#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 -0.32 0.01 1.61 0.15 -1.26 -5.19 113.70 108.70 1x4a s SER 2 Ca 0.00 -0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.25 1x4a s SER 2 Cb 0.00 0.41 0.11 0.00 -1.71 0.00 0.00 66.02 64.83 1x4a s SER 2 CO 0.00 -0.69 1.25 -0.44 1.20 0.00 0.00 173.24 174.56 1x4a s SER 3 N -2.60 -0.07 0.00 5.45 0.01 -1.26 -5.19 113.70 110.03 1x4a s SER 3 Ca 0.07 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1x4a s SER 3 Cb -0.01 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1x4a s SER 3 CO -0.06 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1x4a n GLY 4 N -0.49 4.24 3.67 3.44 0.00 -1.26 -5.18 105.19 109.61 1x4a n GLY 4 Ca -0.08 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1x4a n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4a s SER 5 N -0.86 -0.08 0.33 1.61 1.04 -1.26 -5.18 113.70 109.30 1x4a s SER 5 Ca 0.00 -0.22 0.08 0.00 0.48 0.00 0.00 55.95 56.30 1x4a s SER 5 Cb 0.00 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1x4a s SER 5 CO 0.00 -0.47 0.10 -0.55 0.98 0.00 0.00 173.24 173.31 1x4a s SER 6 N -3.00 4.57 0.00 7.02 0.15 -1.26 -5.14 113.70 116.04 1x4a s SER 6 Ca 0.14 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1x4a s SER 6 Cb 0.03 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1x4a s SER 6 CO -0.02 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1x4a n GLY 7 N -1.09 1.18 2.93 9.45 0.00 -1.26 -5.04 105.19 111.36 1x4a n GLY 7 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1x4a n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4a n MET 8 N 0.00 -2.24 -4.41 1.61 2.00 -1.26 -5.02 117.12 107.80 1x4a n MET 8 Ca 0.00 1.95 -0.25 0.00 0.00 0.00 0.00 57.70 59.40 1x4a n MET 8 Cb 0.00 -2.75 -0.11 0.00 0.00 0.00 0.00 33.22 30.35 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 -0.74 3.28 0.00 7.83 1.04 -1.26 -5.04 113.70 118.80 1x4a s SER 9 Ca -0.07 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1x4a s SER 9 Cb 0.00 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1x4a s SER 9 CO 0.34 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.23 1x4a n GLY 10 N 0.04 2.10 0.00 7.32 0.00 -1.26 -5.15 105.19 108.23 1x4a n GLY 10 Ca -0.11 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.03 -0.30 2.97 -0.02 0.00 -1.26 -5.05 105.19 101.56 1x4a n GLY 11 Ca 0.00 0.58 -0.38 0.00 0.00 0.00 0.00 46.02 46.22 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 4.64 0.88 -0.02 0.00 -1.26 -4.72 105.19 104.71 1x4a n GLY 12 Ca 0.00 -2.66 0.07 0.00 0.00 0.00 0.00 46.02 43.44 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 1.72 1.36 -4.20 1.61 0.24 -1.26 -4.88 118.33 112.92 1x4a n VAL 13 Ca 0.25 -1.20 -0.15 0.00 -2.04 0.00 0.00 64.34 61.20 1x4a n VAL 13 Cb 0.37 0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 33.01 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 0.50 0.00 -2.88 1.34 -5.35 -1.26 -4.93 119.36 106.77 1x4a n ILE 14 Ca 0.17 -1.16 -0.05 0.00 -0.27 0.00 0.00 62.75 61.44 1x4a n ILE 14 Cb 0.60 0.11 0.01 0.00 -1.74 0.00 0.00 39.64 38.61 1x4a n ILE 14 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1x4a n ARG 15 N -0.75 -2.66 0.00 6.28 5.12 -1.26 -4.86 116.66 118.52 1x4a n ARG 15 Ca -0.08 2.25 0.00 0.00 -1.93 0.00 0.00 57.85 58.09 1x4a n ARG 15 Cb 0.32 -4.63 0.00 0.00 -1.16 0.00 0.00 32.46 26.99 1x4a n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x4a n GLY 16 N 0.46 -2.48 