#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3v s ILE 2 N 0.00 0.92 -0.31 1.12 1.01 -1.26 -1.76 121.20 120.91 1t3v s ILE 2 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1t3v s ILE 2 Cb 0.00 -0.82 0.10 0.00 0.01 0.00 0.00 42.46 41.75 1t3v s ILE 2 CO 0.00 0.06 0.08 -0.63 0.00 0.00 0.00 174.94 174.45 1t3v s ILE 3 N -0.64 1.24 -0.08 2.92 1.01 0.79 -0.54 121.20 125.91 1t3v s ILE 3 Ca 0.01 -1.62 -0.28 0.00 0.00 0.00 0.00 60.65 58.77 1t3v s ILE 3 Cb -0.06 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1t3v s ILE 3 CO 0.00 -0.63 0.92 0.00 0.00 0.00 0.00 174.94 175.24 1t3v s ALA 4 N 1.43 3.34 -0.14 9.38 0.00 -0.77 -0.98 121.76 134.03 1t3v s ALA 4 Ca 0.09 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 1t3v s ALA 4 Cb -0.18 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.68 1t3v s ALA 4 CO -0.20 -0.42 -0.05 0.42 0.00 0.00 0.00 175.76 175.51 1t3v s ILE 5 N 1.54 0.97 -0.02 0.00 1.01 -0.09 -1.24 121.20 123.37 1t3v s ILE 5 Ca 0.46 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 1t3v s ILE 5 Cb -0.19 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1t3v s ILE 5 CO 0.20 0.19 1.17 -2.16 0.00 0.00 0.00 174.94 174.34 1t3v s PRO 6 N 1.71 4.40 0.07 2.79 0.04 -1.26 -0.77 135.00 141.98 1t3v s PRO 6 Ca 0.02 1.66 0.06 0.00 0.04 0.00 0.00 61.00 62.78 1t3v s PRO 6 Cb -0.14 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 1t3v s PRO 6 CO -0.08 -0.35 -0.17 0.14 0.04 0.00 0.00 177.00 176.58 1t3v s VAL 7 N 1.77 1.40 -0.15 -0.36 -7.23 -1.03 -0.52 120.40 114.28 1t3v s VAL 7 Ca 0.56 -1.29 0.23 0.00 -1.81 0.00 0.00 61.98 59.67 1t3v s VAL 7 Cb -0.25 -1.27 0.26 0.00 0.56 0.00 0.00 36.38 35.68 1t3v s VAL 7 CO 0.24 -0.04 1.69 0.28 -0.31 0.00 0.00 175.10 176.96 1t3v h SER 8 N 4.48 0.00 -5.57 4.85 0.02 -1.48 -3.12 113.55 112.73 1t3v h SER 8 Ca -0.42 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.29 1t3v h SER 8 Cb 1.18 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.59 1t3v h SER 8 CO 0.41 0.16 -0.49 -1.61 -1.14 0.00 0.00 176.83 174.17 1t3v s GLU 9 N -3.34 1.38 -0.42 3.45 2.02 -1.26 -4.79 118.70 115.74 1t3v s GLU 9 Ca 0.04 -1.63 0.04 0.00 0.02 0.00 0.00 54.97 53.44 1t3v s GLU 9 Cb 0.07 0.32 0.45 0.00 0.10 0.00 0.00 34.13 35.08 1t3v s GLU 9 CO 0.66 -0.49 1.46 0.27 0.02 0.00 0.00 175.26 177.17 1t3v n ASN 10 N -0.53 5.80 -1.71 -0.19 6.94 -1.26 -4.55 115.26 119.76 1t3v n ASN 10 Ca 0.02 -3.76 -0.10 0.00 -0.02 0.00 0.00 54.58 50.72 1t3v n ASN 10 Cb 0.65 -0.55 0.03 0.00 -2.36 0.00 0.00 39.78 37.55 1t3v