#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4a n SER 2 N 0.00 -3.67 -3.84 1.61 3.41 -1.26 -5.15 113.62 104.71 1x4a n SER 2 Ca 0.00 0.80 -0.11 0.00 -0.26 0.00 0.00 58.87 59.30 1x4a n SER 2 Cb 0.00 3.47 -0.09 0.00 -0.26 0.00 0.00 64.21 67.33 1x4a n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4a s SER 3 N -2.00 -0.01 0.09 4.04 0.15 -1.26 -5.17 113.70 109.54 1x4a s SER 3 Ca 0.00 -0.21 -0.10 0.00 0.70 0.00 0.00 55.95 56.34 1x4a s SER 3 Cb 0.00 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1x4a s SER 3 CO 0.00 -0.45 0.22 -0.83 1.20 0.00 0.00 173.24 173.39 1x4a s GLY 4 N -1.62 0.03 -0.25 9.45 0.00 -1.26 -5.09 107.32 108.57 1x4a s GLY 4 Ca -0.11 -0.48 -0.06 0.00 0.00 0.00 0.00 44.72 44.07 1x4a s GLY 4 CO 0.00 -0.68 0.51 -0.45 0.00 0.00 0.00 173.10 172.48 1x4a s SER 5 N -2.75 -0.62 0.02 1.64 0.15 -1.26 -5.16 113.70 105.72 1x4a s SER 5 Ca 0.03 0.97 -0.15 0.00 0.70 0.00 0.00 55.95 57.50 1x4a s SER 5 Cb 0.04 1.72 0.02 0.00 -1.71 0.00 0.00 66.02 66.09 1x4a s SER 5 CO -0.10 -0.25 0.33 -0.44 1.20 0.00 0.00 173.24 173.98 1x4a s SER 6 N 2.73 -0.19 -0.13 5.45 0.01 -1.26 -5.14 113.70 115.16 1x4a s SER 6 Ca 0.05 -0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.14 1x4a s SER 6 Cb -0.13 0.35 0.04 0.00 0.21 0.00 0.00 66.02 66.48 1x4a s SER 6 CO -0.17 -0.55 0.38 -0.83 0.41 0.00 0.00 173.24 172.49 1x4a s GLY 7 N -1.72 -0.28 -0.28 3.44 0.00 -1.26 -5.06 107.32 102.16 1x4a s GLY 7 Ca -0.09 1.02 -0.20 0.00 0.00 0.00 0.00 44.72 45.46 1x4a s GLY 7 CO 0.00 0.87 0.90 -0.29 0.00 0.00 0.00 173.10 174.58 1x4a s MET 8 N 0.06 0.54 0.10 2.90 0.00 -1.26 -5.17 119.30 116.48 1x4a s MET 8 Ca -0.01 0.81 0.02 0.00 0.00 0.00 0.00 55.69 56.51 1x4a s MET 8 Cb -0.03 0.18 -0.04 0.00 0.00 0.00 0.00 34.83 34.94 1x4a s MET 8 CO 0.01 -0.09 0.18 0.45 0.00 0.00 0.00 175.02 175.56 1x4a s SER 9 N 0.97 5.96 0.00 1.11 0.15 -1.26 -5.06 113.70 115.57 1x4a s SER 9 Ca -0.05 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1x4a s SER 9 Cb -0.04 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 1x4a s SER 9 CO -0.12 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1x4a n GLY 10 N 0.04 4.38 0.00 9.45 0.00 -1.26 -5.14 105.19 112.65 1x4a n GLY 10 Ca -0.07 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.67 4.04 0.00 -0.02 0.00 -1.26 -5.05 105.19 101.22 1x4a n GLY 11 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.76 1.71 3.28 -0.02 0.00 -1.26 -5.17 105.19 102.97 1x4a n GLY 12 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1x4a n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4a s VAL 13 N -1.21 1.82 0.66 1.61 0.11 -1.26 -5.13 120.40 117.00 1x4a s VAL 13 Ca 0.00 -1.20 -0.11 0.00 -2.93 0.00 0.00 61.98 57.74 1x4a s VAL 13 Cb 0.00 -1.56 -0.01 0.00 -1.53 0.00 0.00 36.38 33.28 1x4a s VAL 13 CO 0.00 0.32 1.05 -0.51 -3.33 0.00 0.00 175.10 172.63 1x4a s ILE 14 N -0.74 4.18 1.02 7.04 2.07 -1.26 -5.00 121.20 128.51 1x4a s ILE 14 Ca 0.09 0.74 -0.18 0.00 -1.41 0.00 0.00 60.65 59.90 1x4a s ILE 14 Cb -0.09 -3.51 -0.02 0.00 0.13 0.00 0.00 42.46 38.97 1x4a s ILE 14 CO 0.01 -0.89 -0.26 -2.11 -1.91 0.00 0.00 174.94 169.78 1x4a n ARG 15 N -2.90 -0.55 -3.54 3.50 1.85 -1.26 -5.01 116.66 108.75 1x4a n ARG 15 Ca 0.07 -0.14 -0.08 0.00 -1.00 0.00 0.00 57.85 56.70 1x4a n ARG 15 Cb 0.54 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.42 1x4a n ARG 15 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1x4a s GLY 16 N -1.60 -0.37 1.04 2.89 