#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1maj n VAL 2 N 0.00-12.05 -2.39 5.18 0.31 -1.26 -4.05 118.33 104.06 1maj n VAL 2 Ca 0.00 2.54 -0.43 0.00 -0.01 0.00 0.00 64.34 66.45 1maj n VAL 2 Cb 0.00 -6.29 -0.02 0.00 -0.91 0.00 0.00 33.84 26.61 1maj n VAL 2 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1maj s VAL 3 N -0.61 4.13 -0.89 2.52 1.01 -1.26 -4.75 120.40 120.55 1maj s VAL 3 Ca -0.27 1.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.85 1maj s VAL 3 Cb 0.02 -4.07 0.17 0.00 0.00 0.00 0.00 36.38 32.50 1maj s VAL 3 CO 0.73 -0.37 0.98 -0.04 0.00 0.00 0.00 175.10 176.40 1maj s MET 4 N 4.05 3.62 -0.39 2.72 -1.94 -1.26 -2.66 119.30 123.44 1maj s MET 4 Ca 0.57 -2.08 -0.29 0.00 -1.71 0.00 0.00 55.69 52.18 1maj s MET 4 Cb -0.19 -4.72 0.01 0.00 2.01 0.00 0.00 34.83 31.95 1maj s MET 4 CO 0.22 -1.57 1.27 0.99 -0.01 0.00 0.00 175.02 175.92 1maj s THR 5 N 1.58 4.12 0.15 2.05 2.01 -0.12 -4.28 115.64 121.15 1maj s THR 5 Ca 0.27 1.20 0.03 0.00 0.31 0.00 0.00 61.69 63.49 1maj s THR 5 Cb -0.07 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1maj s THR 5 CO -0.09 -0.71 0.28 -1.58 -0.69 0.00 0.00 174.62 171.83 1maj s GLN 6 N 4.45 3.43 0.14 4.92 0.74 -1.26 -0.69 119.66 131.40 1maj s GLN 6 Ca 0.55 -0.60 -0.24 0.00 0.05 0.00 0.00 55.36 55.12 1maj s GLN 6 Cb -0.13 -2.96 0.07 0.00 1.10 0.00 0.00 33.01 31.09 1maj s GLN 6 CO 0.28 0.52 0.67 0.95 -0.55 0.00 0.00 175.29 177.16 1maj s THR 7 N -1.74 0.00 1.04 -0.34 -4.23 0.34 -4.71 115.64 105.99 1maj s THR 7 Ca 0.34 -0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.55 1maj s THR 7 Cb -0.11 -1.14 0.23 0.00 1.34 0.00 0.00 72.50 72.82 1maj s THR 7 CO 0.28 0.00 1.26 -2.16 -0.54 0.00 0.00 174.62 173.47 1maj s PRO 8 N -3.65 0.06 0.60 3.99 0.04 -1.26 0.17 135.00 134.97 1maj s PRO 8 Ca 0.03 -0.32 0.37 0.00 0.04 0.00 0.00 61.00 61.12 1maj s PRO 8 Cb -0.02 -1.77 1.94 0.00 0.04 0.00 0.00 34.50 34.69 1maj s PRO 8 CO -0.10 -2.81 2.22 -0.07 0.04 0.00 0.00 177.00 176.28 1maj h LEU 9 N -1.93 0.00 -7.27 -3.56 -0.00 -1.84 -3.41 115.31 97.30 1maj h LEU 9 Ca -0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.36 1maj h LEU 9 Cb 1.25 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 41.73 1maj h LEU 9 CO 0.36 0.03 -0.04 -0.94 -0.00 0.00 0.00 178.44 177.85 1maj s SER 10 N -5.59 -0.40 -0.55 -0.43 1.04 -1.26 -1.99 113.70 104.53 1maj s SER 10 Ca -0.03 0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.70 1maj s SER 10 Cb 0.12 0.44 0.19 0.00 0.10 0.00 0.00 66.02 66.88 1maj s SER 10 CO 0.49 -0.61 0.48 -0.11 0.98 0.00 0.00 173.24 174.47 1maj n LEU 11 N 0.77 1.52 -4.56 2.42 7.94 0.21 -4.91 117.00 120.39 1maj n LEU 11 Ca -0.19 -4.88 -0.40 0.00 -1.11 0.00 0.00 56.01 49.43 1maj n LEU 11 Cb 0.58 -0.11 -0.03 0.00 0.53 0.00 0.00 43.42 44.39 1maj n LEU 11 CO 0.21 1.87 1.58 -2.16 -1.11 0.00 0.00 177.39 177.79 1maj s PRO 12 N -1.02 2.82 0.00 1.96 0.04 -1.26 -4.41 135.00 133.12 1maj s PRO 12 Ca 0.31 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1maj s PRO 12 Cb 0.04 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1maj s PRO 12 CO -0.15 -2.49 0.00 1.33 0.04 0.00 0.00 177.00 175.73 1maj n VAL 13 N 7.27 0.00 -4.37 -0.36 0.24 -1.26 -4.45 118.33 115.40 1maj n VAL 13 Ca 0.21 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.24 1maj n VAL 13 Cb 0.51 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.76 1maj n VAL 13 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1maj s SER 14 N -0.59 3.66 -1.05 -1.34 0.01 -1.26 -0.28 113.70 112.85 1maj s SER 14 Ca 0.00 -0.74 -0.23 0.00 1.31 0.00 0.00 55.95 56.29 1maj s SER 14 Cb 0.00 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.84 1maj s SER 14 CO 0.00 0.13 1.72 -0.76 0.41 0.00 0.00 173.24 174.74 1maj s LEU 15 N -2.54 