#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 -0.25 0.17 1.61 1.04 -1.26 -5.19 113.70 109.83 1x4a s SER 2 Ca 0.00 0.45 -0.24 0.00 0.48 0.00 0.00 55.95 56.63 1x4a s SER 2 Cb 0.00 0.67 0.06 0.00 0.10 0.00 0.00 66.02 66.85 1x4a s SER 2 CO 0.00 -0.07 0.91 -0.55 0.98 0.00 0.00 173.24 174.51 1x4a s SER 3 N 0.48 -0.20 0.00 7.02 0.15 -1.26 -5.16 113.70 114.72 1x4a s SER 3 Ca 0.01 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1x4a s SER 3 Cb -0.04 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1x4a s SER 3 CO -0.12 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 173.97 1x4a n GLY 4 N -0.46 -0.57 1.32 9.45 0.00 -1.26 -5.17 105.19 108.50 1x4a n GLY 4 Ca -0.06 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 45.85 1x4a n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4a n SER 5 N 0.00 -6.93 -3.60 1.61 7.64 -1.26 -5.06 113.62 106.02 1x4a n SER 5 Ca 0.00 1.12 -0.04 0.00 1.01 0.00 0.00 58.87 60.96 1x4a n SER 5 Cb 0.00 -4.40 -0.02 0.00 -1.01 0.00 0.00 64.21 58.78 1x4a n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4a s SER 6 N -6.81 -0.11 0.00 6.43 0.15 -1.26 -5.19 113.70 106.91 1x4a s SER 6 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1x4a s SER 6 Cb 0.00 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1x4a s SER 6 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1x4a n GLY 7 N -0.09 2.37 3.32 9.45 0.00 -1.26 -5.04 105.19 113.93 1x4a n GLY 7 Ca 0.01 -1.72 -0.46 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.73 3.08 -0.22 1.61 1.00 -1.26 -5.00 119.30 116.77 1x4a s MET 8 Ca 0.00 -1.79 -0.16 0.00 0.00 0.00 0.00 55.69 53.73 1x4a s MET 8 Cb 0.00 -4.32 0.06 0.00 0.00 0.00 0.00 34.83 30.58 1x4a s MET 8 CO 0.00 -1.34 0.57 -1.12 0.00 0.00 0.00 175.02 173.13 1x4a s SER 9 N 3.41 -0.68 0.23 3.03 0.01 -1.26 -5.17 113.70 113.26 1x4a s SER 9 Ca 0.05 1.20 0.05 0.00 1.31 0.00 0.00 55.95 58.57 1x4a s SER 9 Cb -0.27 1.14 -0.05 0.00 0.21 0.00 0.00 66.02 67.05 1x4a s SER 9 CO 0.01 -0.21 -0.06 -0.83 0.41 0.00 0.00 173.24 172.57 1x4a s GLY 10 N 0.94 1.55 0.00 3.44 0.00 -1.26 -5.10 107.32 106.89 1x4a s GLY 10 Ca -0.05 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.92 1x4a s GLY 10 CO -0.08 -1.73 0.00 0.61 0.00 0.00 0.00 173.10 171.90 1x4a n GLY 11 N -0.43 -0.00 0.98 0.20 0.00 -1.26 -5.09 105.19 99.59 1x4a n GLY 11 Ca -0.06 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.88 3.69 -0.02 0.00 -1.26 -5.05 105.19 103.44 1x4a n GLY 12 Ca 0.00 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 1x4a n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x4a s VAL 13 N -2.65 5.01 0.33 1.61 1.01 -1.26 -5.03 120.40 119.41 1x4a s VAL 13 Ca 0.00 1.41 -0.27 0.00 0.00 0.00 0.00 61.98 63.11 1x4a s VAL 13 Cb 0.00 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 1x4a s VAL 13 CO 0.00 0.17 1.10 -0.51 0.00 0.00 0.00 175.10 175.86 1x4a s ILE 14 N 1.35 3.49 0.32 2.22 2.07 -1.26 -4.91 121.20 124.48 1x4a s ILE 14 Ca 0.35 1.36 0.08 0.00 -1.41 0.00 0.00 60.65 61.03 1x4a s ILE 14 Cb -0.17 -3.81 0.35 0.00 0.13 0.00 0.00 42.46 38.95 1x4a s ILE 14 CO 0.15 0.22 1.62 0.08 -1.91 0.00 0.00 174.94 175.10 1x4a h ARG 15 N 3.29 0.14 0.00 3.50 0.11 -2.08 -3.46 114.38 115.87 1x4a h ARG 15 Ca -0.47 -0.01 0.27 0.00 0.10 0.00 0.00 59.98 59.87 1x4a h ARG 15 Cb 1.22 -0.03 -0.07 0.00 1.11 0.00 0.00 29.97 32.20 1x4a h ARG 15 CO 0.65 0.09 -0.36 0.41 0.10 0.00 0.00 179.97 180.86 1x4a n GLY 16 N -1.37 -1.53 0.16 0.08 0.00 -1.26 -4.40 105.19 96.87 1x4a n GLY 16 Ca 0.27 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 1x4a n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4a h PRO 17 N 0.00 0.50 -4.84 1.61 0.13 -1.94 -3.50 132.00 123.97 1x4a h PRO 17 Ca 0.02 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1x4a h PRO 17 Cb 0.92 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1x4a h PRO 17 CO 0.01 1.13 -0.73 0.00 -0.23 0.00 0.00 178.00 178.18 1x4a n ALA 18 N -2.59 -3.31 -1.84 -0.56 0.00 -1.26 -5.06 120.51 105.89 1x4a n ALA 18 Ca -0.10 0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1x4a n ALA 18 Cb 0.69 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1x4a n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4a n GLY 19 N 0.34 1.05 3.12 0.00 0.00 -1.26 -5.12 105.19 103.32 1x4a n GLY 19 Ca 0.03 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 1.00 -1.12 0.19 1.61 2.47 -1.26 -5.10 114.94 112.73 1x4a s ASN 20 Ca 0.00 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.23 1x4a s ASN 20 Cb 0.00 1.62 0.00 0.00 -1.45 0.00 0.00 41.25 41.42 1x4a s ASN 20 CO 0.00 -0.18 0.00 0.59 -3.72 0.00 0.00 177.10 173.79 1x4a n ASN 21 N 4.98 -8.67 -3.88 -4.21 4.13 -1.26 -4.97 115.26 101.38 1x4a n ASN 21 Ca 0.07 1.34 -0.30 0.00 1.68 0.00 0.00 54.58 57.37 1x4a n ASN 21 Cb 0.57 -4.89 -0.15 0.00 -1.54 0.00 0.00 39.78 33.77 1x4a n ASN 21 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1x4a s ASP 22 N -0.50 4.33 -0.14 6.41 1.01 -1.26 -4.90 116.67 121.63 1x4a s ASP 22 Ca 0.00 -2.15 0.15 0.00 0.71 0.00 0.00 52.55 51.26 1x4a s ASP 22 Cb 0.00 -1.31 0.38 0.00 1.01 0.00 0.00 42.92 43.01 1x4a s ASP 22 CO 0.00 -0.36 1.19 0.00 0.21 0.00 0.00 175.17 176.21 1x4a s ARG 24 N -2.23 3.52 0.13 0.00 1.81 -1.26 -0.13 118.95 120.79 1x4a s ARG 24 Ca 0.34 -0.59 0.09 0.00 -1.72 0.00 0.00 55.73 53.85 1x4a s ARG 24 Cb 0.34 -2.86 -0.04 0.00 -0.45 0.00 0.00 34.95 31.94 1x4a s ARG 24 CO -0.08 0.13 -0.22 0.96 -0.68 0.00 0.00 175.30 175.41 1x4a s ILE 25 N 0.63 1.92 -0.11 1.52 -4.36 0.12 -4.52 121.20 116.39 1x4a s ILE 25 Ca -0.04 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 1x4a s ILE 25 Cb -0.15 -1.78 -0.02 0.00 1.25 0.00 0.00 42.46 41.77 1x4a s ILE 25 CO 0.03 -0.10 -0.13 -0.47 0.24 0.00 0.00 174.94 174.51 1x4a s TYR 26 N -1.41 2.80 -0.09 1.37 6.14 -0.73 -0.15 117.35 125.29 1x4a s TYR 26 Ca 0.12 -0.51 0.02 0.00 0.64 0.00 0.00 57.07 57.33 1x4a s TYR 26 Cb -0.09 -1.80 -0.02 0.00 0.42 0.00 0.00 41.96 40.47 1x4a s TYR 26 CO 0.06 -0.11 -0.13 0.08 0.64 0.00 0.00 175.55 176.09 1x4a s VAL 27 N 0.10 3.12 0.32 3.14 1.01 -0.28 -1.14 120.40 126.68 1x4a s VAL 27 Ca -0.06 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1x4a s VAL 27 Cb -0.15 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1x4a s VAL 27 CO 0.04 0.56 0.21 0.61 0.00 0.00 0.00 175.10 176.52 1x4a n GLY 28 N 2.86 3.15 2.79 4.51 0.00 0.60 -2.38 105.19 116.72 1x4a n GLY 28 Ca -0.18 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.75 -5.68 -4.89 1.61 4.13 -1.26 -0.32 115.26 107.11 1x4a n ASN 29 Ca 0.02 -0.16 -0.29 0.00 1.68 0.00 0.00 54.58 55.83 1x4a n ASN 29 Cb 0.54 -4.65 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 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 -6.37 3.48 0.77 3.41 1.43 -1.24 -4.16 118.68 115.99 1x4a s LEU 30 Ca 0.18 1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 54.32 1x4a s LEU 30 Cb -0.08 -4.13 0.05 0.00 0.03 0.00 0.00 46.19 42.05 1x4a s LEU 30 CO 0.23 -0.69 