0.00 -1.26 -5.12 107.32 102.91 1x4a s GLY 16 Ca 0.50 1.43 -0.18 0.00 0.00 0.00 0.00 44.72 46.47 1x4a s GLY 16 CO 0.70 0.57 1.15 -1.55 0.00 0.00 0.00 173.10 173.96 1x4a n PRO 17 N 0.04 -2.12 -3.14 2.90 -0.04 -1.26 -5.04 135.00 126.34 1x4a n PRO 17 Ca -0.07 -1.80 -0.19 0.00 -0.04 0.00 0.00 63.50 61.41 1x4a n PRO 17 Cb 0.60 -1.42 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 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 -3.50 4.52 0.06 0.55 0.00 -1.26 -4.92 121.76 117.21 1x4a s ALA 18 Ca 0.69 -1.83 -0.28 0.00 0.00 0.00 0.00 51.96 50.55 1x4a s ALA 18 Cb -0.04 -1.44 0.10 0.00 0.00 0.00 0.00 23.12 21.73 1x4a s ALA 18 CO 0.51 -0.47 1.17 0.20 0.00 0.00 0.00 175.76 177.17 1x4a s GLY 19 N -4.42 -0.25 -0.48 0.00 0.00 -1.26 -5.11 107.32 95.80 1x4a s GLY 19 Ca 0.55 0.31 -0.29 0.00 0.00 0.00 0.00 44.72 45.30 1x4a s GLY 19 CO 0.34 1.14 1.30 -1.31 0.00 0.00 0.00 173.10 174.57 1x4a s ASN 20 N -3.14 6.40 0.31 1.64 0.01 -1.26 -4.82 114.94 114.07 1x4a s ASN 20 Ca 0.17 0.53 0.00 0.00 -0.71 0.00 0.00 52.86 52.84 1x4a s ASN 20 Cb 0.02 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.13 1x4a s ASN 20 CO -0.01 -1.44 0.00 0.59 -1.51 0.00 0.00 177.10 174.73 1x4a n ASN 21 N 8.64 -6.04 -4.13 -1.22 3.02 -1.26 -4.70 115.26 109.57 1x4a n ASN 21 Ca 0.13 0.62 -0.34 0.00 -0.03 0.00 0.00 54.58 54.96 1x4a n ASN 21 Cb 0.49 -3.57 -0.14 0.00 -0.61 0.00 0.00 39.78 35.95 1x4a n ASN 21 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1x4a s ASP 22 N -5.73 4.86 0.03 6.41 1.11 -1.26 -4.91 116.67 117.19 1x4a s ASP 22 Ca 0.00 -1.49 0.22 0.00 0.18 0.00 0.00 52.55 51.46 1x4a s ASP 22 Cb 0.00 -1.70 -0.14 0.00 1.07 0.00 0.00 42.92 42.15 1x4a s ASP 22 CO 0.00 -0.30 0.81 0.00 1.18 0.00 0.00 175.17 176.86 1x4a s ARG 24 N -3.31 3.22 0.02 0.00 0.52 -1.26 -0.91 118.95 117.22 1x4a s ARG 24 Ca -0.01 -0.81 -0.00 0.00 -0.52 0.00 0.00 55.73 54.39 1x4a s ARG 24 Cb 0.14 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 1x4a s ARG 24 CO 0.85 -0.49 0.13 0.96 0.02 0.00 0.00 175.30 176.77 1x4a s ILE 25 N 1.61 4.99 -0.15 1.52 -4.36 0.49 -4.57 121.20 120.73 1x4a s ILE 25 Ca 0.04 -0.40 -0.02 0.00 -0.26 0.00 0.00 60.65 60.01 1x4a s ILE 25 Cb -0.18 -3.34 -0.02 0.00 1.25 0.00 0.00 42.46 40.17 1x4a s ILE 25 CO 0.07 0.27 -0.07 -0.47 0.24 0.00 0.00 174.94 174.98 1x4a s TYR 26 N -1.31 2.95 -0.13 1.37 6.14 -0.90 0.20 117.35 125.67 1x4a s TYR 26 Ca 0.27 -0.47 -0.03 0.00 0.64 0.00 0.00 57.07 57.48 1x4a s TYR 26 Cb -0.12 -1.93 -0.03 0.00 0.42 0.00 0.00 41.96 40.29 1x4a s TYR 26 CO 0.19 -0.14 -0.03 0.08 0.64 0.00 0.00 175.55 176.28 1x4a s VAL 27 N 0.46 3.96 0.39 3.14 1.01 -0.09 -1.24 120.40 128.03 1x4a s VAL 27 Ca -0.06 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1x4a s VAL 27 Cb -0.15 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1x4a s VAL 27 CO 0.03 0.53 0.17 -0.83 0.00 0.00 0.00 175.10 175.00 1x4a s GLY 28 N -0.05 2.54 -1.61 4.51 0.00 0.44 -2.41 107.32 110.74 1x4a s GLY 28 Ca 0.02 -1.44 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 1x4a s GLY 28 CO 0.02 -1.73 0.16 -2.01 0.00 0.00 0.00 173.10 169.55 1x4a n ASN 29 N -1.38 -5.68 -4.87 1.64 2.85 -1.26 -0.02 115.26 106.54 1x4a n ASN 29 Ca -0.02 -0.09 -0.31 0.00 -0.11 0.00 0.00 54.58 54.05 1x4a n ASN 29 Cb 0.64 -4.65 0.01 0.00 1.24 0.00 0.00 39.78 37.02 1x4a n ASN 29 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1x4a s LEU 30 N -5.80 3.24 0.84 1.20 1.43 -1.24 -4.19 118.68 114.16 1x4a s LEU 30 