3.39 0.00 2.44 1.43 -1.26 -2.46 118.68 119.68 1maj s LEU 15 Ca 0.20 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 1maj s LEU 15 Cb -0.09 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1maj s LEU 15 CO 0.10 -2.05 0.00 0.61 0.23 0.00 0.00 176.35 175.25 1maj n GLY 16 N 6.49 0.49 0.26 -3.19 0.00 -0.45 -4.85 105.19 103.92 1maj n GLY 16 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.40 1maj n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1maj n ASP 17 N 0.00 0.02 -4.69 1.61 9.92 -1.03 -4.54 116.55 117.84 1maj n ASP 17 Ca 0.00 -1.04 -0.35 0.00 -0.53 0.00 0.00 54.79 52.87 1maj n ASP 17 Cb 0.00 -0.06 -0.09 0.00 -0.64 0.00 0.00 41.12 40.32 1maj n ASP 17 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1maj s GLN 18 N -3.11 3.06 0.04 -1.24 -0.21 -1.26 -2.65 119.66 114.29 1maj s GLN 18 Ca 0.05 -0.39 0.06 0.00 0.02 0.00 0.00 55.36 55.10 1maj s GLN 18 Cb -0.00 -2.83 -0.03 0.00 1.00 0.00 0.00 33.01 31.14 1maj s GLN 18 CO 0.03 0.69 -0.12 0.00 -2.12 0.00 0.00 175.29 173.77 1maj s ALA 19 N -0.83 2.85 -0.35 6.09 0.00 -0.34 -4.95 121.76 124.23 1maj s ALA 19 Ca 0.13 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 1maj s ALA 19 Cb -0.11 -0.92 0.13 0.00 0.00 0.00 0.00 23.12 22.21 1maj s ALA 19 CO 0.02 0.61 0.20 -1.54 0.00 0.00 0.00 175.76 175.05 1maj s SER 20 N -1.65 3.20 -0.15 0.00 1.04 -1.26 -0.90 113.70 113.97 1maj s SER 20 Ca 0.17 -2.07 -0.20 0.00 0.48 0.00 0.00 55.95 54.32 1maj s SER 20 Cb -0.11 -0.49 -0.03 0.00 0.10 0.00 0.00 66.02 65.49 1maj s SER 20 CO 0.08 -0.33 0.60 -0.63 0.98 0.00 0.00 173.24 173.94 1maj s ILE 21 N 1.17 5.08 0.44 -1.02 1.01 -1.00 -4.74 121.20 122.13 1maj s ILE 21 Ca 0.16 1.16 -0.09 0.00 0.00 0.00 0.00 60.65 61.88 1maj s ILE 21 Cb -0.22 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1maj s ILE 21 CO -0.06 0.20 0.79 -0.55 0.00 0.00 0.00 174.94 175.32 1maj s SER 22 N 0.97 6.43 -0.30 3.58 0.15 0.46 -0.62 113.70 124.37 1maj s SER 22 Ca 0.29 1.09 -0.04 0.00 0.70 0.00 0.00 55.95 57.99 1maj s SER 22 Cb -0.16 -2.31 0.18 0.00 -1.71 0.00 0.00 66.02 62.02 1maj s SER 22 CO 0.12 -0.48 0.68 0.00 1.20 0.00 0.00 173.24 174.76 1maj s ARG 24 N 2.86 2.67 0.47 0.00 3.52 0.13 -0.35 118.95 128.26 1maj s ARG 24 Ca 0.14 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 1maj s ARG 24 Cb -0.14 -2.54 0.01 0.00 -1.56 0.00 0.00 34.95 30.73 1maj s ARG 24 CO -0.19 0.65 0.68 0.45 -0.81 0.00 0.00 175.30 176.07 1maj s SER 25 N -0.89 5.63 0.01 -2.12 0.15 -1.26 -0.94 113.70 114.27 1maj s SER 25 Ca 0.13 0.07 -0.17 0.00 0.70 0.00 0.00 55.95 56.67 1maj s SER 25 Cb -0.11 -1.18 -0.35 0.00 -1.71 0.00 0.00 66.02 62.67 1maj s SER 25 CO 0.02 -0.84 0.97 0.77 1.20 0.00 0.00 173.24 175.36 1maj h SER 26 N 0.35 0.77 -0.71 5.45 4.64 -1.82 -3.39 113.55 118.83 1maj h SER 26 Ca -0.44 -0.93 -0.33 0.00 -0.47 0.00 0.00 61.79 59.62 1maj h SER 26 Cb 1.27 -0.25 -0.40 0.00 -0.31 0.00 0.00 62.40 62.71 1maj h SER 26 CO 0.54 1.65 -1.09 1.67 -0.87 0.00 0.00 176.83 178.72 1maj n GLN 27 N -3.81 1.84 -0.70 4.77 7.27 -1.26 -5.03 117.38 120.46 1maj n GLN 27 Ca -0.16 -3.56 0.09 0.00 0.07 0.00 0.00 57.00 53.45 1maj n GLN 27 Cb 1.04 -1.60 -0.02 0.00 2.41 0.00 0.00 30.24 32.07 1maj n GLN 27 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1maj n SER 28 N -0.43 -6.98 -0.62 1.69 7.64 -1.26 -4.76 113.62 108.89 1maj n SER 28 Ca 0.13 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1maj n SER 28 Cb 0.81 -2.10 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 1maj n SER 28 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1maj n LEU 29 N 0.00 0.09 -4.75 -3.43 4.77 -1.25 -4.97 117.00 107.46 1maj n LEU 29 Ca 0.00 -1.13 -0.40 0.00 -0.03 0.00 0.00 56.01 54.45 1maj n LEU 29 Cb 0.32 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1maj