 0.07 2.37 -0.26 0.00 -0.77 0.00 0.00 57.85 59.26 1x4a n ARG 15 Cb 0.55 -3.24 0.08 0.00 -1.02 0.00 0.00 32.46 28.83 1x4a n ARG 15 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1x4a s GLY 16 N -0.58 1.71 -1.12 -0.13 0.00 -1.26 -4.94 107.32 101.00 1x4a s GLY 16 Ca -0.13 -1.03 -0.16 0.00 0.00 0.00 0.00 44.72 43.40 1x4a s GLY 16 CO 0.44 -0.60 2.15 -1.55 0.00 0.00 0.00 173.10 173.54 1x4a n PRO 17 N -2.93 2.27 -4.17 2.90 -0.04 -1.26 -4.88 135.00 126.88 1x4a n PRO 17 Ca 0.09 -2.12 -0.30 0.00 -0.04 0.00 0.00 63.50 61.14 1x4a n PRO 17 Cb 0.60 -3.00 -0.09 0.00 -0.04 0.00 0.00 33.50 30.98 1x4a n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x4a s ALA 18 N 3.90 3.18 0.67 0.55 0.00 -1.26 -5.10 121.76 123.70 1x4a s ALA 18 Ca 0.52 -1.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 1x4a s ALA 18 Cb 0.14 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 22.19 1x4a s ALA 18 CO 0.01 0.66 1.22 0.20 0.00 0.00 0.00 175.76 177.85 1x4a s GLY 19 N -2.35 2.55 0.85 0.00 0.00 -1.26 -4.97 107.32 102.14 1x4a s GLY 19 Ca 0.25 0.97 -0.11 0.00 0.00 0.00 0.00 44.72 45.82 1x4a s GLY 19 CO 0.17 1.37 1.16 -1.31 0.00 0.00 0.00 173.10 174.49 1x4a s ASN 20 N -1.81 3.47 -0.26 1.64 -0.87 -1.26 -4.99 114.94 110.86 1x4a s ASN 20 Ca 0.76 2.19 -0.09 0.00 -1.57 0.00 0.00 52.86 54.16 1x4a s ASN 20 Cb -0.31 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.25 38.32 1x4a s ASN 20 CO 0.41 -2.74 0.11 0.54 -2.57 0.00 0.00 177.10 172.85 1x4a s ASN 21 N -2.60 5.43 -0.03 -1.22 2.20 -1.26 -5.03 114.94 112.43 1x4a s ASN 21 Ca 0.68 -0.18 -0.29 0.00 -0.94 0.00 0.00 52.86 52.13 1x4a s ASN 21 Cb -0.24 -1.99 0.10 0.00 -2.00 0.00 0.00 41.25 37.13 1x4a s ASN 21 CO 0.54 -0.06 1.30 -1.81 -2.94 0.00 0.00 177.10 174.14 1x4a s ASP 22 N 1.66 -0.00 0.00 3.54 1.11 -1.26 -5.00 116.67 116.71 1x4a s ASP 22 Ca 0.06 -0.17 0.00 0.00 0.18 0.00 0.00 52.55 52.62 1x4a s ASP 22 Cb -0.16 0.13 0.00 0.00 1.07 0.00 0.00 42.92 43.97 1x4a s ASP 22 CO 0.06 -0.26 0.00 0.00 1.18 0.00 0.00 175.17 176.15 1x4a s ARG 24 N 0.00 3.88 0.17 0.00 1.70 -1.26 -2.27 118.95 121.17 1x4a s ARG 24 Ca 0.00 0.38 0.08 0.00 -0.47 0.00 0.00 55.73 55.73 1x4a s ARG 24 Cb 0.00 -3.75 -0.04 0.00 -0.57 0.00 0.00 34.95 30.59 1x4a s ARG 24 CO 0.00 -0.67 -0.08 0.96 -1.08 0.00 0.00 175.30 174.43 1x4a s ILE 25 N 2.81 3.31 -0.12 4.99 -4.36 -0.51 -4.33 121.20 122.99 1x4a s ILE 25 Ca 0.29 -1.55 -0.02 0.00 -0.26 0.00 0.00 60.65 59.10 1x4a s ILE 25 Cb -0.14 -2.63 -0.03 0.00 1.25 0.00 0.00 42.46 40.91 1x4a s ILE 25 CO 0.13 -0.07 -0.05 -0.47 0.24 0.00 0.00 174.94 174.72 1x4a s TYR 26 N -1.62 3.00 -0.18 1.37 5.04 0.56 -1.12 117.35 124.39 1x4a s TYR 26 Ca 0.25 -0.20 -0.02 0.00 -2.44 0.00 0.00 57.07 54.66 1x4a s TYR 26 Cb -0.09 -1.87 -0.01 0.00 0.35 0.00 0.00 41.96 40.34 1x4a s TYR 26 CO 0.15 0.09 -0.09 0.08 -1.34 0.00 0.00 175.55 174.44 1x4a s VAL 27 N -0.06 3.14 0.40 3.14 1.01 -0.27 -1.23 120.40 126.52 1x4a s VAL 27 Ca 0.01 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1x4a s VAL 27 Cb -0.13 -2.38 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 1x4a s VAL 27 CO 0.03 0.48 0.03 -0.83 0.00 0.00 0.00 175.10 174.80 1x4a s GLY 28 N 0.96 2.44 -0.77 4.51 0.00 0.61 -2.65 107.32 112.43 1x4a s GLY 28 Ca -0.01 -2.00 -0.01 0.00 0.00 0.00 0.00 44.72 42.70 1x4a s GLY 28 CO -0.00 -2.02 0.70 0.70 0.00 0.00 0.00 173.10 172.48 1x4a n ASN 29 N -0.93 -7.38 -4.58 1.64 3.02 -1.26 -0.54 115.26 105.23 1x4a n ASN 29 Ca -0.06 -0.22 -0.24 0.00 -0.03 0.00 0.00 54.58 54.03 1x4a n ASN 29 Cb 0.67 -4.89 -0.09 0.00 -0.61 0.00 0.00 39.78 34.87 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 -4.23 2.92 0.73 3.41 1.43 -1.23 -3.73 118.68 117.98 1x4a s LEU 30 Ca 0.03 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1x4a s LEU 30 Cb -0.01 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.86 1x4a s LEU 30 CO 0.77 -0.07 1.07 -2.16 0.23 0.00 0.00 176.35 176.19 1x4a s PRO 31 N -3.63 2.68 0.33 1.29 0.04 -1.26 -4.24 135.00 130.21 1x4a s PRO 31 Ca 0.32 0.86 0.17 0.00 0.04 0.00 0.00 61.00 62.38 1x4a s PRO 31 Cb -0.04 -1.97 0.43 0.00 0.04 0.00 0.00 34.50 32.96 1x4a s PRO 31 CO 0.18 -1.25 1.61 -1.00 0.04 0.00 0.00 177.00 176.58 1x4a h PRO 32 N -0.83 0.00 -1.02 0.56 0.13 -2.00 -3.10 132.00 125.73 1x4a h PRO 32 Ca -0.45 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.01 1x4a h PRO 32 Cb 1.23 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.05 1x4a h PRO 32 CO 0.58 0.46 0.68 -3.47 -0.23 0.00 0.00 178.00 176.02 1x4a n ASP 33 N -3.43 7.37 -4.90 1.44 2.03 -1.26 -4.98 116.55 112.81 1x4a n ASP 33 Ca 0.00 -3.79 -0.28 0.00 0.52 0.00 0.00 54.79 51.24 1x4a n ASP 33 Cb 0.61 -0.91 -0.03 0.00 -0.72 0.00 0.00 41.12 40.08 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 -4.82 4.99 0.05 5.18 1.10 -1.17 -5.10 121.20 121.42 1x4a s ILE 34 Ca 0.63 0.09 0.05 0.00 -0.51 0.00 0.00 60.65 60.91 1x4a s ILE 34 Cb 0.49 -3.76 -0.02 0.00 0.15 0.00 0.00 42.46 39.33 1x4a s ILE 34 CO -0.03 -0.41 -0.14 -0.13 -2.11 0.00 0.00 174.94 172.12 1x4a s ARG 35 N -3.75 0.92 0.45 3.50 1.81 -1.26 -5.01 118.95 115.60 1x4a s ARG 35 Ca 0.45 -0.81 0.31 0.00 -1.72 0.00 0.00 55.73 53.95 1x4a s ARG 35 Cb -0.10 -0.93 1.52 0.00 -0.45 0.00 0.00 34.95 34.99 1x4a s ARG 35 CO 0.32 0.22 1.93 1.15 -0.68 0.00 0.00 175.30 178.24 1x4a h THR 36 N 4.45 0.00 0.00 0.02 2.02 -1.99 -1.80 112.91 115.61 1x4a h THR 36 Ca -0.39 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1x4a h THR 36 Cb 1.18 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1x4a h THR 36 CO 0.43 0.00 -0.24 0.50 0.37 0.00 0.00 175.52 176.58 1x4a h LYS 37 N 0.00 0.00 -1.08 6.66 1.63 -1.98 -2.65 116.57 119.15 1x4a h LYS 37 Ca 0.00 0.00 0.31 0.00 -0.85 0.00 0.00 60.65 60.11 1x4a h LYS 37 Cb 0.17 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 31.68 1x4a h LYS 37 CO 0.00 0.00 0.66 -0.44 -3.45 0.00 0.00 179.45 176.22 1x4a h ASP 38 N -0.97 0.47 0.05 4.20 3.32 -1.94 1.56 116.42 123.11 1x4a h ASP 38 Ca 0.00 0.13 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 1x4a h ASP 38 Cb 0.24 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1x4a h ASP 38 CO 0.00 -0.02 -0.61 0.40 -1.72 0.00 0.00 179.24 177.28 1x4a h ILE 39 N 0.35 1.33 0.47 0.35 2.04 -1.46 -1.62 117.51 118.96 1x4a h ILE 39 Ca 0.69 -1.