n ASN 10 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1t3v n ARG 11 N -0.77 1.49 0.00 -3.83 1.74 -1.26 -4.94 116.66 109.09 1t3v n ARG 11 Ca 0.50 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 1t3v n ARG 11 Cb 0.86 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.91 1t3v n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t3v n GLY 12 N 0.70 0.54 0.14 -0.13 0.00 -1.26 -1.24 105.19 103.93 1t3v n GLY 12 Ca 0.19 0.53 -0.23 0.00 0.00 0.00 0.00 46.02 46.50 1t3v n GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1t3v h LYS 13 N 0.00 0.44 0.00 1.61 -0.00 -2.00 -3.32 116.57 113.31 1t3v h LYS 13 Ca 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 60.65 59.89 1t3v h LYS 13 Cb 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 32.23 32.51 1t3v h LYS 13 CO 0.00 1.36 0.00 -0.25 -0.00 0.00 0.00 179.45 180.56 1t3v n ASP 14 N -3.81 0.00 -4.64 7.07 9.92 -0.38 -2.75 116.55 121.96 1t3v n ASP 14 Ca -0.18 -0.16 -0.55 0.00 -0.53 0.00 0.00 54.79 53.37 1t3v n ASP 14 Cb 1.02 -0.16 -0.07 0.00 -0.64 0.00 0.00 41.12 41.27 1t3v n ASP 14 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1t3v n SER 15 N -1.16 2.49 -4.73 -2.24 7.64 -1.20 -4.80 113.62 109.61 1t3v n SER 15 Ca 0.09 0.91 -0.41 0.00 1.01 0.00 0.00 58.87 60.47 1t3v n SER 15 Cb 0.09 -1.20 -0.05 0.00 -1.01 0.00 0.00 64.21 62.04 1t3v n SER 15 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1t3v s PRO 16 N 4.30 4.72 0.16 1.43 0.04 -1.26 -2.08 135.00 142.32 1t3v s PRO 16 Ca 1.00 1.44 -0.32 0.00 0.04 0.00 0.00 61.00 63.17 1t3v s PRO 16 Cb -0.97 -3.36 -0.10 0.00 0.04 0.00 0.00 34.50 30.11 1t3v s PRO 16 CO 0.60 0.28 1.61 -1.50 0.04 0.00 0.00 177.00 178.02 1t3v s ILE 17 N -0.24 2.55 0.53 0.56 2.07 -0.71 -1.31 121.20 124.65 1t3v s ILE 17 Ca 0.45 0.37 -0.04 0.00 -1.41 0.00 0.00 60.65 60.03 1t3v s ILE 17 Cb -0.24 -3.24 0.00 0.00 0.13 0.00 0.00 42.46 39.12 1t3v s ILE 17 CO 0.30 0.03 0.81 -0.55 -1.91 0.00 0.00 174.94 173.62 1t3v s SER 18 N 1.27 5.73 -0.15 4.50 0.15 0.32 -4.70 113.70 120.81 1t3v s SER 18 Ca 0.71 0.58 -0.19 0.00 0.70 0.00 0.00 55.95 57.75 1t3v s SER 18 Cb -0.44 -1.69 -0.16 0.00 -1.71 0.00 0.00 66.02 62.01 1t3v s SER 18 CO 0.31 -0.90 0.34 -0.08 1.20 0.00 0.00 173.24 174.12 1t3v h GLU 19 N 0.06 0.00 -4.26 5.44 4.81 -1.91 -3.34 114.58 115.38 1t3v h GLU 19 Ca -0.46 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.02 1t3v h GLU 19 Cb 1.25 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.40 1t3v h GLU 19 CO 0.59 0.70 0.12 -1.01 -0.73 0.00 