0.07 -0.13 0.00 -1.26 -4.63 105.19 97.23 1x4a n GLY 16 Ca 0.03 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.03 0.00 1.61 0.13 -1.95 -3.46 132.00 128.30 1x4a h PRO 17 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x4a h PRO 17 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1x4a h PRO 17 CO 0.00 0.65 -0.01 0.00 -0.23 0.00 0.00 178.00 178.41 1x4a n ALA 18 N -2.51 3.00 -3.00 -0.56 0.00 -1.26 -4.96 120.51 111.22 1x4a n ALA 18 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1x4a n ALA 18 Cb 0.34 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 2.16 2.60 3.15 0.00 0.00 -1.26 -4.76 105.19 107.08 1x4a n GLY 19 Ca 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 46.02 45.30 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 1.58 -0.59 -0.26 1.61 2.47 -1.26 -4.95 114.94 113.54 1x4a s ASN 20 Ca 0.00 0.08 -0.21 0.00 0.42 0.00 0.00 52.86 53.14 1x4a s ASN 20 Cb 0.00 1.38 -0.01 0.00 -1.45 0.00 0.00 41.25 41.16 1x4a s ASN 20 CO 0.00 -0.11 0.67 0.20 -3.72 0.00 0.00 177.10 174.14 1x4a s ASN 21 N 2.94 6.61 -0.28 -4.21 -0.87 -1.26 -5.00 114.94 112.87 1x4a s ASN 21 Ca 0.25 0.72 -0.01 0.00 -1.57 0.00 0.00 52.86 52.24 1x4a s ASN 21 Cb -0.03 -2.36 0.13 0.00 -0.02 0.00 0.00 41.25 38.97 1x4a s ASN 21 CO -0.23 -0.43 0.29 -1.81 -2.57 0.00 0.00 177.10 172.35 1x4a s ASP 22 N 1.49 1.70 0.40 -1.22 1.01 -1.26 -4.99 116.67 113.79 1x4a s ASP 22 Ca 0.28 -0.72 0.15 0.00 0.71 0.00 0.00 52.55 52.97 1x4a s ASP 22 Cb -0.15 0.48 1.00 0.00 1.01 0.00 0.00 42.92 45.26 1x4a s ASP 22 CO 0.09 -0.38 1.86 0.00 0.21 0.00 0.00 175.17 176.95 1x4a s ARG 24 N -5.50 4.55 0.06 0.00 1.70 -1.26 -1.73 118.95 116.77 1x4a s ARG 24 Ca -0.09 1.19 0.06 0.00 -0.47 0.00 0.00 55.73 56.42 1x4a s ARG 24 Cb 0.22 -3.38 -0.03 0.00 -0.57 0.00 0.00 34.95 31.19 1x4a s ARG 24 CO 0.78 0.22 -0.16 0.96 -1.08 0.00 0.00 175.30 176.02 1x4a s ILE 25 N 0.12 1.26 -0.16 4.99 -4.36 0.16 -4.57 121.20 118.64 1x4a s ILE 25 Ca 0.42 -1.22 -0.04 0.00 -0.26 0.00 0.00 60.65 59.55 1x4a s ILE 25 Cb -0.21 -1.16 -0.03 0.00 1.25 0.00 0.00 42.46 42.31 1x4a s ILE 25 CO 0.25 -0.07 -0.01 -0.47 0.24 0.00 0.00 174.94 174.88 1x4a s TYR 26 N -1.05 3.09 -0.21 1.37 5.04 0.21 -0.09 117.35 125.71 1x4a s TYR 26 Ca 0.02 -0.17 -0.06 0.00 -2.44 0.00 0.00 57.07 54.41 1x4a s TYR 26 Cb -0.09 -1.98 -0.03 0.00 0.35 0.00 0.00 41.96 40.21 1x4a s TYR 26 CO 0.02 0.05 0.04 0.08 -1.34 0.00 0.00 175.55 174.40 1x4a s VAL 27 N 0.28 4.30 0.47 3.14 1.01 -0.46 -1.48 120.40 127.66 1x4a s VAL 27 Ca -0.01 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1x4a s VAL 27 Cb -0.14 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1x4a s VAL 27 CO 0.02 0.40 0.12 -0.83 0.00 0.00 0.00 175.10 174.81 1x4a s GLY 28 N 1.09 2.63 -0.39 4.51 0.00 0.10 -2.93 107.32 112.33 1x4a s GLY 28 Ca 0.03 -1.38 -0.25 0.00 0.00 0.00 0.00 44.72 43.13 1x4a s GLY 28 CO 0.03 -2.06 0.53 0.70 0.00 0.00 0.00 173.10 172.29 1x4a n ASN 29 N -1.29 -6.61 -4.35 1.64 3.02 -1.26 -1.45 115.26 104.96 1x4a n ASN 29 Ca -0.08 0.25 -0.18 0.00 -0.03 0.00 0.00 54.58 54.53 1x4a n ASN 29 Cb 0.66 -3.15 -0.10 0.00 -0.61 0.00 0.00 39.78 36.58 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 -2.29 2.51 0.74 3.41 1.43 -1.24 -3.84 118.68 119.39 1x4a s LEU 30 Ca 0.27 -1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 1x4a s LEU 30 Cb -0.04 -0.60 0.03 0.00 0.03 0.00 0.00 46.19 45.61 1x4a s LEU 30 CO 0.74 -0.25 1.07 -2.16 0.23 0.00 0.00 176.35 