1.09 -2.16 0.23 0.00 0.00 176.35 175.05 1x4a s PRO 31 N -4.87 2.35 0.35 1.29 0.04 -1.26 -4.24 135.00 128.65 1x4a s PRO 31 Ca 0.51 0.74 0.18 0.00 0.04 0.00 0.00 61.00 62.47 1x4a s PRO 31 Cb -0.11 -1.94 0.48 0.00 0.04 0.00 0.00 34.50 32.98 1x4a s PRO 31 CO 0.48 -1.46 1.64 -1.00 0.04 0.00 0.00 177.00 176.69 1x4a h PRO 32 N -0.97 0.00 -1.02 0.56 0.13 -1.97 -3.11 132.00 125.62 1x4a h PRO 32 Ca -0.46 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.02 1x4a h PRO 32 Cb 1.25 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.06 1x4a h PRO 32 CO 0.58 0.41 0.45 -3.47 -0.23 0.00 0.00 178.00 175.74 1x4a n ASP 33 N -3.39 6.97 -4.90 1.44 -0.08 -1.26 -4.99 116.55 110.34 1x4a n ASP 33 Ca 0.01 -3.78 -0.29 0.00 -1.51 0.00 0.00 54.79 49.22 1x4a n ASP 33 Cb 0.58 -0.82 -0.02 0.00 2.34 0.00 0.00 41.12 43.20 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 -4.81 4.91 0.01 5.18 1.10 -1.17 -5.10 121.20 121.32 1x4a s ILE 34 Ca 0.60 0.27 0.04 0.00 -0.51 0.00 0.00 60.65 61.06 1x4a s ILE 34 Cb 0.48 -3.76 -0.01 0.00 0.15 0.00 0.00 42.46 39.31 1x4a s ILE 34 CO -0.03 -0.51 -0.12 -0.13 -2.11 0.00 0.00 174.94 172.04 1x4a s ARG 35 N -3.93 0.91 0.24 3.50 1.81 -1.26 -5.03 118.95 115.18 1x4a s ARG 35 Ca 0.47 -0.55 -0.05 0.00 -1.72 0.00 0.00 55.73 53.89 1x4a s ARG 35 Cb -0.10 -0.89 0.38 0.00 -0.45 0.00 0.00 34.95 33.89 1x4a s ARG 35 CO 0.34 0.23 1.81 1.15 -0.68 0.00 0.00 175.30 178.14 1x4a h THR 36 N 4.72 0.91 0.76 0.02 2.02 -1.98 0.16 112.91 119.51 1x4a h THR 36 Ca -0.35 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 1x4a h THR 36 Cb 1.18 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1x4a h THR 36 CO 0.47 0.14 -0.36 0.50 0.37 0.00 0.00 175.52 176.63 1x4a h LYS 37 N 0.76 -0.98 -0.92 6.66 1.63 -1.97 0.47 116.57 122.22 1x4a h LYS 37 Ca 0.38 0.07 0.21 0.00 -0.85 0.00 0.00 60.65 60.47 1x4a h LYS 37 Cb 0.35 0.22 -0.12 0.00 -0.60 0.00 0.00 32.23 32.08 1x4a h LYS 37 CO -0.25 -0.64 0.46 -0.44 -3.45 0.00 0.00 179.45 175.14 1x4a h ASP 38 N -1.10 0.47 0.59 4.20 5.19 -1.86 1.50 116.42 125.40 1x4a h ASP 38 Ca -0.10 0.14 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 1x4a h ASP 38 Cb 0.80 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 1x4a h ASP 38 CO 0.17 0.07 -0.43 0.40 -3.12 0.00 0.00 179.24 176.33 1x4a h ILE 39 N 0.50 1.15 0.30 0.35 2.04 -0.33 -2.17 117.51 119.35 1x4a h ILE 39 Ca 0.57 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1x4a h ILE 39 Cb 1.03 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1x4a h ILE 39 CO -0.48 0.42 -0.15 -0.08 0.00 0.00 0.00 178.15 177.86 1x4a h GLU 40 N 0.00 -0.39 -1.02 2.37 4.81 0.68 -2.90 114.58 118.13 1x4a h GLU 40 Ca -0.00 0.03 0.29 0.00 -0.13 0.00 0.00 59.36 59.54 1x4a h GLU 40 Cb 0.84 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.26 1x4a h GLU 40 CO 0.06 -0.26 0.72 0.22 -0.73 0.00 0.00 179.01 179.02 1x4a h ASP 41 N -0.78 0.06 0.32 1.04 3.58 -0.43 0.42 116.42 120.63 1x4a h ASP 41 Ca -0.04 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1x4a h ASP 41 Cb 0.31 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 1x4a h ASP 41 CO 0.07 0.01 -0.20 0.58 -2.88 0.00 0.00 179.24 176.82 1x4a h VAL 42 N 0.05 0.00 0.00 2.25 2.07 -1.36 -2.55 116.25 116.71 1x4a h VAL 42 Ca 0.50 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.00 1x4a h VAL 42 Cb 1.88 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1x4a h VAL 42 CO -0.04 0.00 -0.07 -0.26 0.02 0.00 0.00 177.57 177.22 1x4a h PHE 43 N -0.48 