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1x4a h ILE 39 Cb 1.71 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 39.65 1x4a h ILE 39 CO -0.44 0.58 -0.27 -0.08 0.00 0.00 0.00 178.15 177.95 1x4a h GLU 40 N 0.41 -0.66 -0.59 2.37 4.81 0.25 -2.23 114.58 118.94 1x4a h GLU 40 Ca -0.01 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1x4a h GLU 40 Cb 1.17 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1x4a h GLU 40 CO 0.11 -0.44 0.38 -0.44 -0.73 0.00 0.00 179.01 177.89 1x4a h ASP 41 N -0.69 0.63 -0.79 1.04 3.32 -1.02 0.64 116.42 119.55 1x4a h ASP 41 Ca -0.06 -0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.13 1x4a h ASP 41 Cb 0.55 -0.15 -0.14 0.00 0.22 0.00 0.00 39.33 39.81 1x4a h ASP 41 CO 0.07 0.45 -0.31 0.58 -1.72 0.00 0.00 179.24 178.31 1x4a h VAL 42 N 0.76 0.12 0.06 -1.35 2.07 -0.98 0.14 116.25 117.07 1x4a h VAL 42 Ca 0.22 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.48 1x4a h VAL 42 Cb -0.04 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1x4a h VAL 42 CO -0.07 0.00 -1.10 -0.26 0.02 0.00 0.00 177.57 176.16 1x4a h PHE 43 N -0.06 0.74 -0.33 1.57 0.04 -0.87 -3.19 116.94 114.83 1x4a h PHE 43 Ca 0.32 -0.45 0.10 0.00 2.80 0.00 0.00 57.97 60.74 1x4a h PHE 43 Cb 0.58 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1x4a h PHE 43 CO -0.72 1.29 0.68 -0.92 -0.60 0.00 0.00 178.31 178.05 1x4a h TYR 44 N 0.22 0.00 0.00 -0.55 3.20 0.30 0.95 116.97 121.09 1x4a h TYR 44 Ca -0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1x4a h TYR 44 Cb 1.77 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.04 1x4a h TYR 44 CO 0.08 0.00 0.07 1.57 -1.64 0.00 0.00 178.16 178.24 1x4a h LYS 45 N 0.00 0.00 0.00 1.82 2.10 -1.22 -2.82 116.57 116.46 1x4a h LYS 45 Ca 0.16 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.68 1x4a h LYS 45 Cb 1.52 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.83 1x4a h LYS 45 CO -0.00 0.00 -1.36 0.66 -2.00 0.00 0.00 179.45 176.74 1x4a n TYR 46 N -2.56 0.13 0.00 0.07 4.01 0.33 -5.11 117.16 114.03 1x4a n TYR 46 Ca -0.02 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1x4a n TYR 46 Cb 0.12 -0.68 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 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 1.42 3.96 3.43 2.72 0.00 -1.06 -5.12 105.19 110.54 1x4a n GLY 47 Ca -0.25 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.47 2.46 0.01 4.61 0.00 -1.26 -4.37 121.76 121.74 1x4a s ALA 48 Ca 0.00 -1.82 0.07 0.00 0.00 0.00 0.00 51.96 50.21 1x4a s ALA 48 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1x4a s ALA 48 CO 0.00 0.16 -0.20 0.42 0.00 0.00 0.00 175.76 176.14 1x4a s ILE 49 N -2.72 2.60 -0.07 0.00 1.01 -1.26 -4.04 121.20 116.72 1x4a s ILE 49 Ca 0.27 -1.08 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 1x4a s ILE 49 Cb -0.02 -2.03 -0.27 0.00 0.01 0.00 0.00 42.46 40.15 1x4a s ILE 49 CO 0.12 0.46 0.57 -0.09 0.00 0.00 0.00 174.94 175.99 1x4a h ARG 50 N 4.98 0.27 -1.54 2.79 2.43 0.12 -3.47 114.38 119.96 1x4a h ARG 50 Ca -0.46 -0.46 0.22 0.00 -0.81 0.00 0.00 59.98 58.47 1x4a h ARG 50 Cb 1.14 0.17 -0.19 0.00 -0.42 0.00 0.00 29.97 30.67 1x4a h ARG 50 CO 0.48 1.15 0.77 0.34 -1.51 0.00 0.00 179.97 181.19 1x4a s ASP 51 N -7.00 -0.17 -0.03 -3.80 2.15 -1.21 -5.01 116.67 101.61 1x4a s ASP 51 Ca -0.16 0.03 0.02 0.00 0.43 0.00 0.00 52.55 52.87 1x4a s ASP 51 Cb 0.06 0.17 0.01 0.00 -0.30 0.00 0.00 42.92 42.86 1x4a s ASP 51 CO 0.81 -0.27 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.83 1x4a s ILE 52 N -2.30 0.77 -0.20 4.11 1.01 -1.26 -0.93 121.20 122.40 1x4a s ILE 52 Ca 0.08 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1x4a s ILE 52 Cb -0.01 -0.69 0.04 0.00 0.01 0.00 0.00 42.46 41.80 1x4a s ILE 52 CO -0.05 0.25 -0.14 -1.81 0.00 0.00 0.00 174.94 173.19 1x4a s ASP 53 N 0.28 3.50 -0.16 3.58 1.01 -0.23 -4.95 116.67 119.71 1x4a s ASP 53 Ca -0.05 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 52.32 1x4a s ASP 53 Cb -0.09 -1.38 -0.00 0.00 1.01 0.00 0.00 42.92 42.45 1x4a s ASP 53 CO 0.01 -0.10 -0.15 -0.22 0.21 0.00 0.00 175.17 174.91 1x4a s LEU 54 N 1.30 2.47 -0.08 1.23 2.96 -1.26 0.13 118.68 125.44 1x4a s LEU 54 Ca -0.01 -0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1x4a s LEU 54 Cb -0.16 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1x4a s LEU 54 CO -0.09 0.08 0.19 0.11 -1.32 0.00 0.00 176.35 175.32 1x4a h LYS 55 N 7.36 -0.16 -6.18 1.98 6.56 -1.56 -3.49 116.57 121.08 1x4a h LYS 55 Ca -0.33 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 1x4a h LYS 55 Cb 1.19 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1x4a h LYS 55 CO 0.57 -0.11 -0.95 -1.71 -2.06 0.00 0.00 179.45 175.20 1x4a n ASN 56 N -4.79 -6.76 0.00 0.86 5.15 -1.25 -5.00 115.26 103.47 1x4a n ASN 56 Ca -0.02 0.58 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 1x4a n ASN 56 Cb 0.06 -2.10 0.00 0.00 -0.53 0.00 0.00 39.78 37.22 1x4a n ASN 56 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1x4a n ARG 57 N 1.29 0.00 -1.47 1.20 0.63 -1.26 -5.07 116.66 111.99 1x4a n ARG 57 Ca -0.00 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.11 1x4a n ARG 57 Cb 0.41 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.24 1x4a n ARG 57 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1x4a n ARG 58 N -0.10 -3.25 -0.67 -0.14 1.74 -1.26 -4.84 116.66 108.14 1x4a n ARG 58 Ca 0.00 2.49 -0.27 0.00 -0.77 0.00 0.00 57.85 59.30 1x4a n ARG 58 Cb 0.00 -3.85 0.13 0.00 -1.02 0.00 0.00 32.46 27.72 1x4a n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x4a n GLY 59 N -4.36 -2.52 0.00 -0.13 0.00 -1.26 -4.85 105.19 92.07 1x4a n GLY 59 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 2.48 -1.37 3.81 -0.02 0.00 -1.26 -4.96 105.19 103.87 1x4a n GLY 60 Ca 0.02 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.93 3.16 0.11 1.61 0.04 -1.26 -4.94 135.00 131.78 1x4a s PRO 61 Ca 0.00 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 1x4a s PRO 61 Cb 0.00 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1x4a s PRO 61 CO 0.00 -0.93 1.15 -1.25 0.04 0.00 0.00 177.00 176.01 1x4a s PRO 62 N -4.58 4.50 0.17 0.56 0.04 -1.26 -4.91 135.00 129.53 1x4a s PRO 62 Ca 0.60 1.73 0.08 0.00 0.04 0.00 0.00 61.00 63.46 