Ca 0.08 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 1x4a s LEU 30 Cb -0.04 -4.47 0.09 0.00 0.03 0.00 0.00 46.19 41.81 1x4a s LEU 30 CO 0.10 -0.87 1.11 -2.16 0.23 0.00 0.00 176.35 174.77 1x4a s PRO 31 N -5.17 1.77 0.27 1.29 0.04 -1.26 -4.31 135.00 127.63 1x4a s PRO 31 Ca 0.55 0.52 0.13 0.00 0.04 0.00 0.00 61.00 62.24 1x4a s PRO 31 Cb -0.11 -1.89 0.28 0.00 0.04 0.00 0.00 34.50 32.82 1x4a s PRO 31 CO 0.54 -1.82 1.55 -1.00 0.04 0.00 0.00 177.00 176.31 1x4a h PRO 32 N -1.23 0.00 -1.84 0.56 0.13 -1.97 -3.22 132.00 124.42 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 1.29 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.10 1x4a h PRO 32 CO 0.60 0.62 0.47 -3.47 -0.23 0.00 0.00 178.00 175.99 1x4a n ASP 33 N -3.55 6.59 -4.93 1.44 -0.08 -1.26 -5.00 116.55 109.76 1x4a n ASP 33 Ca -0.00 -3.80 -0.26 0.00 -1.51 0.00 0.00 54.79 49.22 1x4a n ASP 33 Cb 0.67 -0.87 -0.03 0.00 2.34 0.00 0.00 41.12 43.24 1x4a n ASP 33 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1x4a s ILE 34 N -5.22 5.18 -0.02 5.18 1.10 -1.22 -5.11 121.20 121.09 1x4a s ILE 34 Ca 0.51 -0.41 0.03 0.00 -0.51 0.00 0.00 60.65 60.26 1x4a s ILE 34 Cb 0.42 -3.77 -0.00 0.00 0.15 0.00 0.00 42.46 39.26 1x4a s ILE 34 CO -0.34 -0.27 -0.11 -0.13 -2.11 0.00 0.00 174.94 171.98 1x4a s ARG 35 N -3.57 1.07 0.22 3.50 0.52 -1.26 -5.03 118.95 114.39 1x4a s ARG 35 Ca 0.39 -0.39 -0.09 0.00 -0.52 0.00 0.00 55.73 55.11 1x4a s ARG 35 Cb -0.11 -1.00 0.33 0.00 0.52 0.00 0.00 34.95 34.70 1x4a s ARG 35 CO 0.30 0.18 1.67 1.15 0.02 0.00 0.00 175.30 178.63 1x4a h THR 36 N 5.16 0.51 0.24 0.02 2.02 -1.99 0.78 112.91 119.66 1x4a h THR 36 Ca -0.33 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 66.80 1x4a h THR 36 Cb 1.17 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1x4a h THR 36 CO 0.49 0.03 -0.35 0.50 0.37 0.00 0.00 175.52 176.56 1x4a h LYS 37 N 0.17 -0.62 -1.01 6.66 3.11 -1.98 0.62 116.57 123.52 1x4a h LYS 37 Ca 0.34 0.04 0.23 0.00 -2.81 0.00 0.00 60.65 58.45 1x4a h LYS 37 Cb 0.56 0.14 -0.11 0.00 -1.00 0.00 0.00 32.23 31.82 1x4a h LYS 37 CO -0.51 -0.42 0.62 -0.44 -2.81 0.00 0.00 179.45 175.90 1x4a h ASP 38 N -0.65 0.64 0.87 4.20 5.19 -1.63 1.54 116.42 126.58 1x4a h ASP 38 Ca 0.00 0.10 -0.09 0.00 -0.62 0.00 0.00 57.03 56.42 1x4a h ASP 38 Cb 0.63 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 1x4a h ASP 38 CO -0.13 0.17 -0.44 0.40 -3.12 0.00 0.00 179.24 176.12 1x4a h ILE 39 N 0.59 0.99 0.08 0.35 2.04 0.67 -2.75 117.51 119.48 1x4a h ILE 39 Ca 0.60 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 1x4a h ILE 39 Cb 1.17 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 1x4a h ILE 39 CO -0.38 0.43 -0.04 -0.08 0.00 0.00 0.00 178.15 178.09 1x4a h GLU 40 N 0.00 -0.10 -0.99 2.37 4.81 0.77 -3.18 114.58 118.25 1x4a h GLU 40 Ca -0.00 0.01 0.36 0.00 -0.13 0.00 0.00 59.36 59.59 1x4a h GLU 40 Cb 0.99 0.02 -0.17 0.00 0.63 0.00 0.00 28.75 30.23 1x4a h GLU 40 CO 0.06 -0.07 0.47 0.22 -0.73 0.00 0.00 179.01 178.96 1x4a h ASP 41 N -0.27 0.27 -0.14 1.04 3.58 -0.68 1.22 116.42 121.45 1x4a h ASP 41 Ca -0.01 0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.69 1x4a h ASP 41 Cb 0.08 0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 1x4a h ASP 41 CO 0.02 -0.31 -0.26 0.58 -2.88 0.00 0.00 179.24 176.39 1x4a h VAL 42 N 0.13 0.00 -0.06 2.25 2.07 -1.55 -1.10 116.25 117.99 1x4a h VAL 42 Ca 0.76 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 68.16 1x4a h VAL 42 