n LEU 29 CO 0.00 0.40 0.73 -0.69 -1.33 0.00 0.00 177.39 176.50 1maj s VAL 30 N 0.00 3.88 1.13 4.08 1.01 -1.26 -3.95 120.40 125.29 1maj s VAL 30 Ca 0.04 1.78 -0.14 0.00 0.00 0.00 0.00 61.98 63.67 1maj s VAL 30 Cb 0.04 -4.14 0.26 0.00 0.00 0.00 0.00 36.38 32.55 1maj s VAL 30 CO -0.02 0.38 1.05 -2.28 0.00 0.00 0.00 175.10 174.23 1maj s HIS 31 N -0.83 1.45 0.41 5.22 2.46 0.01 -4.85 115.29 119.16 1maj s HIS 31 Ca 0.45 1.00 0.18 0.00 0.47 0.00 0.00 55.06 57.16 1maj s HIS 31 Cb -0.28 -3.17 1.10 0.00 -0.13 0.00 0.00 32.58 30.10 1maj s HIS 31 CO 0.35 -3.64 1.83 1.03 -2.47 0.00 0.00 174.74 171.84 1maj h SER 32 N -2.45 0.41 -0.03 9.88 0.87 -1.95 -3.25 113.55 117.03 1maj h SER 32 Ca -0.58 0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 59.86 1maj h SER 32 Cb 1.34 -0.02 -0.17 0.00 -0.44 0.00 0.00 62.40 63.11 1maj h SER 32 CO 0.51 0.14 -0.34 -0.46 -0.53 0.00 0.00 176.83 176.15 1maj n ASN 33 N -4.53 -1.19 0.00 6.23 0.23 -1.26 -5.11 115.26 109.63 1maj n ASN 33 Ca 0.21 -2.19 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 1maj n ASN 33 Cb 0.76 0.57 0.00 0.00 -2.08 0.00 0.00 39.78 39.03 1maj n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1maj n GLY 34 N -1.35 3.27 0.00 4.83 0.00 -1.23 -5.18 105.19 105.53 1maj n GLY 34 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1maj n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1maj n ASN 35 N 0.00 1.61 -4.16 1.61 5.03 -1.26 -4.58 115.26 113.50 1maj n ASN 35 Ca 0.00 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.06 1maj n ASN 35 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 1maj n ASN 35 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1maj s THR 36 N 0.86 3.94 -1.46 3.41 2.01 -1.26 -0.81 115.64 122.33 1maj s THR 36 Ca 0.00 -2.24 -0.13 0.00 0.31 0.00 0.00 61.69 59.63 1maj s THR 36 Cb 0.00 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 68.95 1maj s THR 36 CO 0.00 -0.80 2.28 -1.22 -0.69 0.00 0.00 174.62 174.19 1maj n TYR 37 N 4.36 3.37 -3.31 4.92 4.01 -1.25 -3.78 117.16 125.47 1maj n TYR 37 Ca -0.00 -2.98 -0.37 0.00 -0.16 0.00 0.00 57.90 54.39 1maj n TYR 37 Cb 0.41 -2.50 -0.06 0.00 -0.31 0.00 0.00 39.34 36.87 1maj n TYR 37 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1maj s LEU 38 N 1.78 4.44 0.28 7.72 0.20 -1.25 -1.53 118.68 130.33 1maj s LEU 38 Ca 0.49 1.18 0.09 0.00 0.69 0.00 0.00 54.13 56.58 1maj s LEU 38 Cb 0.14 -3.05 -0.05 0.00 -0.43 0.00 0.00 46.19 42.79 1maj s LEU 38 CO -0.08 0.20 -0.13 0.21 -0.29 0.00 0.00 176.35 176.26 1maj s ASN 39 N -1.37 3.26 0.15 3.68 2.47 -0.75 -2.94 114.94 119.44 1maj s ASN 39 Ca 0.33 -1.10 0.08 0.00 0.42 0.00 0.00 52.86 52.59 1maj s ASN 39 Cb -0.17 -0.25 -0.04 0.00 -1.45 0.00 0.00 41.25 39.33 1maj s ASN 39 CO 0.19 -0.14 -0.18 0.26 -3.72 0.00 0.00 177.10 173.50 1maj s TRP 40 N -2.73 1.79 0.05 0.43 0.52 0.70 -1.90 118.94 117.80 1maj s TRP 40 Ca 0.29 -0.47 0.06 0.00 0.02 0.00 0.00 56.10 56.00 1maj s TRP 40 Cb -0.01 -0.91 -0.02 0.00 -1.15 0.00 0.00 33.47 31.38 1maj s TRP 40 CO 0.13 0.30 -0.17 0.71 0.02 0.00 0.00 176.95 177.94 1maj s TYR 41 N -1.91 1.47 -0.29 -1.98 1.51 0.14 -2.65 117.35 113.65 1maj s TYR 41 Ca 0.14 -0.37 -0.15 0.00 -1.01 0.00 0.00 57.07 55.67 1maj s TYR 41 Cb -0.06 -0.86 0.11 0.00 -0.11 0.00 0.00 41.96 41.03 1maj s TYR 41 CO 0.06 0.07 0.77 -1.17 -1.11 0.00 0.00 175.55 174.17 1maj s LEU 42 N -1.28 -0.85 0.03 -1.29 2.96 -1.26 -1.82 118.68 115.17 1maj s LEU 42 Ca 0.04 1.32 -0.29 0.00 -0.22 0.00 0.00 54.13 54.98 1maj s LEU 42 Cb -0.09 2.19 0.11 0.00 0.50 0.00 0.00 46.19 48.90 1maj s LEU 42 CO 0.02 -0.20 1.21 0.00 -1.32 0.00 0.00 176.35 176.05 1maj s GLN 43 N 1.75 0.60 0.00 1.98 0.00 -1.18 -4.26 119.66 118.55 1maj s GLN 43 Ca -0.09 -0.33 0.00 0.00 -0.00 0.00 0.00 