0.00 0.00 1.57 -1.00 -1.00 -1.77 116.94 114.26 1x4a h PHE 43 Ca -0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1x4a h PHE 43 Cb 0.39 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1x4a h PHE 43 CO 0.01 0.07 0.00 0.98 -1.61 0.00 0.00 178.31 177.76 1x4a n TYR 44 N -3.45 0.56 0.26 -0.55 4.19 0.14 -0.85 117.16 117.46 1x4a n TYR 44 Ca -0.02 0.29 0.11 0.00 3.31 0.00 0.00 57.90 61.59 1x4a n TYR 44 Cb 0.21 -0.96 0.50 0.00 0.49 0.00 0.00 39.34 39.58 1x4a n TYR 44 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 1x4a n LYS 45 N -2.08 0.15 -0.07 2.98 2.85 -0.67 -3.29 118.16 118.04 1x4a n LYS 45 Ca -0.01 0.53 -0.08 0.00 -1.05 0.00 0.00 58.31 57.70 1x4a n LYS 45 Cb 0.03 -1.88 -0.03 0.00 -0.65 0.00 0.00 35.03 32.50 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 -2.18 0.00 0.00 5.58 4.01 -0.02 -5.12 117.16 119.43 1x4a n TYR 46 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1x4a n TYR 46 Cb 0.11 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 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 1.75 4.22 3.46 2.72 0.00 -1.21 -5.12 105.19 111.01 1x4a n GLY 47 Ca -0.13 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.61 2.57 0.07 4.61 0.00 -1.26 -4.40 121.76 121.74 1x4a s ALA 48 Ca 0.00 -1.92 0.08 0.00 0.00 0.00 0.00 51.96 50.12 1x4a s ALA 48 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1x4a s ALA 48 CO 0.00 0.07 -0.19 0.42 0.00 0.00 0.00 175.76 176.06 1x4a s ILE 49 N -2.78 2.76 -0.09 0.00 1.01 -1.26 -3.90 121.20 116.94 1x4a s ILE 49 Ca 0.29 -1.34 0.09 0.00 0.00 0.00 0.00 60.65 59.69 1x4a s ILE 49 Cb 0.01 -2.20 -0.24 0.00 0.01 0.00 0.00 42.46 40.04 1x4a s ILE 49 CO 0.13 0.24 0.46 -1.14 0.00 0.00 0.00 174.94 174.63 1x4a n ARG 50 N 1.24 0.67 -3.64 2.79 0.63 0.36 -4.89 116.66 113.82 1x4a n ARG 50 Ca -0.16 0.24 -0.02 0.00 -0.92 0.00 0.00 57.85 56.98 1x4a n ARG 50 Cb 0.52 -1.72 -0.02 0.00 0.45 0.00 0.00 32.46 31.69 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 -6.23 -0.03 -0.16 6.15 -1.08 -1.20 -5.00 116.67 109.12 1x4a s ASP 51 Ca -0.11 -0.00 -0.03 0.00 -0.52 0.00 0.00 52.55 51.90 1x4a s ASP 51 Cb 0.07 0.03 0.05 0.00 -1.46 0.00 0.00 42.92 41.61 1x4a s ASP 51 CO 0.80 -0.04 0.03 -0.63 0.52 0.00 0.00 175.17 175.84 1x4a s ILE 52 N -2.08 0.46 -0.39 4.11 1.01 -1.26 -1.25 121.20 121.79 1x4a s ILE 52 Ca 0.12 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 1x4a s ILE 52 Cb -0.01 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.61 1x4a s ILE 52 CO -0.03 -0.08 0.28 -0.62 0.00 0.00 0.00 174.94 174.50 1x4a s ASP 53 N 1.90 6.05 -0.20 3.58 2.15 -0.33 -4.91 116.67 124.91 1x4a s ASP 53 Ca 0.01 -0.84 -0.04 0.00 0.43 0.00 0.00 52.55 52.11 1x4a s ASP 53 Cb -0.16 -2.14 -0.02 0.00 -0.30 0.00 0.00 42.92 40.31 1x4a s ASP 53 CO -0.07 -0.41 -0.02 -0.22 -0.17 0.00 0.00 175.17 174.27 1x4a s LEU 54 N 1.67 3.08 -0.05 -1.34 2.96 -1.26 0.19 118.68 123.92 1x4a s LEU 54 Ca 0.05 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1x4a s LEU 54 Cb -0.19 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1x4a s LEU 54 CO 0.10 0.04 0.14 0.11 -1.32 0.00 0.00 176.35 175.41 1x4a h LYS 55 N 7.69 -0.08 -6.31 1.98 1.79 -1.52 -3.49 116.57 116.62 1x4a h LYS 55 Ca -0.37 0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.02 1x4a h LYS 55 Cb 1.17 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1x4a h LYS 55 CO 0.60 -0.06 -1.04 -1.71 -1.08 0.00 0.00 179.45 176.16 1x4a n ASN 56 N -3.81 -6.45 -2.67 0.86 2.85 -1.24 -4.98 