Cb 1.85 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1x4a h VAL 42 CO -0.72 0.00 -0.52 -0.26 0.02 0.00 0.00 177.57 176.08 1x4a h PHE 43 N -0.22 0.19 0.00 1.57 -1.00 -0.68 -2.80 116.94 114.00 1x4a h PHE 43 Ca 0.03 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1x4a h PHE 43 Cb 0.29 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1x4a h PHE 43 CO -0.60 0.65 0.30 -0.92 -1.61 0.00 0.00 178.31 176.13 1x4a h TYR 44 N 0.12 0.00 0.00 -0.55 5.03 0.23 0.49 116.97 122.29 1x4a h TYR 44 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1x4a h TYR 44 Cb 0.97 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.25 1x4a h TYR 44 CO 0.01 0.00 0.00 0.36 -1.32 0.00 0.00 178.16 177.21 1x4a n LYS 45 N -2.72 0.12 -0.10 1.82 2.85 -0.51 -2.95 118.16 116.67 1x4a n LYS 45 Ca -0.02 0.53 -0.15 0.00 -1.05 0.00 0.00 58.31 57.62 1x4a n LYS 45 Cb 0.35 -1.83 -0.05 0.00 -0.65 0.00 0.00 35.03 32.85 1x4a n LYS 45 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1x4a n TYR 46 N -2.07 0.00 0.00 5.58 4.02 0.17 -5.11 117.16 119.76 1x4a n TYR 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1x4a n TYR 46 Cb 0.09 -0.64 0.00 0.00 -0.02 0.00 0.00 39.34 38.77 1x4a n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x4a n GLY 47 N 1.41 4.14 3.46 2.72 0.00 -1.15 -5.14 105.19 110.63 1x4a n GLY 47 Ca -0.26 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.60 2.60 -0.03 4.61 0.00 -1.26 -4.48 121.76 121.60 1x4a s ALA 48 Ca 0.00 -1.91 0.05 0.00 0.00 0.00 0.00 51.96 50.10 1x4a s ALA 48 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1x4a s ALA 48 CO 0.00 0.11 -0.16 0.42 0.00 0.00 0.00 175.76 176.14 1x4a s ILE 49 N -2.72 2.94 -0.09 0.00 1.01 -1.26 -4.03 121.20 117.05 1x4a s ILE 49 Ca 0.29 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 1x4a s ILE 49 Cb -0.00 -2.16 -0.28 0.00 0.01 0.00 0.00 42.46 40.02 1x4a s ILE 49 CO 0.13 0.54 0.58 -0.09 0.00 0.00 0.00 174.94 176.10 1x4a h ARG 50 N 5.18 0.28 -1.44 2.79 2.43 -1.54 -3.47 114.38 118.60 1x4a h ARG 50 Ca -0.46 -0.49 0.16 0.00 -0.81 0.00 0.00 59.98 58.38 1x4a h ARG 50 Cb 1.15 0.18 -0.23 0.00 -0.42 0.00 0.00 29.97 30.65 1x4a h ARG 50 CO 0.50 1.23 0.71 0.34 -1.51 0.00 0.00 179.97 181.24 1x4a s ASP 51 N -7.10 -0.23 -0.17 -3.80 2.15 -1.25 -5.01 116.67 101.26 1x4a s ASP 51 Ca -0.19 0.21 -0.00 0.00 0.43 0.00 0.00 52.55 53.00 1x4a s ASP 51 Cb 0.05 0.20 0.04 0.00 -0.30 0.00 0.00 42.92 42.91 1x4a s ASP 51 CO 0.79 -0.25 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.84 1x4a s ILE 52 N -1.41 1.25 -0.37 4.11 1.01 -1.26 -0.19 121.20 124.34 1x4a s ILE 52 Ca 0.04 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 1x4a s ILE 52 Cb -0.01 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 41.12 1x4a s ILE 52 CO -0.03 0.19 0.22 -1.81 0.00 0.00 0.00 174.94 173.50 1x4a s ASP 53 N 1.58 5.77 -0.17 3.58 1.11 -0.53 -4.92 116.67 123.09 1x4a s ASP 53 Ca 0.01 -0.95 -0.01 0.00 0.18 0.00 0.00 52.55 51.78 1x4a s ASP 53 Cb -0.15 -2.04 -0.01 0.00 1.07 0.00 0.00 42.92 41.79 1x4a s ASP 53 CO -0.08 -0.38 -0.11 -0.22 1.18 0.00 0.00 175.17 175.56 1x4a s LEU 54 N 1.58 2.67 0.00 1.23 2.96 -1.26 0.16 118.68 126.01 1x4a s LEU 54 Ca 0.03 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1x4a s LEU 54 Cb -0.19 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1x4a s LEU 54 CO 0.07 0.06 0.22 0.29 -1.32 0.00 0.00 176.35 175.68 1x4a n LYS 55 N 4.21 0.00 -2.69 1.98 5.02 -0.39 -4.98 118.16 121.31 1x4a n LYS 