55.36 54.94 1maj s GLN 43 Cb -0.06 0.20 0.00 0.00 0.00 0.00 0.00 33.01 33.16 1maj s GLN 43 CO -0.19 -0.27 0.00 1.17 0.00 0.00 0.00 175.29 176.00 1maj n LYS 44 N -0.50 3.63 0.34 9.60 3.00 -1.26 -3.01 118.16 129.95 1maj n LYS 44 Ca -0.08 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.42 1maj n LYS 44 Cb 0.62 0.00 0.98 0.00 0.00 0.00 0.00 35.03 36.63 1maj n LYS 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1maj h ALA 45 N 0.14 1.20 0.00 3.14 0.00 -1.99 -3.41 119.26 118.34 1maj h ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1maj h ALA 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1maj h ALA 45 CO 0.00 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.46 1maj n GLY 46 N -1.16 -0.60 1.50 0.00 0.00 -1.26 -5.12 105.19 98.54 1maj n GLY 46 Ca -0.02 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1maj n GLY 46 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1maj n GLN 47 N 0.00 0.00 -2.55 1.61 0.00 -1.26 -5.13 117.38 110.04 1maj n GLN 47 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.00 56.73 1maj n GLN 47 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.25 1maj n GLN 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1maj s SER 48 N -1.89 6.06 1.22 1.69 1.04 -1.26 -5.05 113.70 115.51 1maj s SER 48 Ca 0.00 0.86 -0.15 0.00 0.48 0.00 0.00 55.95 57.14 1maj s SER 48 Cb 0.00 -2.08 0.30 0.00 0.10 0.00 0.00 66.02 64.34 1maj s SER 48 CO 0.00 -0.73 1.01 -2.84 0.98 0.00 0.00 173.24 171.66 1maj s PRO 49 N -4.82 -1.34 -0.56 4.02 0.02 -1.26 -4.73 135.00 126.32 1maj s PRO 49 Ca 0.49 0.57 0.06 0.00 0.02 0.00 0.00 61.00 62.15 1maj s PRO 49 Cb -0.10 -1.53 0.29 0.00 0.02 0.00 0.00 34.50 33.18 1maj s PRO 49 CO 0.45 -3.94 0.79 0.36 -0.33 0.00 0.00 177.00 174.33 1maj n LYS 50 N -5.03 2.41 -3.08 5.54 2.85 -1.26 -4.57 118.16 115.02 1maj n LYS 50 Ca 0.05 -4.45 0.04 0.00 -1.05 0.00 0.00 58.31 52.91 1maj n LYS 50 Cb 0.56 -2.07 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1maj n LYS 50 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1maj s LEU 51 N -2.65 -0.60 0.00 -5.58 2.96 -1.25 -4.62 118.68 106.93 1maj s LEU 51 Ca 0.42 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1maj s LEU 51 Cb 0.21 1.23 0.00 0.00 0.50 0.00 0.00 46.19 48.13 1maj s LEU 51 CO -0.07 -0.10 0.00 0.18 -1.32 0.00 0.00 176.35 175.04 1maj n LEU 52 N 4.83 0.11 -4.80 -0.68 4.77 -1.08 -4.65 117.00 115.49 1maj n LEU 52 Ca 0.08 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 1maj n LEU 52 Cb 0.58 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 1maj n LEU 52 CO -0.13 0.00 0.55 -0.63 -1.33 0.00 0.00 177.39 175.85 1maj s ILE 53 N 0.00 4.39 0.00 -0.08 1.09 -1.26 -0.07 121.20 125.27 1maj s ILE 53 Ca 0.00 1.54 0.00 0.00 -1.10 0.00 0.00 60.65 61.09 1maj s ILE 53 Cb 0.00 -3.89 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 1maj s ILE 53 CO 0.00 0.10 0.00 0.00 -0.10 0.00 0.00 174.94 174.95 1maj n TYR 54 N 0.45 0.00 -2.96 3.97 0.18 -1.23 -0.22 117.16 117.35 1maj n TYR 54 Ca 0.01 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.58 1maj n TYR 54 Cb 0.51 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.45 1maj n TYR 54 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 1maj n LYS 55 N -0.02 2.05 -3.30 -3.48 0.00 -1.15 -3.81 118.16 108.45 1maj n LYS 55 Ca 0.00 -4.01 -0.35 0.00 0.00 0.00 0.00 58.31 53.95 1maj n LYS 55 Cb 0.06 -1.90 0.03 0.00 0.00 0.00 0.00 35.03 33.23 1maj n LYS 55 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1maj n VAL 56 N -0.03 -3.42 -2.28 3.15 3.14 -1.19 -3.96 118.33 113.75 1maj n VAL 56 Ca 0.27 0.06 -0.02 0.00 -2.96 0.00 0.00 64.34 61.68 1maj n VAL 56 Cb 0.58 -3.12 0.00 0.00 -1.06 0.00 0.00 33.84 30.25 1maj n VAL 56 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1maj