115.26 99.82 1x4a n ASN 56 Ca -0.01 0.35 -0.04 0.00 -0.11 0.00 0.00 54.58 54.77 1x4a n ASN 56 Cb 0.03 -1.91 0.05 0.00 1.24 0.00 0.00 39.78 39.19 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 0.90 0.10 -1.34 1.20 3.00 -1.26 -5.06 116.66 114.19 1x4a n ARG 57 Ca -0.02 -0.75 0.16 0.00 -0.00 0.00 0.00 57.85 57.24 1x4a n ARG 57 Cb 0.51 0.06 -0.08 0.00 0.00 0.00 0.00 32.46 32.95 1x4a n ARG 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1x4a n ARG 58 N 2.31 -2.90 -0.86 -0.14 1.74 -1.26 -5.00 116.66 110.55 1x4a n ARG 58 Ca 0.09 2.32 0.00 0.00 -0.77 0.00 0.00 57.85 59.49 1x4a n ARG 58 Cb 0.67 -3.48 0.00 0.00 -1.02 0.00 0.00 32.46 28.63 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 -4.16 0.60 7.00 -0.13 0.00 -1.26 -4.96 105.19 102.29 1x4a n GLY 59 Ca -0.07 -0.48 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 -0.74 -0.83 3.78 -0.02 0.00 -1.26 -4.90 105.19 101.23 1x4a n GLY 60 Ca 0.00 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 0.69 -0.04 1.61 0.04 -1.26 -4.96 135.00 131.08 1x4a s PRO 61 Ca 0.00 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.86 1x4a s PRO 61 Cb 0.00 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1x4a s PRO 61 CO 0.00 -2.47 1.21 -1.25 0.04 0.00 0.00 177.00 174.53 1x4a s PRO 62 N -5.40 4.36 0.17 0.56 0.04 -1.26 -4.89 135.00 128.58 1x4a s PRO 62 Ca 0.67 1.70 0.09 0.00 0.04 0.00 0.00 61.00 63.50 1x4a s PRO 62 Cb -0.12 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 1x4a s PRO 62 CO 0.54 -0.43 -0.20 -0.59 0.04 0.00 0.00 177.00 176.36 1x4a s PHE 63 N 2.07 1.98 0.17 0.56 -0.71 -1.26 -3.65 117.98 117.13 1x4a s PHE 63 Ca 0.57 -0.43 -0.13 0.00 -1.04 0.00 0.00 56.93 55.90 1x4a s PHE 63 Cb -0.26 -0.99 0.01 0.00 -1.21 0.00 0.00 43.02 40.58 1x4a s PHE 63 CO 0.23 0.38 0.38 0.00 -1.34 0.00 0.00 175.22 174.87 1x4a s ALA 64 N -1.88 -0.46 -0.25 1.99 0.00 -1.00 -1.14 121.76 119.02 1x4a s ALA 64 Ca 0.17 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.61 1x4a s ALA 64 Cb -0.07 0.81 0.05 0.00 0.00 0.00 0.00 23.12 23.91 1x4a s ALA 64 CO 0.08 -0.69 -0.11 -0.06 0.00 0.00 0.00 175.76 174.97 1x4a s PHE 65 N -3.91 3.15 -0.00 0.00 0.08 0.49 -1.12 117.98 116.67 1x4a s PHE 65 Ca 0.12 -2.08 -0.17 0.00 0.12 0.00 0.00 56.93 54.92 1x4a s PHE 65 Cb 0.02 -1.96 -0.06 0.00 -0.57 0.00 0.00 43.02 40.45 1x4a s PHE 65 CO -0.03 -0.84 0.48 0.08 -0.10 0.00 0.00 175.22 174.81 1x4a s VAL 66 N 1.17 4.96 -0.20 -0.44 1.01 0.79 -1.19 120.40 126.51 1x4a s VAL 66 Ca -0.05 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.93 1x4a s VAL 66 Cb -0.18 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1x4a s VAL 66 CO -0.06 0.51 -0.14 -0.70 0.00 0.00 0.00 175.10 174.71 1x4a s GLU 67 N -0.70 2.98 0.31 2.72 2.12 -0.38 0.11 118.70 125.85 1x4a s GLU 67 Ca 0.26 -0.86 -0.03 0.00 0.36 0.00 0.00 54.97 54.70 1x4a s GLU 67 Cb -0.17 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.43 1x4a s GLU 67 CO 0.15 -0.27 0.56 -0.06 -0.54 0.00 0.00 175.26 175.10 1x4a s PHE 68 N 1.31 3.49 0.04 5.30 0.08 0.81 0.13 117.98 129.15 1x4a s PHE 68 Ca 0.03 0.55 -0.21 0.00 0.12 0.00 0.00 56.93 57.42 1x4a s PHE 68 Cb -0.14 -2.04 -0.14 0.00 -0.57 0.00 0.00 43.02 40.13 1x4a s PHE 68 CO -0.09 0.14 1.41 0.93 -0.10 0.00 0.00 175.22 177.51 1x4a h GLU 69 N 1.32 0.27 -6.35 0.44 4.39 -1.87 -3.44 114.58 109.33 1x4a h GLU 69 Ca -0.48 -0.11 -0.60 0.00 0.34 0.00 0.00 59.36 58.51 1x4a h GLU 69 Cb 1.20 -0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.72 