0.00 179.01 178.68 1t3v s HIS 20 N -2.15 3.37 0.23 0.92 3.76 -1.26 -0.74 115.29 119.40 1t3v s HIS 20 Ca -0.18 -1.49 -0.15 0.00 -0.15 0.00 0.00 55.06 53.08 1t3v s HIS 20 Cb 0.01 -3.92 0.26 0.00 1.11 0.00 0.00 32.58 30.04 1t3v s HIS 20 CO 0.48 -1.14 1.58 0.35 -0.85 0.00 0.00 174.74 175.16 1t3v h PHE 21 N 8.54 -0.78 0.00 1.40 3.57 -1.86 0.10 116.94 127.91 1t3v h PHE 21 Ca -0.09 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1t3v h PHE 21 Cb 1.06 0.47 0.00 0.00 2.79 0.00 0.00 35.95 40.27 1t3v h PHE 21 CO 0.93 -0.38 0.00 0.41 -2.23 0.00 0.00 178.31 177.03 1t3v n GLY 22 N -1.49 -0.98 2.53 2.40 0.00 -1.26 -2.53 105.19 103.85 1t3v n GLY 22 Ca 0.09 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1t3v n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1t3v n ARG 23 N -0.50 1.06 -4.45 1.61 3.00 0.21 -4.14 116.66 113.44 1t3v n ARG 23 Ca 0.00 -2.67 -0.34 0.00 -0.00 0.00 0.00 57.85 54.84 1t3v n ARG 23 Cb 0.00 -1.13 -0.11 0.00 0.00 0.00 0.00 32.46 31.23 1t3v n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t3v s ALA 24 N -1.36 3.13 -0.10 5.13 0.00 -0.36 -4.51 121.76 123.69 1t3v s ALA 24 Ca 0.29 -0.83 0.29 0.00 0.00 0.00 0.00 51.96 51.71 1t3v s ALA 24 Cb 0.37 -1.42 0.94 0.00 0.00 0.00 0.00 23.12 23.00 1t3v s ALA 24 CO -0.05 0.50 1.83 -1.00 0.00 0.00 0.00 175.76 177.04 1t3v h PRO 25 N 5.52 0.00 -3.74 0.00 0.13 -1.87 -3.42 132.00 128.62 1t3v h PRO 25 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 1t3v h PRO 25 Cb 1.18 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1t3v h PRO 25 CO 0.56 0.02 -0.23 0.71 -0.23 0.00 0.00 178.00 178.82 1t3v s TYR 26 N -3.48 0.26 -0.24 1.56 1.51 -1.18 -1.38 117.35 114.40 1t3v s TYR 26 Ca 0.03 -0.63 -0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1t3v s TYR 26 Cb 0.07 0.06 0.07 0.00 -0.11 0.00 0.00 41.96 42.05 1t3v s TYR 26 CO 0.60 -0.77 0.04 -0.06 -1.11 0.00 0.00 175.55 174.25 1t3v s PHE 27 N -3.94 1.51 -1.05 2.71 0.08 -0.45 -2.46 117.98 114.37 1t3v s PHE 27 Ca 0.15 -1.31 -0.22 0.00 0.12 0.00 0.00 56.93 55.66 1t3v s PHE 27 Cb 0.02 -1.35 0.05 0.00 -0.57 0.00 0.00 43.02 41.17 1t3v s PHE 27 CO -0.01 -0.73 1.49 0.00 -0.10 0.00 0.00 175.22 175.88 1t3v s ALA 28 N 1.69 2.76 -0.96 5.36 0.00 0.05 -2.67 121.76 127.99 1t3v s ALA 28 Ca 0.02 -2.32 -0.23 0.00 0.00 0.00 0.00 51.96 49.42 1t3v s ALA 28 Cb -0.17 -4.54 0.05 0.00 0.00 0.00 0.00 23.12 18.45 1t3v s ALA 28 CO -0.13 -3.61 1.40 -0.06 0.00 0.00 0.00 175.76 173.36 1t3v s PHE 29 N 5.01 2.52 0.54 0.00 0.08 0.75 -0.91 117.98 125.96 