n SER 57 N -0.22 -5.17 0.00 6.55 2.88 0.34 -4.71 113.62 113.30 1maj n SER 57 Ca -0.10 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1maj n SER 57 Cb 0.62 -3.35 0.00 0.00 -0.75 0.00 0.00 64.21 60.74 1maj n SER 57 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1maj n ASN 58 N -0.87 0.00 -0.86 -3.46 0.23 -1.25 -4.80 115.26 104.25 1maj n ASN 58 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 1maj n ASN 58 Cb 0.37 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1maj n ASN 58 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1maj n ARG 59 N -0.21 -2.44 -2.51 -3.83 1.74 -1.26 -4.99 116.66 103.16 1maj n ARG 59 Ca 0.00 1.81 -0.23 0.00 -0.77 0.00 0.00 57.85 58.66 1maj n ARG 59 Cb 0.00 -2.02 0.07 0.00 -1.02 0.00 0.00 32.46 29.49 1maj n ARG 59 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1maj s PHE 60 N -2.44 2.50 -0.08 -1.55 5.36 0.90 -4.79 117.98 117.89 1maj s PHE 60 Ca 0.00 0.03 -0.31 0.00 -0.96 0.00 0.00 56.93 55.69 1maj s PHE 60 Cb 0.00 -2.95 -0.09 0.00 -0.34 0.00 0.00 43.02 39.63 1maj s PHE 60 CO 0.00 -1.26 2.01 0.45 -1.46 0.00 0.00 175.22 174.96 1maj n SER 61 N -2.64 3.65 0.00 6.13 2.88 -1.26 -0.56 113.62 121.81 1maj n SER 61 Ca 0.10 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1maj n SER 61 Cb 0.60 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1maj n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1maj n GLY 62 N 4.88 0.24 3.68 0.46 0.00 -1.26 -5.06 105.19 108.13 1maj n GLY 62 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1maj n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1maj s VAL 63 N -2.00 4.92 0.48 1.61 1.01 0.28 -5.02 120.40 121.68 1maj s VAL 63 Ca 0.00 1.58 -0.24 0.00 0.00 0.00 0.00 61.98 63.32 1maj s VAL 63 Cb 0.00 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 1maj s VAL 63 CO 0.00 0.07 1.31 -2.65 0.00 0.00 0.00 175.10 173.83 1maj n PRO 64 N 4.95 1.85 0.25 2.72 -0.02 -1.26 -4.75 135.00 138.75 1maj n PRO 64 Ca 0.03 0.67 0.16 0.00 -2.02 0.00 0.00 63.50 62.34 1maj n PRO 64 Cb 0.49 -2.48 0.88 0.00 -0.02 0.00 0.00 33.50 32.37 1maj n PRO 64 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1maj h ASP 65 N 1.81 0.00 0.07 2.55 3.58 -1.99 -0.89 116.42 121.55 1maj h ASP 65 Ca -0.49 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.94 1maj h ASP 65 Cb 1.30 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.35 1maj h ASP 65 CO 0.59 0.00 -0.05 0.03 -2.88 0.00 0.00 179.24 176.92 1maj h ARG 66 N 0.00 0.00 -6.30 0.28 3.08 -1.92 -3.41 114.38 106.11 1maj h ARG 66 Ca 0.04 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.54 1maj h ARG 66 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1maj h ARG 66 CO -0.00 0.05 0.52 -0.06 -1.07 0.00 0.00 179.97 179.42 1maj s PHE 67 N -4.82 3.54 0.11 3.04 0.40 -0.34 -0.89 117.98 119.02 1maj s PHE 67 Ca -0.05 1.61 0.02 0.00 -0.60 0.00 0.00 56.93 57.92 1maj s PHE 67 Cb 0.16 -3.18 -0.04 0.00 0.51 0.00 0.00 43.02 40.47 1maj s PHE 67 CO 0.65 -0.19 -0.08 -1.12 0.70 0.00 0.00 175.22 175.18 1maj s SER 68 N 1.08 1.28 -0.48 1.36 0.01 0.12 -4.67 113.70 112.40 1maj s SER 68 Ca 0.49 -0.98 0.06 0.00 1.31 0.00 0.00 55.95 56.83 1maj s SER 68 Cb -0.19 0.07 0.19 0.00 0.21 0.00 0.00 66.02 66.29 1maj s SER 68 CO 0.20 -0.42 0.59 0.61 0.41 0.00 0.00 173.24 174.64 1maj n GLY 69 N 0.02 0.48 0.00 3.44 0.00 -1.26 -0.06 105.19 107.80 1maj n GLY 69 Ca -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1maj n GLY 69 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1maj n SER 70 N 2.84 0.00 0.00 1.61 2.88 -1.02 0.13 113.62 120.05 1maj n SER 70 Ca 0.22 -0.78 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 1maj n SER 70 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1maj