55 Ca -0.19 0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.09 1x4a n LYS 55 Cb 0.52 -0.73 -0.03 0.00 -0.02 0.00 0.00 35.03 34.76 1x4a n LYS 55 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1x4a n ASN 56 N -0.55 -3.11 0.00 4.39 5.15 -1.26 -4.95 115.26 114.93 1x4a n ASN 56 Ca 0.00 1.28 0.00 0.00 -0.60 0.00 0.00 54.58 55.26 1x4a n ASN 56 Cb 0.00 -4.11 0.00 0.00 -0.53 0.00 0.00 39.78 35.14 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 1.98 0.00 -3.61 1.20 0.63 -1.26 -5.10 116.66 110.50 1x4a n ARG 57 Ca -0.26 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.63 1x4a n ARG 57 Cb 0.40 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.29 1x4a n ARG 57 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1x4a s ARG 58 N 0.00 0.24 0.00 -0.14 3.52 -1.26 -5.12 118.95 116.19 1x4a s ARG 58 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 1x4a s ARG 58 Cb 0.00 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 1x4a s ARG 58 CO 0.00 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 1x4a n GLY 59 N -0.01 -1.28 7.00 8.12 0.00 -1.26 -4.99 105.19 112.77 1x4a n GLY 59 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.19 0.95 3.78 -0.02 0.00 -1.26 -4.77 105.19 104.06 1x4a n GLY 60 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 0.52 -0.03 1.61 0.04 -1.26 -4.99 135.00 130.89 1x4a s PRO 61 Ca 0.00 0.05 -0.30 0.00 0.04 0.00 0.00 61.00 60.79 1x4a s PRO 61 Cb 0.00 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1x4a s PRO 61 CO 0.00 -2.57 1.21 -1.25 0.04 0.00 0.00 177.00 174.42 1x4a s PRO 62 N -5.45 4.37 0.15 0.56 0.04 -1.26 -4.92 135.00 128.49 1x4a s PRO 62 Ca 0.68 1.70 0.08 0.00 0.04 0.00 0.00 61.00 63.50 1x4a s PRO 62 Cb -0.11 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 1x4a s PRO 62 CO 0.54 -0.41 -0.19 -0.59 0.04 0.00 0.00 177.00 176.39 1x4a s PHE 63 N 2.00 1.81 0.14 0.56 -0.71 -1.26 -3.59 117.98 116.93 1x4a s PHE 63 Ca 0.57 -0.46 -0.15 0.00 -1.04 0.00 0.00 56.93 55.85 1x4a s PHE 63 Cb -0.26 -0.92 0.02 0.00 -1.21 0.00 0.00 43.02 40.66 1x4a s PHE 63 CO 0.24 0.31 0.38 0.00 -1.34 0.00 0.00 175.22 174.81 1x4a s ALA 64 N -1.89 -0.73 -0.29 1.99 0.00 -1.01 -1.26 121.76 118.56 1x4a s ALA 64 Ca 0.14 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1x4a s ALA 64 Cb -0.06 0.72 0.06 0.00 0.00 0.00 0.00 23.12 23.83 1x4a s ALA 64 CO 0.06 -0.66 -0.04 -0.06 0.00 0.00 0.00 175.76 175.06 1x4a s PHE 65 N -3.84 3.32 -0.13 0.00 0.40 0.41 -0.91 117.98 117.21 1x4a s PHE 65 Ca 0.06 -2.20 -0.22 0.00 -0.60 0.00 0.00 56.93 53.96 1x4a s PHE 65 Cb 0.02 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 1x4a s PHE 65 CO -0.09 -0.86 0.68 0.08 0.70 0.00 0.00 175.22 175.74 1x4a s VAL 66 N 1.15 5.02 -0.06 -0.44 1.01 0.13 -1.46 120.40 125.75 1x4a s VAL 66 Ca -0.05 1.35 -0.06 0.00 0.00 0.00 0.00 61.98 63.22 1x4a s VAL 66 Cb -0.20 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1x4a s VAL 66 CO -0.04 0.17 0.19 -0.70 0.00 0.00 0.00 175.10 174.72 1x4a s GLU 67 N 1.41 3.48 0.10 2.72 2.12 0.73 -0.38 118.70 128.89 1x4a s GLU 67 Ca 0.34 -0.16 0.09 0.00 0.36 0.00 0.00 54.97 55.60 1x4a s GLU 67 Cb -0.17 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1x4a s GLU 67 CO 0.14 0.72 -0.22 -0.06 -0.54 0.00 0.00 175.26 175.30 1x4a s PHE 68 N -1.18 2.45 0.23 5.30 0.08 -0.09 -1.43 117.98 123.33 1x4a s PHE 68 Ca 0.22 -0.31 -0.06 0.00 0.12 0.00 0.00 56.93 56.90 1x4a s PHE 68 Cb -0.13 -1.33 0.21 0.00 -0.57 0.00 