1x4a h GLU 69 CO 0.64 0.58 -0.68 -0.51 -1.16 0.00 0.00 179.01 177.88 1x4a s ASP 70 N -5.88 4.54 -0.06 1.42 1.11 -1.26 -5.02 116.67 111.51 1x4a s ASP 70 Ca -0.14 -0.51 -0.26 0.00 0.18 0.00 0.00 52.55 51.82 1x4a s ASP 70 Cb 0.05 -0.88 -0.23 0.00 1.07 0.00 0.00 42.92 42.93 1x4a s ASP 70 CO 0.72 0.08 1.04 1.55 1.18 0.00 0.00 175.17 179.74 1x4a h PRO 71 N 2.63 0.10 -0.92 8.23 0.13 -1.87 -2.47 132.00 137.82 1x4a h PRO 71 Ca -0.46 -0.10 0.12 0.00 -0.87 0.00 0.00 66.00 64.69 1x4a h PRO 71 Cb 1.21 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1x4a h PRO 71 CO 0.57 0.83 -0.42 0.54 -0.23 0.00 0.00 178.00 179.29 1x4a n ARG 72 N -4.62 -0.28 -0.00 0.86 1.74 -1.26 0.60 116.66 113.70 1x4a n ARG 72 Ca -0.09 1.41 -0.12 0.00 -0.77 0.00 0.00 57.85 58.28 1x4a n ARG 72 Cb 0.43 -2.09 -0.08 0.00 -1.02 0.00 0.00 32.46 29.70 1x4a n ARG 72 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1x4a h ASP 73 N 0.00 0.06 -1.24 0.55 3.58 -1.98 0.48 116.42 117.87 1x4a h ASP 73 Ca 0.26 -0.28 0.37 0.00 0.42 0.00 0.00 57.03 57.80 1x4a h ASP 73 Cb 0.50 -0.02 -0.10 0.00 1.72 0.00 0.00 39.33 41.43 1x4a h ASP 73 CO -0.90 0.33 0.82 0.00 -2.88 0.00 0.00 179.24 176.60 1x4a h ALA 74 N 0.74 2.66 0.00 -0.78 0.00 0.22 0.63 119.26 122.73 1x4a h ALA 74 Ca 0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1x4a h ALA 74 Cb 0.29 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x4a h ALA 74 CO 0.00 -1.18 -0.01 0.93 0.00 0.00 0.00 179.25 178.99 1x4a h GLU 75 N 0.18 0.00 -0.77 0.00 5.08 0.63 -2.23 114.58 117.47 1x4a h GLU 75 Ca 0.72 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 59.30 1x4a h GLU 75 Cb 2.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.44 1x4a h GLU 75 CO -0.30 0.05 0.84 -0.44 -1.00 0.00 0.00 179.01 178.16 1x4a h ASP 76 N -1.00 0.00 0.00 1.42 3.32 0.56 0.77 116.42 121.49 1x4a h ASP 76 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x4a h ASP 76 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1x4a h ASP 76 CO -0.00 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1x4a h ALA 77 N 1.05 -0.01 -1.25 3.45 0.00 0.14 -2.28 119.26 120.35 1x4a h ALA 77 Ca 0.37 -0.00 0.36 0.00 0.00 0.00 0.00 54.91 55.64 1x4a h ALA 77 Cb 2.04 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 1x4a h ALA 77 CO -0.00 -0.01 0.86 -0.24 0.00 0.00 0.00 179.25 179.86 1x4a h VAL 78 N -0.21 0.36 0.13 0.00 3.04 -0.54 0.91 116.25 119.93 1x4a h VAL 78 Ca -0.00 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.64 1x4a h VAL 78 Cb 0.00 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 29.51 1x4a h VAL 78 CO 0.00 0.02 -0.06 1.88 -1.01 0.00 0.00 177.57 178.40 1x4a h TYR 79 N 0.12 -0.16 0.04 3.17 -1.99 0.40 -2.67 116.97 115.88 1x4a h TYR 79 Ca 0.65 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.37 1x4a h TYR 79 Cb 2.27 0.05 0.00 0.00 2.00 0.00 0.00 36.73 41.05 1x4a h TYR 79 CO -0.00 0.24 -0.02 0.78 -0.00 0.00 0.00 178.16 179.16 1x4a h GLY 80 N -0.61 -0.05 -0.86 3.88 0.00 0.20 -3.31 103.07 102.31 1x4a h GLY 80 Ca -0.02 0.02 0.36 0.00 0.00 0.00 0.00 47.33 47.69 1x4a h GLY 80 CO 0.03 -0.02 0.48 0.54 0.00 0.00 0.00 176.54 177.57 1x4a n ARG 81 N -2.55 -0.05 -1.54 4.80 5.12 0.28 -3.86 116.66 118.86 1x4a n ARG 81 Ca -0.01 1.15 -0.17 0.00 -1.93 0.00 0.00 57.85 56.89 1x4a n ARG 81 Cb 0.02 -2.08 -0.11 0.00 -1.16 0.00 0.00 32.46 29.13 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 -4.85 0.99 0.00 0.55 2.03 -1.01 0.08 116.55 114.35 1x4a n ASP 82 Ca 0.32 -1.17 0.00 0.00 0.52 0.00 0.00 54.79 54.46 1x4a n ASP 82 Cb 1.10 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 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 6.44 1.27 3.96 0.27 0.00 -1.23 -4.87 105.19 111.02 1x4a n GLY 83 Ca 0.52 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 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 2.98 -0.22 1.61 5.04 0.11 -4.92 117.35 119.95 1x4a s TYR 84 Ca 0.00 0.14 0.01 0.00 -2.44 0.00 0.00 57.07 54.78 1x4a s TYR 84 Cb 0.00 -2.70 0.05 0.00 0.35 0.00 0.00 41.96 39.66 1x4a s TYR 84 CO 0.00 -0.81 -0.08 0.34 -1.34 0.00 0.00 175.55 173.66 1x4a s ASP 85 N -4.38 3.74 -0.58 4.32 -1.08 -1.26 -1.61 116.67 115.82 1x4a s ASP 85 Ca 0.55 -1.08 -0.10 0.00 -0.52 0.00 0.00 52.55 51.40 1x4a s ASP 85 Cb -0.10 -1.25 0.15 0.00 -1.46 0.00 0.00 42.92 40.25 1x4a s ASP 85 CO 0.39 -0.19 0.47 -0.47 0.52 0.00 0.00 175.17 175.89 1x4a s TYR 86 N 1.36 3.47 -1.71 -5.34 6.14 0.51 -4.51 117.35 117.27 1x4a s TYR 86 Ca -0.04 -1.99 0.00 0.00 0.64 0.00 0.00 57.07 55.68 1x4a s TYR 86 Cb -0.18 -3.55 0.00 0.00 0.42 0.00 0.00 41.96 38.65 1x4a s TYR 86 CO -0.07 -0.97 0.00 -3.47 0.64 0.00 0.00 175.55 171.68 1x4a n ASP 87 N 4.49 -5.55 0.00 4.32 2.03 -1.26 -0.64 116.55 119.94 1x4a n ASP 87 Ca -0.01 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1x4a n ASP 87 Cb 0.41 -4.66 0.00 0.00 -0.72 0.00 0.00 41.12 36.15 1x4a n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4a n GLY 88 N -0.92 2.65 3.60 0.27 0.00 -1.26 -5.02 105.19 104.50 1x4a n GLY 88 Ca -0.23 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.01 2.00 0.02 1.61 1.51 0.19 -4.95 117.35 115.71 1x4a s TYR 89 Ca 0.00 0.64 -0.30 0.00 -1.01 0.00 0.00 57.07 56.40 1x4a s TYR 89 Cb 0.00 -4.19 -0.05 0.00 -0.11 0.00 0.00 41.96 37.61 1x4a s TYR 89 CO 0.00 -2.60 1.28 1.03 -1.11 0.00 0.00 175.55 174.15 1x4a s ARG 90 N 5.49 4.36 0.29 -0.62 1.81 -1.26 -0.36 118.95 128.65 1x4a s ARG 90 Ca 0.73 1.83 0.04 0.00 -1.72 0.00 0.00 55.73 56.61 1x4a s ARG 90 Cb -0.19 -3.46 -0.03 0.00 -0.45 0.00 0.00 34.95 30.83 1x4a s ARG 90 CO 0.33 -0.42 0.43 -0.51 -0.68 0.00 0.00 175.30 174.45 1x4a s LEU 91 N 1.76 4.17 -0.33 2.53 1.43 -0.63 -4.60 118.68 123.01 1x4a s LEU 91 Ca 0.60 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1x4a s LEU 91 Cb -0.29 -2.96 0.10 0.00 0.03 0.00 0.00 46.19 43.07 1x4a s LEU 91 CO 0.26 -0.21 0.12 -0.13 0.23 0.00 0.00 176.35 176.62 1x4a s ARG 92 N -4.11 0.77 -0.11 1.70 0.52 0.57 -3.48 118.95 114.81 1x4a s ARG 92 Ca 0.38 -1.19 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 1x4a s ARG 92 Cb -0.09 -2.02 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 1x4a s ARG 92 CO 0.31 -1.01 0.24 0.08 0.02 0.00 0.00 175.30 174.94 1x4a s VAL 93 N 1.46 5.33 0.04 3.52 1.01 -1.26 -0.29 120.40 130.22 1x4a s VAL 93 Ca 0.11 0.44 -0.27 0.00 0.00 0.00 0.00 61.98 62.25 1x4a s VAL 93 Cb -0.18 -3.54 0.07 0.00 0.00 0.00 0.00 36.38 32.73 1x4a s VAL 93 CO -0.22 0.54 0.65 -1.83 0.00 0.00 0.00 175.10 174.24 1x4a s GLU 94 N -0.56 1.15 0.47 2.72 -1.05 -0.29 -4.47 118.70 116.68 1x4a s GLU 94 Ca 0.17 -0.07 -0.20 0.00 -0.15 0.00 0.00 54.97 54.71 1x4a s GLU 94 Cb -0.13 0.54 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 1x4a s GLU 94 CO 0.06 -0.43 1.01 -0.06 0.95 0.00 0.00 175.26 176.78 1x4a s PHE 95 N -2.35 3.11 -0.08 4.83 0.08 -1.26 -1.77 117.98 120.53 1x4a s PHE 95 Ca -0.05 1.58 -0.30 0.00 0.12 0.00 0.00 56.93 58.28 1x4a s PHE 95 Cb -0.00 -2.99 -0.03 0.00 -0.57 0.00 0.00 