175.98 1x4a s PRO 31 N -3.69 2.60 0.33 1.29 0.04 -1.26 -4.22 135.00 130.08 1x4a s PRO 31 Ca 0.24 0.83 0.17 0.00 0.04 0.00 0.00 61.00 62.27 1x4a s PRO 31 Cb 0.01 -1.96 0.43 0.00 0.04 0.00 0.00 34.50 33.02 1x4a s PRO 31 CO 0.07 -1.31 1.61 -1.00 0.04 0.00 0.00 177.00 176.42 1x4a h PRO 32 N -0.87 0.00 -1.81 0.56 0.13 -2.01 -3.20 132.00 124.80 1x4a h PRO 32 Ca -0.45 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.96 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 0.59 -3.47 -0.23 0.00 0.00 178.00 175.93 1x4a n ASP 33 N -3.44 6.81 -4.94 1.44 -0.08 -1.26 -4.99 116.55 110.09 1x4a n ASP 33 Ca 0.00 -3.81 -0.25 0.00 -1.51 0.00 0.00 54.79 49.22 1x4a n ASP 33 Cb 0.61 -0.90 -0.03 0.00 2.34 0.00 0.00 41.12 43.14 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 -5.17 5.27 0.07 5.18 1.10 -1.21 -5.12 121.20 121.32 1x4a s ILE 34 Ca 0.52 -0.64 0.07 0.00 -0.51 0.00 0.00 60.65 60.08 1x4a s ILE 34 Cb 0.43 -3.77 -0.03 0.00 0.15 0.00 0.00 42.46 39.25 1x4a s ILE 34 CO -0.34 -0.17 -0.18 -0.13 -2.11 0.00 0.00 174.94 172.01 1x4a s ARG 35 N -3.43 1.07 0.41 3.50 1.81 -1.26 -5.02 118.95 116.02 1x4a s ARG 35 Ca 0.36 -0.97 0.12 0.00 -1.72 0.00 0.00 55.73 53.52 1x4a s ARG 35 Cb -0.11 -1.19 0.85 0.00 -0.45 0.00 0.00 34.95 34.06 1x4a s ARG 35 CO 0.29 0.28 1.92 1.15 -0.68 0.00 0.00 175.30 178.27 1x4a h THR 36 N 4.29 1.18 0.10 0.02 2.02 -1.98 -1.76 112.91 116.78 1x4a h THR 36 Ca -0.42 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 1x4a h THR 36 Cb 1.18 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1x4a h THR 36 CO 0.42 0.25 -0.05 0.50 0.37 0.00 0.00 175.52 177.01 1x4a h LYS 37 N 0.08 -0.13 -0.93 6.66 1.63 -1.98 -1.88 116.57 120.01 1x4a h LYS 37 Ca 0.01 0.01 0.22 0.00 -0.85 0.00 0.00 60.65 60.04 1x4a h LYS 37 Cb 0.43 0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 31.97 1x4a h LYS 37 CO 0.03 0.38 0.48 -0.44 -3.45 0.00 0.00 179.45 176.45 1x4a h ASP 38 N -0.83 0.50 0.58 4.20 3.32 -1.94 1.57 116.42 123.83 1x4a h ASP 38 Ca -0.01 0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1x4a h ASP 38 Cb 0.57 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1x4a h ASP 38 CO 0.02 0.08 -0.40 0.40 -1.72 0.00 0.00 179.24 177.62 1x4a h ILE 39 N 0.52 1.11 0.00 0.35 2.04 -1.33 -1.59 117.51 118.61 1x4a h ILE 39 Ca 0.58 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1x4a h ILE 39 Cb 1.05 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1x4a h ILE 39 CO -0.48 0.39 -0.00 -0.08 0.00 0.00 0.00 178.15 177.98 1x4a h GLU 40 N 0.00 -0.01 0.00 2.37 4.81 0.29 -2.48 114.58 119.56 1x4a h GLU 40 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1x4a h GLU 40 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1x4a h GLU 40 CO 0.05 0.61 0.00 0.22 -0.73 0.00 0.00 179.01 179.16 1x4a h ASP 41 N -0.63 0.00 0.18 1.04 3.58 -0.09 0.70 116.42 121.21 1x4a h ASP 41 Ca -0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1x4a h ASP 41 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1x4a h ASP 41 CO 0.00 0.00 -0.09 0.58 -2.88 0.00 0.00 179.24 176.86 1x4a h VAL 42 N 0.00 0.00 0.00 2.25 2.07 -1.14 -3.31 116.25 116.12 1x4a h VAL 42 Ca 0.00 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1x4a h VAL 42 Cb 0.23 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1x4a h VAL 42 CO 0.00 0.00 -0.30 -0.26 0.02 0.00 0.00 177.57 177.03 1x4a h PHE 43 N -0.50 0.00 -0.48 1.57 0.04 -1.32 -2.71 116.94 113.54 1x4a h PHE 43 Ca -0.02 