1x4a s PRO 62 Cb -0.15 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1x4a s PRO 62 CO 0.46 -0.11 -0.18 -0.59 0.04 0.00 0.00 177.00 176.62 1x4a s PHE 63 N 0.50 1.81 0.22 0.56 -0.71 -1.26 -3.55 117.98 115.55 1x4a s PHE 63 Ca 0.54 -0.48 -0.21 0.00 -1.04 0.00 0.00 56.93 55.75 1x4a s PHE 63 Cb -0.29 -0.90 0.04 0.00 -1.21 0.00 0.00 43.02 40.67 1x4a s PHE 63 CO 0.32 0.34 0.63 0.00 -1.34 0.00 0.00 175.22 175.17 1x4a s ALA 64 N -2.15 -1.30 0.09 1.99 0.00 -1.08 -1.22 121.76 118.09 1x4a s ALA 64 Ca 0.17 0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.23 1x4a s ALA 64 Cb -0.05 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 1x4a s ALA 64 CO 0.07 -0.89 -0.22 -0.06 0.00 0.00 0.00 175.76 174.66 1x4a s PHE 65 N -3.85 2.44 -0.14 0.00 0.40 0.35 -1.12 117.98 116.07 1x4a s PHE 65 Ca 0.07 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.10 1x4a s PHE 65 Cb -0.03 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.16 1x4a s PHE 65 CO -0.03 0.30 -0.20 0.08 0.70 0.00 0.00 175.22 176.07 1x4a s VAL 66 N -1.02 1.94 -0.25 -0.44 1.01 -0.27 -1.07 120.40 120.30 1x4a s VAL 66 Ca 0.15 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1x4a s VAL 66 Cb -0.10 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1x4a s VAL 66 CO 0.06 0.53 0.12 -0.70 0.00 0.00 0.00 175.10 175.11 1x4a s GLU 67 N 0.92 3.87 0.18 2.72 2.12 -0.11 -1.42 118.70 126.97 1x4a s GLU 67 Ca -0.05 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 54.94 1x4a s GLU 67 Cb -0.15 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 1x4a s GLU 67 CO -0.03 -0.07 0.27 -0.06 -0.54 0.00 0.00 175.26 174.82 1x4a s PHE 68 N 1.37 3.39 0.20 5.30 0.08 -0.96 0.16 117.98 127.51 1x4a s PHE 68 Ca 0.06 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.17 1x4a s PHE 68 Cb -0.15 -1.60 0.13 0.00 -0.57 0.00 0.00 43.02 40.83 1x4a s PHE 68 CO 0.06 0.50 1.48 0.93 -0.10 0.00 0.00 175.22 178.09 1x4a h GLU 69 N 1.95 0.34 -5.63 0.44 4.39 -1.91 -3.44 114.58 110.71 1x4a h GLU 69 Ca -0.49 -0.26 -0.47 0.00 0.34 0.00 0.00 59.36 58.48 1x4a h GLU 69 Cb 1.21 0.05 -0.22 0.00 -0.10 0.00 0.00 28.75 29.68 1x4a h GLU 69 CO 0.65 0.89 -0.80 -0.51 -1.16 0.00 0.00 179.01 178.09 1x4a s ASP 70 N -6.94 1.98 -0.01 1.42 1.11 -1.26 -5.06 116.67 107.92 1x4a s ASP 70 Ca -0.05 -0.61 -0.22 0.00 0.18 0.00 0.00 52.55 51.86 1x4a s ASP 70 Cb 0.11 -0.09 -0.22 0.00 1.07 0.00 0.00 42.92 43.79 1x4a s ASP 70 CO 0.82 -0.01 1.11 1.55 1.18 0.00 0.00 175.17 179.83 1x4a h PRO 71 N 4.35 0.32 -0.95 8.23 0.13 -1.93 -1.76 132.00 140.38 1x4a h PRO 71 Ca -0.42 -0.31 0.27 0.00 -0.87 0.00 0.00 66.00 64.67 1x4a h PRO 71 Cb 1.18 0.08 -0.17 0.00 0.13 0.00 0.00 31.00 32.22 1x4a h PRO 71 CO 0.41 0.98 0.13 0.00 -0.23 0.00 0.00 178.00 179.29 1x4a h ARG 72 N -0.23 0.06 0.19 0.86 3.08 -1.99 0.89 114.38 117.24 1x4a h ARG 72 Ca -0.04 -0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.69 1x4a h ARG 72 Cb 1.10 -0.01 0.03 0.00 0.08 0.00 0.00 29.97 31.17 1x4a h ARG 72 CO 0.08 0.04 -1.37 -0.44 -1.07 0.00 0.00 179.97 177.22 1x4a h ASP 73 N 0.06 0.83 -0.29 7.04 3.32 -1.99 -2.44 116.42 122.94 1x4a h ASP 73 Ca 0.60 -0.83 0.09 0.00 0.02 0.00 0.00 57.03 56.91 1x4a h ASP 73 Cb 1.27 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1x4a h ASP 73 CO -0.82 1.64 0.29 0.00 -1.72 0.00 0.00 179.24 178.62 1x4a h ALA 74 N 0.25 2.02 0.00 3.45 0.00 0.12 -0.77 119.26 124.33 1x4a h ALA 74 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1x4a h ALA 74 Cb 2.