43.02 39.43 1x4a s PHE 95 CO -0.01 -0.60 1.24 -1.25 -0.10 0.00 0.00 175.22 174.50 1x4a s PRO 96 N -3.28 4.31 -0.23 0.24 0.04 -1.26 -4.91 135.00 129.91 1x4a s PRO 96 Ca 0.65 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 63.38 1x4a s PRO 96 Cb -0.14 -3.62 0.02 0.00 0.04 0.00 0.00 34.50 30.80 1x4a s PRO 96 CO 0.19 -0.53 -0.09 0.50 0.04 0.00 0.00 177.00 177.11 1x4a s ARG 97 N 2.61 2.91 -0.20 4.56 3.52 -1.26 -4.98 118.95 126.11 1x4a s ARG 97 Ca 0.56 -0.92 -0.16 0.00 -0.13 0.00 0.00 55.73 55.08 1x4a s ARG 97 Cb -0.24 -2.90 -0.08 0.00 -1.56 0.00 0.00 34.95 30.17 1x4a s ARG 97 CO 0.20 -0.34 -0.32 0.45 -0.81 0.00 0.00 175.30 174.48 1x4a n SER 98 N 4.66 1.93 0.00 -2.12 2.88 -1.26 -5.11 113.62 114.60 1x4a n SER 98 Ca -0.17 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1x4a n SER 98 Cb 0.48 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1x4a n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4a n GLY 99 N 1.42 0.40 2.84 0.46 0.00 -1.26 -5.07 105.19 103.98 1x4a n GLY 99 Ca -0.24 -1.67 -0.04 0.00 0.00 0.00 0.00 46.02 44.07 1x4a n GLY 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x4a n ARG 100 N 0.00 -2.81 -3.92 1.61 0.00 -1.26 -4.99 116.66 105.29 1x4a n ARG 100 Ca 0.00 2.35 -0.30 0.00 -0.00 0.00 0.00 57.85 59.90 1x4a n ARG 100 Cb 0.00 -4.93 -0.15 0.00 0.00 0.00 0.00 32.46 27.38 1x4a n ARG 100 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1x4a s GLY 101 N -1.87 1.73 -0.22 5.14 0.00 -1.26 -5.08 107.32 105.77 1x4a s GLY 101 Ca 0.10 -2.37 -0.29 0.00 0.00 0.00 0.00 44.72 42.15 1x4a s GLY 101 CO 0.72 1.17 1.72 -1.08 0.00 0.00 0.00 173.10 175.62 1x4a s THR 102 N 0.96 3.55 -0.65 0.90 -1.32 -1.26 -4.94 115.64 112.89 1x4a s THR 102 Ca 0.12 0.62 0.04 0.00 -1.21 0.00 0.00 61.69 61.25 1x4a s THR 102 Cb -0.19 -3.59 0.16 0.00 -1.51 0.00 0.00 72.50 67.36 1x4a s THR 102 CO -0.12 -0.27 0.43 -0.83 -2.21 0.00 0.00 174.62 171.62 1x4a s GLY 103 N 4.87 2.76 -0.30 6.08 0.00 -1.26 -5.01 107.32 114.47 1x4a s GLY 103 Ca 0.76 -3.63 -0.12 0.00 0.00 0.00 0.00 44.72 41.74 1x4a s GLY 103 CO 0.31 1.06 0.80 -0.45 0.00 0.00 0.00 173.10 174.83 1x4a s SER 104 N -0.90 -0.90 0.23 1.64 0.15 -1.26 -5.17 113.70 107.49 1x4a s SER 104 Ca 0.22 1.15 0.11 0.00 0.70 0.00 0.00 55.95 58.13 1x4a s SER 104 Cb -0.13 1.99 -0.05 0.00 -1.71 0.00 0.00 66.02 66.13 1x4a s SER 104 CO -0.10 -0.17 -0.16 -0.83 1.20 0.00 0.00 173.24 173.18 1x4a s GLY 105 N 2.71 1.77 0.01 9.45 0.00 -1.26 -5.10 107.32 114.89 1x4a s GLY 105 Ca -0.02 -1.69 -0.30 0.00 0.00 0.00 0.00 44.72 42.70 1x4a s GLY 105 CO -0.18 -1.74 1.19 2.56 0.00 0.00 0.00 173.10 174.93 1x4a s PRO 106 N -3.16 4.40 0.16 2.90 0.04 -1.26 -5.03 135.00 133.05 1x4a s PRO 106 Ca 0.27 1.71 0.08 0.00 0.04 0.00 0.00 61.00 63.10 1x4a s PRO 106 Cb -0.07 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1x4a s PRO 106 CO 0.14 -0.33 -0.18 -1.12 0.04 0.00 0.00 177.00 175.55 1x4a s SER 107 N 1.26 2.65 0.42 6.66 0.01 -1.26 -5.07 113.70 118.38 1x4a s SER 107 Ca 0.57 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1x4a s SER 107 Cb -0.27 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1x4a s SER 107 CO 0.26 -0.04 0.00 -0.24 0.41 0.00 0.00 173.24 173.63 1x4a n SER 108 N 0.28 -5.52 0.00 2.44 2.88 -1.26 -5.35 113.62 107.09 1x4a n SER 108 Ca -0.13 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1x4a n SER 108 Cb 0.57 -3.33 0.00 0.00 -0.75 0.00 0.00 64.21 60.70 1x4a n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42