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.88 1x4a h PHE 43 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1x4a h PHE 43 CO 0.05 0.30 0.59 -0.92 -0.60 0.00 0.00 178.31 177.73 1x4a h TYR 44 N 0.00 0.00 0.00 -0.55 5.03 0.33 0.84 116.97 122.62 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 0.63 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.91 1x4a h TYR 44 CO 0.00 0.00 0.04 1.57 -1.32 0.00 0.00 178.16 178.45 1x4a h LYS 45 N 0.00 0.00 0.00 1.82 5.09 -1.56 -2.75 116.57 119.16 1x4a h LYS 45 Ca 0.23 0.00 -0.27 0.00 0.09 0.00 0.00 60.65 60.70 1x4a h LYS 45 Cb 1.40 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.69 1x4a h LYS 45 CO -0.00 0.00 -1.86 0.66 -2.09 0.00 0.00 179.45 176.15 1x4a n TYR 46 N -2.53 0.04 -0.60 0.07 4.01 0.29 -5.11 117.16 113.34 1x4a n TYR 46 Ca -0.02 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1x4a n TYR 46 Cb 0.09 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 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 1.35 4.34 3.41 2.72 0.00 -1.04 -5.07 105.19 110.89 1x4a n GLY 47 Ca -0.37 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.38 2.44 0.01 4.61 0.00 -1.26 -4.17 121.76 122.02 1x4a s ALA 48 Ca 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 1x4a s ALA 48 Cb 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1x4a s ALA 48 CO 0.00 0.55 0.17 0.42 0.00 0.00 0.00 175.76 176.90 1x4a s ILE 49 N -1.05 5.26 -0.15 0.00 1.01 -1.26 -3.44 121.20 121.58 1x4a s ILE 49 Ca 0.15 -0.29 0.10 0.00 0.00 0.00 0.00 60.65 60.60 1x4a s ILE 49 Cb -0.10 -3.48 -0.23 0.00 0.01 0.00 0.00 42.46 38.65 1x4a s ILE 49 CO 0.06 0.27 0.26 -1.14 0.00 0.00 0.00 174.94 174.40 1x4a n ARG 50 N 0.78 0.68 -3.61 2.79 0.63 0.25 -4.91 116.66 113.26 1x4a n ARG 50 Ca -0.10 0.16 -0.06 0.00 -0.92 0.00 0.00 57.85 56.94 1x4a n ARG 50 Cb 0.52 -1.64 -0.05 0.00 0.45 0.00 0.00 32.46 31.74 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 -6.11 -0.18 -0.15 6.15 -1.08 -1.23 -5.01 116.67 109.06 1x4a s ASP 51 Ca -0.14 0.21 -0.00 0.00 -0.52 0.00 0.00 52.55 52.09 1x4a s ASP 51 Cb 0.07 0.16 0.04 0.00 -1.46 0.00 0.00 42.92 41.72 1x4a s ASP 51 CO 0.78 -0.17 -0.06 -0.63 0.52 0.00 0.00 175.17 175.61 1x4a s ILE 52 N -1.02 1.10 -0.36 4.11 1.01 -1.26 -1.07 121.20 123.71 1x4a s ILE 52 Ca 0.04 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 1x4a s ILE 52 Cb -0.01 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.26 1x4a s ILE 52 CO -0.04 0.22 0.20 -0.62 0.00 0.00 0.00 174.94 174.70 1x4a s ASP 53 N 1.65 5.75 -0.19 3.58 2.15 0.06 -4.92 116.67 124.75 1x4a s ASP 53 Ca 0.02 -0.81 -0.03 0.00 0.43 0.00 0.00 52.55 52.16 1x4a s ASP 53 Cb -0.14 -2.04 -0.01 0.00 -0.30 0.00 0.00 42.92 40.42 1x4a s ASP 53 CO -0.08 -0.33 -0.06 -0.22 -0.17 0.00 0.00 175.17 174.31 1x4a s LEU 54 N 1.60 2.91 -1.20 -1.34 2.96 -1.26 0.13 118.68 122.48 1x4a s LEU 54 Ca 0.03 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 1x4a s LEU 54 Cb -0.18 -1.72 0.20 0.00 0.50 0.00 0.00 46.19 44.99 1x4a s LEU 54 CO 0.07 0.05 1.43 0.29 -1.32 0.00 0.00 176.35 176.87 1x4a n LYS 55 N 4.34 3.49 -1.43 1.98 5.02 -0.40 -4.99 118.16 126.17 1x4a n LYS 55 Ca -0.18 -3.97 -0.31 0.00 -2.02 0.00 0.00 58.31 51.83 1x4a n LYS 55 Cb 0.51 -2.90 0.07 0.00 -0.02 0.00 0.00 35.03 32.69 1x4a n LYS 55 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1x4a s ASN 56 N 2.05 4.87 -0.33 4.39 3.84 -1.26 -4.44 114.94 124.06 1x4a s ASN 56 Ca 0.39 1.78 -0.04 0.00 0.21 0.00 0.00 52.86 55.20 1x4a s ASN 56 Cb -0.02 -2.52 0.01 0.00 -0.55 0.00 0.00 41.25 38.17 1x4a s ASN 56 CO -0.01 -1.79 0.14 -1.14 -2.79 0.00 0.00 177.10 171.51 1x4a n ARG 57 N -3.25 -3.14 -3.59 0.43 0.63 -1.26 -5.06 116.66 101.42 1x4a n ARG 57 Ca 0.09 2.57 -0.06 0.00 -0.92 0.00 0.00 57.85 59.53 1x4a n ARG 57 Cb 0.53 -5.27 -0.03 0.00 0.45 0.00 0.00 32.46 28.14 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 -1.84 0.39 0.63 -0.14 3.00 -1.26 -5.15 118.95 114.57 1x4a s ARG 58 Ca 0.06 -0.04 -0.18 0.00 -1.00 0.00 0.00 55.73 54.56 1x4a s ARG 58 Cb -0.02 0.18 -0.03 0.00 0.00 0.00 0.00 34.95 35.09 1x4a s ARG 58 CO 0.76 -0.15 1.15 0.41 0.00 0.00 0.00 175.30 177.46 1x4a n GLY 59 N 0.23 0.17 7.00 8.12 0.00 -1.26 -4.73 105.19 114.71 1x4a n GLY 59 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.09 -1.29 3.82 -0.02 0.00 -1.26 -4.88 105.19 102.64 1x4a n GLY 60 Ca 0.15 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 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 2.88 0.01 1.61 0.04 -1.26 -5.00 135.00 133.28 1x4a s PRO 61 Ca 0.00 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 1x4a s PRO 61 Cb 0.00 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1x4a s PRO 61 CO 0.00 -1.13 1.19 -1.25 0.04 0.00 0.00 177.00 175.85 1x4a s PRO 62 N -5.05 4.40 0.22 0.56 0.04 -1.26 -4.93 135.00 128.97 1x4a s PRO 62 Ca 0.58 1.71 0.10 0.00 0.04 0.00 0.00 61.00 63.44 1x4a s PRO 62 Cb -0.14 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 30.91 1x4a s PRO 62 CO 0.55 -0.33 -0.20 -0.59 0.04 0.00 0.00 177.00 176.47 1x4a s PHE 63 N 1.55 2.08 0.17 0.56 -0.71 -1.26 -3.72 117.98 116.65 1x4a s PHE 63 Ca 0.57 -0.41 -0.20 0.00 -1.04 0.00 0.00 56.93 55.86 1x4a s PHE 63 Cb -0.27 -0.98 0.05 0.00 -1.21 0.00 0.00 43.02 40.61 1x4a s PHE 63 CO 0.26 0.50 0.54 0.00 -1.34 0.00 0.00 175.22 175.18 1x4a s ALA 64 N -2.23 -1.22 -0.19 1.99 0.00 -1.15 -1.28 121.76 117.68 1x4a s ALA 64 Ca 0.23 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1x4a s ALA 64 Cb -0.05 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1x4a s ALA 64 CO 0.10 -0.76 -0.18 -0.06 0.00 0.00 0.00 175.76 174.86 1x4a s PHE 65 N -3.81 2.82 -0.13 0.00 0.40 0.35 -1.36 117.98 116.25 1x4a s PHE 65 Ca 0.04 -1.59 -0.09 0.00 -0.60 0.00 0.00 56.93 54.69 1x4a s PHE 65 Cb -0.01 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1x4a s PHE 65 CO -0.09 -0.78 0.17 0.08 0.70 0.00 0.00 175.22 175.31 1x4a s VAL 66 N 1.30 5.42 -0.17 -0.44 1.01 0.88 -0.76 120.40 127.64 1x4a s VAL 66 Ca 0.04 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1x4a s VAL 66 Cb -0.13 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1x4a s VAL 66 CO -0.11 0.55 -0.10 -0.70 0.00 0.00 0.00 175.10 174.73 1x4a s GLU 67 N -0.52 3.34 0.15 2.72 2.12 -0.23 0.37 118.70 126.65 1x4a s GLU 67 Ca 0.14 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 54.82 1x4a s GLU 67 Cb -0.12 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1x4a s GLU 67 CO 0.03 0.00 0.25 -0.06 -0.54 0.00 0.00 175.26 174.94 1x4a s PHE 68 N 0.91 3.41 0.09 5.30 0.40 -0.70 0.85 117.98 128.23 1x4a s PHE 68 Ca -0.02 0.09 -0.19 0.00 -0.60 0.00 0.00 56.93 56.20 1x4a s PHE 68 Cb -0.15 -1.63 -0.08 0.00 0.51 0.00 0.00 43.02 41.67 1x4a s PHE 68 CO -0.00 0.52 1.61 0.93 0.70 0.00 0.00 175.22 178.97 1x4a h GLU 69 N 2.20 0.34 -6.77 0.44 4.39 -1.87 -3.44 114.58 109.87 1x4a h GLU 69 Ca -0.48 -0.07 -0.67 0.00 0.34 0.00 0.00 59.36 