n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1maj n GLY 71 N 5.00 2.75 3.42 0.46 0.00 -1.25 -1.49 105.19 114.07 1maj n GLY 71 Ca 0.00 0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1maj n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1maj s SER 72 N 0.00 6.60 0.00 1.61 0.01 -1.24 -4.76 113.70 115.92 1maj s SER 72 Ca 0.00 -2.09 0.00 0.00 1.31 0.00 0.00 55.95 55.17 1maj s SER 72 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1maj s SER 72 CO 0.00 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1maj n GLY 73 N 5.11 1.48 2.53 3.44 0.00 -1.26 -3.84 105.19 112.65 1maj n GLY 73 Ca 0.17 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 1maj n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1maj n THR 74 N 0.00 1.30 -2.72 2.61 -2.24 -1.26 -3.92 114.28 108.05 1maj n THR 74 Ca 0.00 -4.67 -0.08 0.00 -2.27 0.00 0.00 64.05 57.03 1maj n THR 74 Cb 0.00 -0.56 0.09 0.00 -2.10 0.00 0.00 70.33 67.76 1maj n THR 74 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1maj n ASP 75 N -0.03 -2.12 -4.81 3.42 2.03 -1.25 -4.40 116.55 109.39 1maj n ASP 75 Ca 0.26 -3.27 -0.34 0.00 0.52 0.00 0.00 54.79 51.96 1maj n ASP 75 Cb 0.61 1.70 -0.07 0.00 -0.72 0.00 0.00 41.12 42.64 1maj n ASP 75 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1maj s PHE 76 N 0.23 3.39 -0.15 -0.67 0.08 0.53 -3.63 117.98 117.75 1maj s PHE 76 Ca 0.21 1.63 -0.06 0.00 0.12 0.00 0.00 56.93 58.84 1maj s PHE 76 Cb 0.30 -2.86 0.07 0.00 -0.57 0.00 0.00 43.02 39.96 1maj s PHE 76 CO -0.07 -0.03 0.33 0.99 -0.10 0.00 0.00 175.22 176.33 1maj s THR 77 N -2.05 -0.38 -0.59 0.64 2.01 -0.55 0.35 115.64 115.06 1maj s THR 77 Ca 0.59 0.20 -0.25 0.00 0.31 0.00 0.00 61.69 62.55 1maj s THR 77 Cb -0.11 -0.52 0.04 0.00 0.01 0.00 0.00 72.50 71.92 1maj s THR 77 CO 0.15 0.09 1.03 -0.22 -0.69 0.00 0.00 174.62 174.98 1maj s LEU 78 N 2.17 3.92 -0.27 4.42 0.20 0.20 -2.44 118.68 126.88 1maj s LEU 78 Ca -0.03 -0.35 -0.14 0.00 0.69 0.00 0.00 54.13 54.30 1maj s LEU 78 Cb -0.11 -2.82 -0.04 0.00 -0.43 0.00 0.00 46.19 42.79 1maj s LEU 78 CO -0.10 -1.36 0.35 -0.75 -0.29 0.00 0.00 176.35 174.20 1maj s LYS 79 N 4.34 4.01 -0.27 1.98 2.20 0.91 -2.37 119.74 130.53 1maj s LYS 79 Ca 0.32 0.00 -0.06 0.00 -0.36 0.00 0.00 55.97 55.88 1maj s LYS 79 Cb -0.12 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1maj s LYS 79 CO 0.19 -0.27 0.04 0.42 -0.36 0.00 0.00 175.35 175.37 1maj s ILE 80 N 2.04 3.78 0.21 5.43 1.01 -0.08 0.12 121.20 133.70 1maj s ILE 80 Ca 0.14 -0.65 0.24 0.00 0.00 0.00 0.00 60.65 60.38 1maj s ILE 80 Cb -0.16 -2.89 0.23 0.00 0.01 0.00 0.00 42.46 39.65 1maj s ILE 80 CO 0.10 0.17 1.87 0.28 0.00 0.00 0.00 174.94 177.37 1maj h SER 81 N 8.19 0.00 -2.80 3.58 0.02 -1.31 -0.89 113.55 120.33 1maj h SER 81 Ca -0.34 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.23 1maj h SER 81 Cb 1.13 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.29 1maj h SER 81 CO 0.60 0.22 -0.69 -0.13 -1.14 0.00 0.00 176.83 175.69 1maj s ARG 82 N -3.78 0.12 0.05 3.45 1.81 -1.25 -4.26 118.95 115.09 1maj s ARG 82 Ca -0.00 0.09 -0.23 0.00 -1.72 0.00 0.00 55.73 53.87 1maj s ARG 82 Cb 0.11 -1.44 -0.06 0.00 -0.45 0.00 0.00 34.95 33.11 1maj s ARG 82 CO 0.63 -0.64 0.68 0.08 -0.68 0.00 0.00 175.30 175.37 1maj s VAL 83 N 2.24 4.73 0.31 3.52 1.01 -1.08 -4.87 120.40 126.25 1maj s VAL 83 Ca 0.04 1.45 0.03 0.00 0.00 0.00 0.00 61.98 63.50 1maj s VAL 83 Cb -0.16 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 1maj s VAL 83 CO -0.10 0.44 0.07 -1.61 0.00 0.00 0.00 175.10 173.90 1maj s GLU 84 N -0.46 1.60 0.26 2.72 2.02 -1.26 -1.35 118.70 122.23 1maj s GLU 84 Ca 0.34 -1.88 -0.02 0.00 0.02 0.00 0.00 54.97 53.43 1maj s GLU 84 Cb -0.20 -0.73 0.52 0.00 0.10 0.00 0.00 34.13 33.82 1maj s GLU 84 CO 0.21 -0.21 1.73 