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1x4a h ALA 74 CO 0.26 -0.44 -0.18 0.93 0.00 0.00 0.00 179.25 179.81 1x4a h GLU 75 N 0.00 0.00 -1.51 0.00 5.08 0.48 -2.58 114.58 116.05 1x4a h GLU 75 Ca 0.14 0.00 0.44 0.00 -1.00 0.00 0.00 59.36 58.94 1x4a h GLU 75 Cb 0.71 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 1x4a h GLU 75 CO -0.00 0.00 1.21 -0.44 -1.00 0.00 0.00 179.01 178.78 1x4a h ASP 76 N -0.89 0.00 0.00 1.42 5.19 -1.07 0.64 116.42 121.70 1x4a h ASP 76 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1x4a h ASP 76 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1x4a h ASP 76 CO 0.00 0.00 -0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1x4a h ALA 77 N 0.99 -0.02 -1.53 3.45 0.00 -1.25 -2.07 119.26 118.83 1x4a h ALA 77 Ca 0.72 -0.00 0.48 0.00 0.00 0.00 0.00 54.91 56.11 1x4a h ALA 77 Cb 3.13 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 20.81 1x4a h ALA 77 CO -0.01 -0.02 1.04 -0.24 0.00 0.00 0.00 179.25 180.02 1x4a h VAL 78 N -0.03 0.09 0.31 0.00 3.04 -0.64 0.87 116.25 119.89 1x4a h VAL 78 Ca -0.00 -0.01 -0.02 0.00 -1.01 0.00 0.00 66.70 65.66 1x4a h VAL 78 Cb 0.00 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.33 1x4a h VAL 78 CO 0.00 0.01 -0.15 1.88 -1.01 0.00 0.00 177.57 178.30 1x4a h TYR 79 N 0.04 -0.39 0.44 3.17 -1.99 0.09 -2.68 116.97 115.65 1x4a h TYR 79 Ca 0.85 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 61.55 1x4a h TYR 79 Cb 2.98 0.13 0.00 0.00 2.00 0.00 0.00 36.73 41.84 1x4a h TYR 79 CO -0.00 -0.06 -0.21 0.78 -0.00 0.00 0.00 178.16 178.67 1x4a h GLY 80 N -0.95 -0.62 -0.94 3.88 0.00 0.72 -3.22 103.07 101.94 1x4a h GLY 80 Ca -0.04 0.23 0.19 0.00 0.00 0.00 0.00 47.33 47.71 1x4a h GLY 80 CO 0.07 -0.23 -0.21 0.54 0.00 0.00 0.00 176.54 176.71 1x4a n ARG 81 N -4.19 -0.08 -1.52 4.80 5.12 0.25 -4.09 116.66 116.94 1x4a n ARG 81 Ca -0.07 1.46 -0.34 0.00 -1.93 0.00 0.00 57.85 56.96 1x4a n ARG 81 Cb 0.23 -2.19 -0.12 0.00 -1.16 0.00 0.00 32.46 29.22 1x4a n ARG 81 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1x4a n ASP 82 N -5.52 0.66 0.00 0.55 2.03 -1.01 -0.00 116.55 113.26 1x4a n ASP 82 Ca 0.16 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1x4a n ASP 82 Cb 0.49 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 1x4a n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4a n GLY 83 N 6.24 1.32 3.92 0.27 0.00 -1.25 -4.91 105.19 110.78 1x4a n GLY 83 Ca 0.57 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.35 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 3.40 -0.24 1.61 5.04 0.10 -4.98 117.35 120.28 1x4a s TYR 84 Ca 0.00 0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.68 1x4a s TYR 84 Cb 0.00 -1.59 0.06 0.00 0.35 0.00 0.00 41.96 40.78 1x4a s TYR 84 CO 0.00 0.49 -0.06 0.34 -1.34 0.00 0.00 175.55 174.98 1x4a s ASP 85 N -3.48 3.97 -0.07 4.32 -1.08 -1.26 -1.56 116.67 117.50 1x4a s ASP 85 Ca 0.34 -1.23 0.05 0.00 -0.52 0.00 0.00 52.55 51.19 1x4a s ASP 85 Cb -0.10 -1.25 -0.01 0.00 -1.46 0.00 0.00 42.92 40.10 1x4a s ASP 85 CO 0.28 -0.23 -0.23 -0.47 0.52 0.00 0.00 175.17 175.04 1x4a s TYR 86 N 1.34 2.52 -1.64 -5.34 5.04 0.58 -4.56 117.35 115.29 1x4a s TYR 86 Ca -0.06 -0.75 0.00 0.00 -2.44 0.00 0.00 57.07 53.81 1x4a s TYR 86 Cb -0.19 -1.65 0.00 0.00 0.35 0.00 0.00 41.96 40.47 1x4a s TYR 86 CO -0.06 -0.24 0.00 -3.47 -1.34 0.00 0.00 175.55 170.44 1x4a n ASP 87 N 3.10 -5.55 0.00 4.32 -0.08 -1.26 0.08 116.55 117.16 1x4a n ASP 87 Ca -0.18 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 1x4a n ASP 87 Cb 0.52 -4.40 0.00 0.00 2.34 0.00 0.00 41.12 39.58 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 -0.17 1.93 3.85 0.27 0.00 -1.26 -5.03 105.19 104.79 1x4a n GLY 88 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.39 3.59 0.19 1.61 2.02 0.11 -5.04 117.35 117.45 1x4a s TYR 89 Ca 0.00 0.96 -0.21 0.00 -0.37 0.00 0.00 57.07 57.45 1x4a s TYR 89 Cb 0.00 -2.29 -0.08 0.00 -0.40 0.00 0.00 41.96 39.19 1x4a s TYR 89 CO 0.00 0.46 0.71 -0.98 -1.57 0.00 0.00 175.55 174.17 1x4a s ARG 90 N -1.95 4.30 0.33 -0.62 1.70 -1.26 -0.31 118.95 121.14 1x4a s ARG 90 Ca 0.36 0.90 0.10 0.00 -0.47 0.00 0.00 55.73 56.62 1x4a s ARG 90 Cb -0.15 -3.00 -0.06 0.00 -0.57 0.00 0.00 34.95 31.17 1x4a s ARG 90 CO 0.19 0.46 -0.12 -0.51 -1.08 0.00 0.00 175.30 174.24 1x4a s LEU 91 N -1.71 2.69 -0.24 -1.89 1.43 -0.60 -4.52 118.68 113.84 1x4a s LEU 91 Ca 0.40 -1.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1x4a s LEU 91 Cb -0.18 -1.01 0.08 0.00 0.03 0.00 0.00 46.19 45.10 1x4a s LEU 91 CO 0.22 -0.15 0.06 -0.13 0.23 0.00 0.00 176.35 176.58 1x4a s ARG 92 N -3.59 0.68 -0.23 1.70 0.52 0.30 -3.91 118.95 114.42 1x4a s ARG 92 Ca 0.32 -0.65 -0.10 0.00 -0.52 0.00 0.00 55.73 54.78 1x4a s ARG 92 Cb 0.01 -2.02 -0.05 0.00 0.52 0.00 0.00 34.95 33.41 1x4a s ARG 92 CO 0.16 -0.77 0.14 0.08 0.02 0.00 0.00 175.30 174.92 1x4a s VAL 93 N 1.78 5.16 0.11 3.52 1.01 -1.26 -0.28 120.40 130.44 1x4a s VAL 93 Ca 0.03 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 1x4a s VAL 93 Cb -0.17 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 32.88 1x4a s VAL 93 CO -0.15 0.36 0.61 -1.83 0.00 0.00 0.00 175.10 174.09 1x4a s GLU 94 N 1.05 1.22 0.50 2.72 -1.05 -0.37 -4.30 118.70 118.48 1x4a s GLU 94 Ca 0.07 -0.30 -0.20 0.00 -0.15 0.00 0.00 54.97 54.39 1x4a s GLU 94 Cb -0.14 0.56 -0.08 0.00 -0.44 0.00 0.00 34.13 34.04 1x4a s GLU 94 CO 0.04 -0.50 1.06 -0.06 0.95 0.00 0.00 175.26 176.75 1x4a s PHE 95 N -3.12 2.93 -0.58 4.83 0.08 -1.26 -0.32 117.98 120.54 1x4a s PHE 95 Ca -0.02 1.57 -0.27 0.00 0.12 0.00 0.00 56.93 58.32 1x4a s PHE 95 Cb -0.01 -3.11 0.01 0.00 -0.57 0.00 0.00 43.02 39.34 1x4a s PHE 95 CO -0.07 -1.00 1.51 -1.25 -0.10 0.00 0.00 175.22 174.31 1x4a s PRO 96 N -3.29 3.15 0.07 0.24 0.04 -1.26 -4.79 135.00 129.15 1x4a s PRO 96 Ca 0.68 0.44 -0.33 0.00 0.04 0.00 0.00 61.00 61.84 1x4a s PRO 96 Cb -0.18 -4.19 -0.19 