0.00 43.02 41.20 1x4a s PHE 68 CO 0.11 0.33 1.73 0.93 -0.10 0.00 0.00 175.22 178.22 1x4a h GLU 69 N 3.98 0.98 -6.01 0.44 4.39 -1.88 -3.44 114.58 113.05 1x4a h GLU 69 Ca -0.50 -0.25 -0.54 0.00 0.34 0.00 0.00 59.36 58.41 1x4a h GLU 69 Cb 1.16 -0.12 -0.17 0.00 -0.10 0.00 0.00 28.75 29.53 1x4a h GLU 69 CO 0.44 0.92 -0.78 -0.51 -1.16 0.00 0.00 179.01 177.92 1x4a s ASP 70 N -6.55 2.90 -0.07 1.42 1.11 -1.26 -5.06 116.67 109.15 1x4a s ASP 70 Ca -0.11 -0.91 -0.26 0.00 0.18 0.00 0.00 52.55 51.45 1x4a s ASP 70 Cb 0.15 -0.19 -0.23 0.00 1.07 0.00 0.00 42.92 43.72 1x4a s ASP 70 CO 0.83 -0.02 1.03 1.55 1.18 0.00 0.00 175.17 179.74 1x4a h PRO 71 N 2.99 0.07 -0.95 8.23 0.13 -1.87 -2.59 132.00 138.01 1x4a h PRO 71 Ca -0.42 -0.07 0.12 0.00 -0.87 0.00 0.00 66.00 64.77 1x4a h PRO 71 Cb 1.22 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1x4a h PRO 71 CO 0.54 0.80 -0.45 0.54 -0.23 0.00 0.00 178.00 179.20 1x4a n ARG 72 N -4.65 -0.30 0.11 0.86 1.74 -1.26 0.05 116.66 113.20 1x4a n ARG 72 Ca -0.09 1.45 -0.13 0.00 -0.77 0.00 0.00 57.85 58.31 1x4a n ARG 72 Cb 0.41 -2.15 -0.08 0.00 -1.02 0.00 0.00 32.46 29.62 1x4a n ARG 72 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1x4a h ASP 73 N 0.00 -0.20 -1.62 0.55 3.32 -1.99 0.87 116.42 117.35 1x4a h ASP 73 Ca 0.26 -0.12 0.47 0.00 0.02 0.00 0.00 57.03 57.66 1x4a h ASP 73 Cb 0.50 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.03 1x4a h ASP 73 CO -0.92 0.00 1.16 0.00 -1.72 0.00 0.00 179.24 177.76 1x4a h ALA 74 N 0.41 3.50 0.00 3.45 0.00 -0.10 0.43 119.26 126.96 1x4a h ALA 74 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1x4a h ALA 74 Cb 0.30 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1x4a h ALA 74 CO 0.04 -1.98 -0.16 0.93 0.00 0.00 0.00 179.25 178.08 1x4a h GLU 75 N 0.01 0.00 -1.58 0.00 5.08 0.42 -3.02 114.58 115.49 1x4a h GLU 75 Ca 0.78 0.00 0.50 0.00 -1.00 0.00 0.00 59.36 59.65 1x4a h GLU 75 Cb 3.10 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 32.23 1x4a h GLU 75 CO -0.04 0.00 1.07 -0.44 -1.00 0.00 0.00 179.01 178.60 1x4a h ASP 76 N -0.65 0.13 0.18 1.42 3.32 0.62 1.53 116.42 122.97 1x4a h ASP 76 Ca 0.00 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1x4a h ASP 76 Cb 0.16 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1x4a h ASP 76 CO 0.00 -0.15 -0.09 0.00 -1.72 0.00 0.00 179.24 177.29 1x4a h ALA 77 N 1.39 -0.60 -0.84 3.45 0.00 -0.34 -2.73 119.26 119.59 1x4a h ALA 77 Ca 0.88 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.94 1x4a h ALA 77 Cb 3.11 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 20.94 1x4a h ALA 77 CO -0.28 -0.58 0.57 -0.24 0.00 0.00 0.00 179.25 178.72 1x4a h VAL 78 N -0.39 0.67 0.00 0.00 3.04 -0.47 1.50 116.25 120.60 1x4a h VAL 78 Ca -0.02 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1x4a h VAL 78 Cb 0.18 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 1x4a h VAL 78 CO 0.04 0.05 0.00 -1.22 -1.01 0.00 0.00 177.57 175.43 1x4a n TYR 79 N -4.44 0.83 0.01 3.17 4.02 0.49 -2.49 117.16 118.74 1x4a n TYR 79 Ca 0.17 0.36 0.00 0.00 -0.01 0.00 0.00 57.90 58.43 1x4a n TYR 79 Cb 0.72 -1.09 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 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 -0.51 0.07 0.60 2.72 0.00 0.41 -4.73 105.19 103.74 1x4a n GLY 80 Ca 0.01 0.00 0.46 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.67 -0.01 -1.54 1.61 5.12 0.41 -4.07 116.66 115.50 1x4a n ARG 81 Ca 0.00 1.09 -0.36 0.00 -1.93 