0.00 0.02 0.00 0.00 175.26 177.00 1maj h ALA 85 N 2.17 1.17 -0.68 5.21 0.00 -1.97 0.11 119.26 125.27 1maj h ALA 85 Ca -0.40 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1maj h ALA 85 Cb 1.25 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1maj h ALA 85 CO 0.68 -0.21 0.33 0.93 0.00 0.00 0.00 179.25 180.98 1maj h GLU 86 N 0.47 0.96 -0.03 0.00 4.39 -2.02 -1.23 114.58 117.12 1maj h GLU 86 Ca 0.45 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 60.04 1maj h GLU 86 Cb 0.71 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1maj h GLU 86 CO -0.42 0.74 0.09 0.22 -1.16 0.00 0.00 179.01 178.47 1maj h ASP 87 N 0.96 0.00 -3.92 1.42 3.58 -1.17 -3.43 116.42 113.86 1maj h ASP 87 Ca 0.24 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 57.13 1maj h ASP 87 Cb 0.09 0.00 0.14 0.00 1.72 0.00 0.00 39.33 41.28 1maj h ASP 87 CO -0.03 0.00 0.54 0.18 -2.88 0.00 0.00 179.24 177.05 1maj n LEU 88 N -3.27 5.20 0.00 2.28 4.77 -0.47 -4.82 117.00 120.69 1maj n LEU 88 Ca -0.02 0.97 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1maj n LEU 88 Cb 0.16 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 1maj n LEU 88 CO 0.21 -0.72 0.00 0.61 -1.33 0.00 0.00 177.39 176.16 1maj n GLY 89 N 0.82 0.68 3.53 -0.72 0.00 -0.31 -4.77 105.19 104.43 1maj n GLY 89 Ca 0.10 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 1maj n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1maj s ILE 90 N -3.54 3.37 0.09 -0.61 1.01 -1.16 -0.50 121.20 119.85 1maj s ILE 90 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1maj s ILE 90 Cb 0.00 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1maj s ILE 90 CO 0.00 0.57 0.11 -0.31 0.00 0.00 0.00 174.94 175.31 1maj s TYR 91 N -0.79 3.25 -0.16 3.97 2.02 0.12 -3.10 117.35 122.66 1maj s TYR 91 Ca 0.12 0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.81 1maj s TYR 91 Cb -0.11 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 39.87 1maj s TYR 91 CO 0.02 0.53 0.40 -0.06 -1.57 0.00 0.00 175.55 174.87 1maj s PHE 92 N -1.45 -0.51 -0.06 2.71 0.08 -0.75 -1.51 117.98 116.49 1maj s PHE 92 Ca 0.31 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.51 1maj s PHE 92 Cb -0.12 0.20 -0.03 0.00 -0.57 0.00 0.00 43.02 42.49 1maj s PHE 92 CO 0.23 -0.27 -0.04 0.00 -0.10 0.00 0.00 175.22 175.04 1maj n SER 94 N 2.01 0.00 -3.70 0.00 3.41 -0.80 -2.72 113.62 111.82 1maj n SER 94 Ca -0.17 -0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 57.88 1maj n SER 94 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 1maj n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1maj s GLN 95 N -0.40 1.55 -0.03 4.33 0.00 -1.26 -1.81 119.66 122.04 1maj s GLN 95 Ca 0.00 -0.80 0.12 0.00 -0.00 0.00 0.00 55.36 54.67 1maj s GLN 95 Cb 0.00 0.59 -0.18 0.00 0.00 0.00 0.00 33.01 33.42 1maj s GLN 95 CO 0.00 -0.69 0.22 0.25 0.00 0.00 0.00 175.29 175.07 1maj n THR 96 N -0.41 0.13 0.07 3.63 -2.24 -0.58 -4.63 114.28 110.24 1maj n THR 96 Ca -0.09 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1maj n THR 96 Cb 0.62 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.87 1maj n THR 96 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1maj h THR 97 N 0.00 0.31 -3.34 4.28 2.02 -1.85 -3.40 112.91 110.93 1maj h THR 97 Ca -0.05 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.57 1maj h THR 97 Cb 0.73 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 1maj h THR 97 CO 0.00 0.00 0.02 -1.00 0.37 0.00 0.00 175.52 174.91 1maj s HIS 98 N -6.01 3.60 -0.01 3.16 4.02 -1.26 -5.06 115.29 113.74 1maj s HIS 98 Ca -0.16 1.18 0.02 0.00 1.02 0.00 0.00 55.06 57.12 1maj s HIS 98 Cb 0.09 -2.70 0.00 0.00 -1.02 0.00 0.00 32.58 28.95 1maj s HIS 98 CO 0.65 0.19 -0.06 0.08 1.02 0.00 0.00 174.74 176.63 1maj s VAL 99 N 0.43 0.49 0.26 -0.90 1.01 -1.26 -2.29 120.40 118.12 1maj s VAL 99 Ca 0.33 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1maj s VAL 99 Cb -0.17 -0.