58.47 1x4a h GLU 69 Cb 1.20 -0.05 -0.20 0.00 -0.10 0.00 0.00 28.75 29.59 1x4a h GLU 69 CO 0.67 0.43 -0.85 -0.51 -1.16 0.00 0.00 179.01 177.60 1x4a s ASP 70 N -5.69 3.40 0.08 1.42 1.11 -1.26 -5.03 116.67 110.70 1x4a s ASP 70 Ca -0.14 -0.79 -0.14 0.00 0.18 0.00 0.00 52.55 51.66 1x4a s ASP 70 Cb 0.07 -0.25 -0.21 0.00 1.07 0.00 0.00 42.92 43.61 1x4a s ASP 70 CO 0.72 0.15 1.22 1.55 1.18 0.00 0.00 175.17 179.99 1x4a h PRO 71 N 3.58 0.70 -0.41 8.23 0.13 -1.90 -2.80 132.00 139.53 1x4a h PRO 71 Ca -0.49 -0.68 0.04 0.00 -0.87 0.00 0.00 66.00 63.99 1x4a h PRO 71 Cb 1.19 0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.44 1x4a h PRO 71 CO 0.43 1.27 -0.24 0.54 -0.23 0.00 0.00 178.00 179.77 1x4a n ARG 72 N -3.93 -0.18 -0.19 0.86 1.74 -1.26 0.12 116.66 113.81 1x4a n ARG 72 Ca -0.10 1.16 -0.07 0.00 -0.77 0.00 0.00 57.85 58.07 1x4a n ARG 72 Cb 0.81 -1.72 0.02 0.00 -1.02 0.00 0.00 32.46 30.55 1x4a n ARG 72 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1x4a h ASP 73 N 0.00 0.71 -1.02 0.55 3.04 -1.98 -1.51 116.42 116.20 1x4a h ASP 73 Ca 0.07 -0.12 0.36 0.00 -3.24 0.00 0.00 57.03 54.09 1x4a h ASP 73 Cb 0.17 -0.18 -0.16 0.00 -1.04 0.00 0.00 39.33 38.12 1x4a h ASP 73 CO -0.39 0.63 0.58 0.00 -2.04 0.00 0.00 179.24 178.03 1x4a h ALA 74 N 1.11 2.07 0.04 4.15 0.00 -0.31 1.51 119.26 127.82 1x4a h ALA 74 Ca 0.19 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1x4a h ALA 74 Cb 0.10 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1x4a h ALA 74 CO -0.03 -0.74 -0.02 0.93 0.00 0.00 0.00 179.25 179.40 1x4a h GLU 75 N 0.22 -0.05 -0.23 0.00 5.08 0.43 0.12 114.58 120.15 1x4a h GLU 75 Ca 0.77 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 59.20 1x4a h GLU 75 Cb 1.90 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 1x4a h GLU 75 CO -0.64 0.59 0.33 -0.44 -1.00 0.00 0.00 179.01 177.85 1x4a h ASP 76 N -0.93 0.00 0.00 1.42 3.32 0.25 0.86 116.42 121.35 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 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1x4a h ASP 76 CO 0.01 0.00 -0.22 0.00 -1.72 0.00 0.00 179.24 177.31 1x4a h ALA 77 N 1.56 0.00 -1.07 3.45 0.00 0.20 -2.32 119.26 121.08 1x4a h ALA 77 Ca 0.11 -0.29 0.29 0.00 0.00 0.00 0.00 54.91 55.01 1x4a h ALA 77 Cb 0.76 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 1x4a h ALA 77 CO -0.00 0.22 0.69 -0.24 0.00 0.00 0.00 179.25 179.91 1x4a h VAL 78 N -0.62 0.48 -0.01 0.00 3.04 -0.32 0.74 116.25 119.55 1x4a h VAL 78 Ca 0.00 -0.12 -0.23 0.00 -1.01 0.00 0.00 66.70 65.34 1x4a h VAL 78 Cb 0.22 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.59 1x4a h VAL 78 CO 0.00 0.07 -0.93 1.88 -1.01 0.00 0.00 177.57 177.58 1x4a h TYR 79 N 0.36 0.67 0.00 3.17 0.05 0.59 -2.88 116.97 118.93 1x4a h TYR 79 Ca 0.62 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1x4a h TYR 79 Cb 1.62 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 39.28 1x4a h TYR 79 CO -0.00 1.17 0.00 0.41 -1.05 0.00 0.00 178.16 178.69 1x4a n GLY 80 N 0.92 -1.10 0.31 3.88 0.00 0.24 -3.70 105.19 105.75 1x4a n GLY 80 Ca -0.07 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.48 -0.06 -1.50 1.61 5.12 -0.17 -4.29 116.66 116.89 1x4a n ARG 81 Ca 0.00 1.34 -0.37 0.00 -1.93 0.00 0.00 57.85 56.89 1x4a n ARG 81 Cb 0.00 -2.32 -0.17 0.00 -1.16 0.00 0.00 32.46 28.81 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 -5.22 -0.06 0.00 0.55 2.03 -1.09 0.97 116.55 113.73 1x4a n ASP 82 Ca 0.32 