0.00 0.04 0.00 0.00 34.50 29.98 1x4a s PRO 96 CO 0.22 -2.13 1.60 -0.09 0.04 0.00 0.00 177.00 176.64 1x4a h ARG 97 N 11.82 -0.88 -5.44 4.56 9.65 -1.98 -3.49 114.38 128.62 1x4a h ARG 97 Ca -0.27 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1x4a h ARG 97 Cb 1.10 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.87 1x4a h ARG 97 CO 1.19 -0.58 -1.02 0.45 2.80 0.00 0.00 179.97 182.81 1x4a n SER 98 N -5.48 -7.07 -3.63 -3.80 2.88 -1.26 -5.05 113.62 90.21 1x4a n SER 98 Ca -0.14 1.18 -0.14 0.00 -1.33 0.00 0.00 58.87 58.45 1x4a n SER 98 Cb 0.37 -4.37 -0.07 0.00 -0.75 0.00 0.00 64.21 59.39 1x4a n SER 98 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4a s GLY 99 N -1.37 -0.54 -0.26 0.46 0.00 -1.26 -5.17 107.32 99.19 1x4a s GLY 99 Ca -0.02 2.02 -0.26 0.00 0.00 0.00 0.00 44.72 46.45 1x4a s GLY 99 CO 0.59 1.75 1.04 0.50 0.00 0.00 0.00 173.10 176.98 1x4a s ARG 100 N 0.42 0.50 0.45 2.90 0.52 -1.26 -5.18 118.95 117.30 1x4a s ARG 100 Ca -0.00 0.50 0.07 0.00 -0.52 0.00 0.00 55.73 55.77 1x4a s ARG 100 Cb -0.05 0.24 -0.01 0.00 0.52 0.00 0.00 34.95 35.65 1x4a s ARG 100 CO 0.00 -0.08 0.35 0.20 0.02 0.00 0.00 175.30 175.80 1x4a s GLY 101 N -0.01 2.23 -0.02 -3.53 0.00 -1.26 -5.08 107.32 99.64 1x4a s GLY 101 Ca 0.02 -1.79 -0.07 0.00 0.00 0.00 0.00 44.72 42.89 1x4a s GLY 101 CO -0.05 -1.80 -0.13 2.41 0.00 0.00 0.00 173.10 173.52 1x4a n THR 102 N -1.55 1.18 -1.54 0.90 -1.04 -1.26 -5.02 114.28 105.94 1x4a n THR 102 Ca 0.02 0.28 -0.47 0.00 -2.04 0.00 0.00 64.05 61.84 1x4a n THR 102 Cb 0.63 -1.83 -0.03 0.00 -1.82 0.00 0.00 70.33 67.28 1x4a n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x4a n GLY 103 N 2.61 -0.47 2.69 3.41 0.00 -1.26 -4.94 105.19 107.24 1x4a n GLY 103 Ca -0.05 0.41 -0.04 0.00 0.00 0.00 0.00 46.02 46.34 1x4a n GLY 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4a n SER 104 N 1.65 -1.93 -2.03 1.61 3.41 -1.26 -5.17 113.62 109.90 1x4a n SER 104 Ca 0.13 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1x4a n SER 104 Cb 0.27 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 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 2.53 -0.16 3.55 5.00 0.00 -1.26 -4.95 105.19 109.90 1x4a n GLY 105 Ca 0.12 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.79 2.98 0.48 1.61 0.04 -1.26 -4.81 135.00 132.25 1x4a s PRO 106 Ca 0.00 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1x4a s PRO 106 Cb 0.00 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.90 1x4a s PRO 106 CO 0.00 -2.57 0.00 0.43 0.04 0.00 0.00 177.00 174.90 1x4a n SER 107 N 11.16 -8.37 0.47 6.66 7.64 -1.26 -4.54 113.62 125.38 1x4a n SER 107 Ca 0.21 1.02 -0.18 0.00 1.01 0.00 0.00 58.87 60.93 1x4a n SER 107 Cb 0.50 -4.62 -0.09 0.00 -1.01 0.00 0.00 64.21 58.99 1x4a n SER 107 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x4a h SER 108 N -1.40 -1.02 0.00 6.43 0.87 -1.99 -3.52 113.55 112.93 1x4a h SER 108 Ca -0.09 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1x4a h SER 108 Cb 1.37 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1x4a h SER 108 CO 0.05 -0.70 0.00 0.61 -0.53 0.00 0.00 176.83 176.26