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.67 1maj s VAL 99 CO 0.17 0.16 1.32 -2.16 0.00 0.00 0.00 175.10 174.58 1maj s PRO 100 N 0.12 4.37 0.73 2.72 0.04 -1.26 -5.11 135.00 136.62 1maj s PRO 100 Ca -0.01 2.14 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 1maj s PRO 100 Cb -0.05 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 31.39 1maj s PRO 100 CO -0.00 -0.23 1.17 -1.25 0.04 0.00 0.00 177.00 176.73 1maj s PRO 101 N -0.80 2.21 -0.08 0.56 0.04 -0.97 -4.61 135.00 131.35 1maj s PRO 101 Ca 0.54 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 63.13 1maj s PRO 101 Cb -0.38 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1maj s PRO 101 CO 0.44 -1.75 -0.13 0.25 0.04 0.00 0.00 177.00 175.85 1maj n THR 102 N -2.82 0.78 -1.74 1.26 -2.24 -1.26 -4.92 114.28 103.34 1maj n THR 102 Ca 0.12 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1maj n THR 102 Cb 0.51 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 1maj n THR 102 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1maj n PHE 103 N -3.55 -3.73 0.00 4.78 7.35 -1.26 -5.05 117.46 116.00 1maj n PHE 103 Ca -0.05 2.25 0.00 0.00 -0.76 0.00 0.00 57.45 58.88 1maj n PHE 103 Cb 0.19 -3.30 0.00 0.00 0.35 0.00 0.00 39.48 36.71 1maj n PHE 103 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1maj n GLY 104 N 1.42 -1.39 0.00 7.13 0.00 -1.10 -4.99 105.19 106.26 1maj n GLY 104 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1maj n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1maj n GLY 105 N 0.00 -1.39 0.00 -0.02 0.00 -1.24 -4.72 105.19 97.82 1maj n GLY 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1maj n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1maj n GLY 106 N 0.63 0.75 2.84 -0.02 0.00 -0.57 -4.00 105.19 104.82 1maj n GLY 106 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 1maj n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1maj s THR 107 N -0.22 -0.49 0.17 2.61 2.01 -0.75 -4.55 115.64 114.43 1maj s THR 107 Ca 0.00 -0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.55 1maj s THR 107 Cb 0.00 -0.83 -0.08 0.00 0.01 0.00 0.00 72.50 71.60 1maj s THR 107 CO 0.00 -0.23 0.79 -1.59 -0.69 0.00 0.00 174.62 172.90 1maj s LYS 108 N 2.45 4.60 -0.24 4.92 0.00 -0.84 0.11 119.74 130.73 1maj s LYS 108 Ca 0.10 1.19 -0.01 0.00 0.00 0.00 0.00 55.97 57.25 1maj s LYS 108 Cb -0.15 -3.27 0.07 0.00 0.00 0.00 0.00 37.83 34.48 1maj s LYS 108 CO -0.20 0.56 0.03 -1.17 0.00 0.00 0.00 175.35 174.57 1maj s LEU 109 N -1.11 1.82 -0.14 2.77 0.20 0.34 -0.62 118.68 121.94 1maj s LEU 109 Ca 0.36 -1.13 0.19 0.00 0.69 0.00 0.00 54.13 54.24 1maj s LEU 109 Cb -0.23 -0.81 0.44 0.00 -0.43 0.00 0.00 46.19 45.16 1maj s LEU 109 CO 0.27 -0.32 1.18 1.21 -0.29 0.00 0.00 176.35 178.40 1maj n GLU 110 N 4.90 1.23 -1.04 1.98 2.13 -1.26 -1.16 120.64 127.42 1maj n GLU 110 Ca -0.08 -2.92 0.13 0.00 0.66 0.00 0.00 57.16 54.95 1maj n GLU 110 Cb 0.45 -1.05 -0.06 0.00 0.27 0.00 0.00 31.44 31.05 1maj n GLU 110 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1maj n ILE 111 N -0.33 -0.47 -1.80 6.31 3.06 -1.26 -4.33 119.36 120.54 1maj n ILE 111 Ca 0.15 0.58 -0.37 0.00 -2.50 0.00 0.00 62.75 60.62 1maj n ILE 111 Cb 0.93 -0.93 -0.02 0.00 0.54 0.00 0.00 39.64 40.16 1maj n ILE 111 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 1maj n LYS 112 N -3.72 4.04 0.00 9.51 2.85 0.61 -4.33 118.16 127.12 1maj n LYS 112 Ca -0.06 -3.06 0.15 0.00 -1.05 0.00 0.00 58.31 54.30 1maj n LYS 112 Cb 0.49 -2.54 0.78 0.00 -0.65 0.00 0.00 35.03 33.10 1maj n LYS 112 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24