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1x4a n ASP 82 Cb 1.07 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 6.29 1.76 3.96 0.27 0.00 -1.26 -4.94 105.19 111.28 1x4a n GLY 83 Ca 0.66 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.47 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 3.42 -0.24 1.61 5.04 0.27 -4.97 117.35 120.48 1x4a s TYR 84 Ca 0.00 0.09 0.02 0.00 -2.44 0.00 0.00 57.07 54.74 1x4a s TYR 84 Cb 0.00 -1.77 0.04 0.00 0.35 0.00 0.00 41.96 40.59 1x4a s TYR 84 CO 0.00 0.24 -0.12 -0.51 -1.34 0.00 0.00 175.55 173.82 1x4a s ASP 85 N -4.03 4.08 -0.18 4.32 1.11 -1.26 -1.82 116.67 118.89 1x4a s ASP 85 Ca 0.38 -1.10 0.01 0.00 0.18 0.00 0.00 52.55 52.02 1x4a s ASP 85 Cb -0.09 -1.56 0.02 0.00 1.07 0.00 0.00 42.92 42.36 1x4a s ASP 85 CO 0.32 -0.13 -0.20 -0.47 1.18 0.00 0.00 175.17 175.87 1x4a s TYR 86 N 1.19 2.74 -0.73 4.23 6.14 0.37 -4.57 117.35 126.73 1x4a s TYR 86 Ca -0.03 -1.62 0.00 0.00 0.64 0.00 0.00 57.07 56.05 1x4a s TYR 86 Cb -0.17 -1.90 0.00 0.00 0.42 0.00 0.00 41.96 40.31 1x4a s TYR 86 CO -0.07 -0.80 0.00 -3.47 0.64 0.00 0.00 175.55 171.85 1x4a n ASP 87 N 4.62 -4.44 0.00 4.32 2.03 -1.26 -1.30 116.55 120.53 1x4a n ASP 87 Ca -0.21 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1x4a n ASP 87 Cb 0.50 -2.54 0.00 0.00 -0.72 0.00 0.00 41.12 38.36 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 -1.33 0.81 3.90 0.27 0.00 -1.26 -5.05 105.19 102.53 1x4a n GLY 88 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.84 3.54 -0.42 1.61 2.02 -0.42 -5.06 117.35 115.77 1x4a s TYR 89 Ca 0.00 0.42 -0.21 0.00 -0.37 0.00 0.00 57.07 56.91 1x4a s TYR 89 Cb 0.00 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.70 1x4a s TYR 89 CO 0.00 0.59 0.65 1.03 -1.57 0.00 0.00 175.55 176.24 1x4a s ARG 90 N -2.17 3.35 0.60 -0.62 0.52 -1.26 -0.47 118.95 118.89 1x4a s ARG 90 Ca 0.32 -0.29 -0.08 0.00 -0.52 0.00 0.00 55.73 55.16 1x4a s ARG 90 Cb -0.13 -3.93 -0.01 0.00 0.52 0.00 0.00 34.95 31.41 1x4a s ARG 90 CO 0.22 -0.97 0.94 -0.51 0.02 0.00 0.00 175.30 175.00 1x4a s LEU 91 N 2.82 3.25 -0.29 2.53 1.43 -0.75 -4.84 118.68 122.82 1x4a s LEU 91 Ca 0.23 0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1x4a s LEU 91 Cb -0.14 -3.83 0.09 0.00 0.03 0.00 0.00 46.19 42.34 1x4a s LEU 91 CO 0.18 -0.99 0.09 -0.13 0.23 0.00 0.00 176.35 175.73 1x4a s ARG 92 N -5.04 0.71 -0.18 1.70 0.52 -0.53 -4.06 118.95 112.07 1x4a s ARG 92 Ca 0.54 -0.96 -0.14 0.00 -0.52 0.00 0.00 55.73 54.64 1x4a s ARG 92 Cb -0.11 -1.98 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 1x4a s ARG 92 CO 0.48 -0.93 0.30 0.08 0.02 0.00 0.00 175.30 175.24 1x4a s VAL 93 N 1.66 5.29 0.24 3.52 1.01 -1.26 0.00 120.40 130.86 1x4a s VAL 93 Ca 0.08 0.53 -0.22 0.00 0.00 0.00 0.00 61.98 62.37 1x4a s VAL 93 Cb -0.17 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1x4a s VAL 93 CO -0.23 0.36 0.69 -1.83 0.00 0.00 0.00 175.10 174.08 1x4a s GLU 94 N 0.71 1.60 0.35 2.72 -1.05 -0.55 -4.61 118.70 117.88 1x4a s GLU 94 Ca 0.16 -0.81 -0.21 0.00 -0.15 0.00 0.00 54.97 53.96 1x4a s GLU 94 Cb -0.13 0.60 -0.10 0.00 -0.44 0.00 0.00 34.13 34.05 1x4a s GLU 94 CO 0.05 -0.72 0.88 -0.06 0.95 0.00 0.00 175.26 176.35 1x4a s PHE 95 N -3.84 3.47 -0.62 4.83 0.08 -1.26 -0.62 117.98 120.02 1x4a s PHE 95 Ca 0.08 1.55 -0.27 0.00 0.12 0.00 0.00 56.93 58.40 1x4a s PHE 95 Cb -0.04 -2.77 0.01 0.00 -0.57 0.00 0.00 43.02 39.64 1x4a s PHE 95 CO 0.00 0.07 1.53 -1.25 -0.10 