0.00 0.00 57.85 56.65 1x4a n ARG 81 Cb 0.00 -2.37 -0.04 0.00 -1.16 0.00 0.00 32.46 28.89 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 -4.11 2.09 -0.07 0.55 -0.08 -1.04 -0.74 116.55 113.15 1x4a n ASP 82 Ca 0.41 -0.46 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1x4a n ASP 82 Cb 1.77 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 43.71 1x4a n ASP 82 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4a n GLY 83 N 6.07 0.97 3.88 0.27 0.00 -0.98 -4.86 105.19 110.53 1x4a n GLY 83 Ca 0.40 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.11 3.43 -0.55 1.61 5.04 0.09 -4.88 117.35 119.99 1x4a s TYR 84 Ca 0.00 0.84 -0.18 0.00 -2.44 0.00 0.00 57.07 55.29 1x4a s TYR 84 Cb 0.00 -2.24 0.10 0.00 0.35 0.00 0.00 41.96 40.17 1x4a s TYR 84 CO 0.00 0.26 0.60 0.34 -1.34 0.00 0.00 175.55 175.41 1x4a s ASP 85 N -2.45 6.19 -0.42 4.32 2.15 -1.26 -2.26 116.67 122.93 1x4a s ASP 85 Ca 0.47 -1.44 -0.12 0.00 0.43 0.00 0.00 52.55 51.89 1x4a s ASP 85 Cb -0.11 -2.26 0.06 0.00 -0.30 0.00 0.00 42.92 40.31 1x4a s ASP 85 CO 0.22 -0.96 0.28 -0.47 -0.17 0.00 0.00 175.17 174.08 1x4a s TYR 86 N 2.25 3.28 -1.29 -5.34 6.14 0.13 -4.45 117.35 118.09 1x4a s TYR 86 Ca 0.09 -1.17 0.00 0.00 0.64 0.00 0.00 57.07 56.63 1x4a s TYR 86 Cb -0.25 -2.84 0.00 0.00 0.42 0.00 0.00 41.96 39.29 1x4a s TYR 86 CO 0.06 -0.77 0.00 -3.47 0.64 0.00 0.00 175.55 172.02 1x4a n ASP 87 N 5.03 -4.29 0.00 4.32 -0.08 -1.26 0.18 116.55 120.45 1x4a n ASP 87 Ca -0.11 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1x4a n ASP 87 Cb 0.44 -3.68 0.00 0.00 2.34 0.00 0.00 41.12 40.23 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 -0.75 3.04 3.74 0.27 0.00 -1.26 -5.04 105.19 105.19 1x4a n GLY 88 Ca -0.17 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.56 2.29 -0.17 1.61 1.51 0.13 -4.85 117.35 116.31 1x4a s TYR 89 Ca 0.00 1.54 -0.06 0.00 -1.01 0.00 0.00 57.07 57.54 1x4a s TYR 89 Cb 0.00 -3.46 -0.04 0.00 -0.11 0.00 0.00 41.96 38.35 1x4a s TYR 89 CO 0.00 -2.32 0.04 0.50 -1.11 0.00 0.00 175.55 172.65 1x4a s ARG 90 N -3.59 3.90 0.13 -0.62 3.52 -1.26 0.22 118.95 121.26 1x4a s ARG 90 Ca 0.76 -0.38 0.03 0.00 -0.13 0.00 0.00 55.73 56.01 1x4a s ARG 90 Cb -0.29 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 1x4a s ARG 90 CO 0.38 0.27 0.17 -0.51 -0.81 0.00 0.00 175.30 174.80 1x4a s LEU 91 N 0.35 4.00 -0.33 -0.88 1.43 -0.96 -4.48 118.68 117.82 1x4a s LEU 91 Ca 0.01 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1x4a s LEU 91 Cb -0.13 -2.61 0.10 0.00 0.03 0.00 0.00 46.19 43.58 1x4a s LEU 91 CO 0.01 0.09 0.07 -0.13 0.23 0.00 0.00 176.35 176.62 1x4a s ARG 92 N -2.94 1.20 -0.24 1.70 0.52 0.97 -2.33 118.95 117.83 1x4a s ARG 92 Ca 0.32 -1.57 -0.13 0.00 -0.52 0.00 0.00 55.73 53.83 1x4a s ARG 92 Cb -0.11 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 1x4a s ARG 92 CO 0.25 -0.95 0.27 0.08 0.02 0.00 0.00 175.30 174.97 1x4a s VAL 93 N 1.17 5.27 -0.01 3.52 1.01 -1.26 -0.42 120.40 129.68 1x4a s VAL 93 Ca 0.10 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1x4a s VAL 93 Cb -0.18 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.67 1x4a s VAL 93 CO -0.14 0.27 0.67 -1.83 0.00 0.00 0.00 175.10 174.06 1x4a s GLU 94 N 1.46 1.10 0.46 2.72 -1.05 -0.38 -4.53 118.70 118.48 1x4a s GLU 94 Ca 0.12 0.13 -0.22 0.00 -0.15 0.00 0.00 54.97 54.85 1x4a s GLU 94 Cb -0.15 0.52 -0.08 0.00 -0.44 0.00 0.00 34.13 33.97 1x4a s GLU 94 CO 0.08 -0.37 1.05 -0.06 0.95 0.00 0.00 