0.00 0.00 175.22 175.47 1x4a s PRO 96 N -2.69 3.06 0.27 0.24 0.04 -1.26 -4.77 135.00 129.88 1x4a s PRO 96 Ca 0.55 0.35 -0.08 0.00 0.04 0.00 0.00 61.00 61.85 1x4a s PRO 96 Cb -0.13 -4.22 0.45 0.00 0.04 0.00 0.00 34.50 30.63 1x4a s PRO 96 CO 0.18 -2.24 1.58 -0.09 0.04 0.00 0.00 177.00 176.46 1x4a h ARG 97 N 12.05 0.00 -6.33 4.56 2.43 -2.00 -3.38 114.38 121.71 1x4a h ARG 97 Ca -0.27 -0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.27 1x4a h ARG 97 Cb 1.10 -0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1x4a h ARG 97 CO 1.21 0.00 0.92 -1.13 -1.51 0.00 0.00 179.97 179.46 1x4a n SER 98 N -5.57 3.03 0.00 -3.80 3.41 -1.26 -4.86 113.62 104.57 1x4a n SER 98 Ca 0.15 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.79 1x4a n SER 98 Cb 0.49 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1x4a n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4a n GLY 99 N 3.88 2.97 3.81 5.00 0.00 -1.26 -5.15 105.19 114.43 1x4a n GLY 99 Ca 0.21 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 1x4a n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4a s ARG 100 N -0.51 4.31 -0.47 1.61 0.52 -1.26 -5.03 118.95 118.12 1x4a s ARG 100 Ca 0.00 1.12 0.06 0.00 -0.52 0.00 0.00 55.73 56.39 1x4a s ARG 100 Cb 0.00 -2.43 0.21 0.00 0.52 0.00 0.00 34.95 33.24 1x4a s ARG 100 CO 0.00 0.11 0.66 0.41 0.02 0.00 0.00 175.30 176.50 1x4a n GLY 101 N -0.17 0.61 3.30 -3.53 0.00 -1.26 -5.13 105.19 99.01 1x4a n GLY 101 Ca 0.05 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1x4a n GLY 101 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x4a s THR 102 N 0.38 1.89 0.00 2.61 -1.32 -1.26 -5.12 115.64 112.82 1x4a s THR 102 Ca 0.32 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1x4a s THR 102 Cb 0.09 -1.64 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 1x4a s THR 102 CO -0.14 0.24 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 1x4a n GLY 103 N 1.69 -0.05 3.62 6.08 0.00 -1.26 -5.19 105.19 110.08 1x4a n GLY 103 Ca -0.17 -0.90 -0.02 0.00 0.00 0.00 0.00 46.02 44.93 1x4a n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4a s SER 104 N 0.00 -0.13 -0.31 1.61 0.15 -1.26 -5.15 113.70 108.61 1x4a s SER 104 Ca 0.00 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.51 1x4a s SER 104 Cb 0.00 0.23 0.19 0.00 -1.71 0.00 0.00 66.02 64.73 1x4a s SER 104 CO 0.00 -0.40 0.82 -0.83 1.20 0.00 0.00 173.24 174.03 1x4a s GLY 105 N -2.67 -1.17 0.88 9.45 0.00 -1.26 -5.17 107.32 107.38 1x4a s GLY 105 Ca 0.11 1.37 -0.12 0.00 0.00 0.00 0.00 44.72 46.09 1x4a s GLY 105 CO -0.04 3.92 1.12 2.56 0.00 0.00 0.00 173.10 180.66 1x4a s PRO 106 N 2.65 1.43 0.20 2.90 0.04 -1.26 -5.09 135.00 135.88 1x4a s PRO 106 Ca 0.18 0.40 -0.03 0.00 0.04 0.00 0.00 61.00 61.59 1x4a s PRO 106 Cb -0.05 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1x4a s PRO 106 CO -0.21 -2.02 0.18 -1.12 0.04 0.00 0.00 177.00 173.87 1x4a s SER 107 N -3.99 0.12 0.24 6.66 0.01 -1.26 -5.18 113.70 110.30 1x4a s SER 107 Ca 0.63 -1.29 -0.18 0.00 1.31 0.00 0.00 55.95 56.42 1x4a s SER 107 Cb -0.15 0.41 0.02 0.00 0.21 0.00 0.00 66.02 66.51 1x4a s SER 107 CO 0.54 -0.88 0.58 -0.94 0.41 0.00 0.00 173.24 172.95 1x4a s SER 108 N -3.13 -0.23 0.00 2.44 1.04 -1.26 -5.38 113.70 107.19 1x4a s SER 108 Ca 0.35 -0.63 0.07 0.00 0.48 0.00 0.00 55.95 56.22 1x4a s SER 108 Cb 0.06 0.64 0.42 0.00 0.10 0.00 0.00 66.02 67.23 1x4a s SER 108 CO 0.10 -1.18 0.88 0.61 0.98 0.00 0.00 173.24 174.63