175.26 176.91 1x4a s PHE 95 N -1.65 3.07 0.08 4.83 0.08 -1.26 -2.11 117.98 121.02 1x4a s PHE 95 Ca -0.09 1.60 -0.14 0.00 0.12 0.00 0.00 56.93 58.42 1x4a s PHE 95 Cb -0.00 -3.11 -0.21 0.00 -0.57 0.00 0.00 43.02 39.13 1x4a s PHE 95 CO 0.06 -0.83 1.22 -1.00 -0.10 0.00 0.00 175.22 174.57 1x4a h PRO 96 N 1.89 0.72 -6.19 0.24 0.13 -1.94 -3.46 132.00 123.39 1x4a h PRO 96 Ca -0.49 -0.70 -0.53 0.00 -0.87 0.00 0.00 66.00 63.41 1x4a h PRO 96 Cb 1.22 0.18 -0.07 0.00 0.13 0.00 0.00 31.00 32.47 1x4a h PRO 96 CO 0.60 1.29 -0.56 1.03 -0.23 0.00 0.00 178.00 180.13 1x4a s ARG 97 N -3.47 2.64 -0.03 0.86 0.52 -1.26 -4.95 118.95 113.26 1x4a s ARG 97 Ca -0.10 -1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 53.56 1x4a s ARG 97 Cb 0.07 -2.38 0.11 0.00 0.52 0.00 0.00 34.95 33.27 1x4a s ARG 97 CO 0.91 0.34 0.94 -1.54 0.02 0.00 0.00 175.30 175.97 1x4a s SER 98 N -3.80 -0.32 0.00 0.23 1.04 -1.26 -5.04 113.70 104.55 1x4a s SER 98 Ca 0.33 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1x4a s SER 98 Cb -0.07 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1x4a s SER 98 CO 0.23 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1x4a n GLY 99 N -0.22 -0.12 3.65 7.32 0.00 -1.26 -5.12 105.19 109.44 1x4a n GLY 99 Ca -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.21 0.00 1.61 3.52 -1.26 -5.15 118.95 117.88 1x4a s ARG 100 Ca 0.00 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1x4a s ARG 100 Cb 0.00 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1x4a s ARG 100 CO 0.00 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 1x4a n GLY 101 N 3.05 0.48 1.75 8.12 0.00 -1.26 -5.14 105.19 112.19 1x4a n GLY 101 Ca -0.16 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 4.15 -7.37 0.00 2.61 -1.04 -1.26 -5.06 114.28 106.31 1x4a n THR 102 Ca 0.00 2.61 0.00 0.00 -2.04 0.00 0.00 64.05 64.62 1x4a n THR 102 Cb 0.00 -3.80 0.00 0.00 -1.82 0.00 0.00 70.33 64.71 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 0.79 -1.15 0.95 3.41 0.00 -1.26 -5.17 105.19 102.76 1x4a n GLY 103 Ca 0.00 0.59 0.12 0.00 0.00 0.00 0.00 46.02 46.72 1x4a n GLY 103 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4a n SER 104 N 0.00 -5.25 0.00 1.61 7.64 -1.26 -5.06 113.62 111.29 1x4a n SER 104 Ca 0.00 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1x4a n SER 104 Cb 0.00 -3.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.97 1x4a n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4a n GLY 105 N -3.57 -0.84 3.58 0.23 0.00 -1.26 -5.11 105.19 98.22 1x4a n GLY 105 Ca -0.06 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 3.31 0.16 1.61 0.04 -1.26 -4.97 135.00 133.88 1x4a s PRO 106 Ca 0.00 0.63 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 1x4a s PRO 106 Cb 0.00 -4.13 -0.08 0.00 0.04 0.00 0.00 34.50 30.33 1x4a s PRO 106 CO 0.00 -1.92 1.27 -1.12 0.04 0.00 0.00 177.00 175.27 1x4a s SER 107 N 4.72 6.97 0.07 6.66 0.01 -1.26 -4.91 113.70 125.96 1x4a s SER 107 Ca 0.57 2.27 -0.01 0.00 1.31 0.00 0.00 55.95 60.09 1x4a s SER 107 Cb -0.12 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.51 1x4a s SER 107 CO 0.27 -0.49 -0.02 -1.54 0.41 0.00 0.00 173.24 171.87 1x4a n SER 108 N 3.05 1.00 0.00 2.44 3.41 -1.26 -5.36 113.62 116.90 1x4a n SER 108 Ca 0.07 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1x4a n SER 108 Cb 0.44 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1x4a n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49