1t3v s PHE 29 Ca 0.47 -0.73 -0.15 0.00 0.12 0.00 0.00 56.93 56.64 1t3v s PHE 29 Cb 0.00 -4.66 -0.07 0.00 -0.57 0.00 0.00 43.02 37.72 1t3v s PHE 29 CO -0.08 -1.94 1.00 0.08 -0.10 0.00 0.00 175.22 174.18 1t3v s VAL 30 N 4.99 4.50 0.04 -0.44 1.01 -0.15 -2.17 120.40 128.18 1t3v s VAL 30 Ca 0.43 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.54 1t3v s VAL 30 Cb -0.02 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1t3v s VAL 30 CO -0.05 -0.76 0.06 0.29 0.00 0.00 0.00 175.10 174.64 1t3v n LYS 31 N -1.84 0.96 -3.82 2.72 5.02 -0.27 -0.15 118.16 120.78 1t3v n LYS 31 Ca 0.07 -0.22 -0.12 0.00 -2.02 0.00 0.00 58.31 56.01 1t3v n LYS 31 Cb 0.54 -0.02 -0.10 0.00 -0.02 0.00 0.00 35.03 35.43 1t3v n LYS 31 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1t3v s VAL 32 N 0.72 0.05 -0.14 -0.18 1.01 -0.72 -4.43 120.40 116.71 1t3v s VAL 32 Ca 0.04 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1t3v s VAL 32 Cb -0.00 -0.45 0.06 0.00 0.00 0.00 0.00 36.38 35.99 1t3v s VAL 32 CO 0.03 -0.23 0.16 -0.75 0.00 0.00 0.00 175.10 174.31 1t3v s LYS 33 N -0.91 0.08 -1.17 2.72 2.47 0.33 -4.55 119.74 118.70 1t3v s LYS 33 Ca -0.10 0.31 -0.29 0.00 -1.56 0.00 0.00 55.97 54.33 1t3v s LYS 33 Cb -0.05 -0.89 0.03 0.00 -1.46 0.00 0.00 37.83 35.46 1t3v s LYS 33 CO 0.02 -0.49 0.72 0.09 0.16 0.00 0.00 175.35 175.84 1t3v n ASN 34 N 5.31 -4.56 0.00 1.43 5.03 -1.26 -0.80 115.26 120.41 1t3v n ASN 34 Ca -0.05 -1.20 0.00 0.00 0.87 0.00 0.00 54.58 54.20 1t3v n ASN 34 Cb 0.50 -2.20 0.00 0.00 -1.02 0.00 0.00 39.78 37.06 1t3v n ASN 34 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1t3v n ASN 35 N -2.32 -3.29 -4.76 6.41 5.15 -1.26 -4.97 115.26 110.22 1t3v n ASN 35 Ca -0.11 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.59 1t3v n ASN 35 Cb 0.57 -2.43 -0.07 0.00 -0.53 0.00 0.00 39.78 37.33 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t3v s ALA 36 N -1.43 3.83 0.40 5.20 0.00 0.02 -5.05 121.76 124.72 1t3v s ALA 36 Ca 0.00 -1.54 0.30 0.00 0.00 0.00 0.00 51.96 50.72 1t3v s ALA 36 Cb 0.00 -0.28 1.52 0.00 0.00 0.00 0.00 23.12 24.36 1t3v s ALA 36 CO 0.00 -0.18 2.09 0.82 0.00 0.00 0.00 175.76 178.48 1t3v h ILE 37 N 1.32 0.45 0.00 0.00 5.03 -1.82 0.95 117.51 123.43 1t3v h ILE 37 Ca -0.42 -0.49 0.00 0.00 -0.12 0.00 0.00 64.86 63.83 1t3v h ILE 37 Cb 1.28 1.34 0.00 0.00 -3.03 0.00 0.00 36.82 36.40 1t3v h ILE 37 CO 0.70 0.10 0.00 0.00 -0.68 0.00 0.00 178.15 178.26 1t3v n ALA 38 N -2.24 0.00 -3.57 1.87 0.00 -1.26 -2.90 120.51 112.41 1t3v n ALA 38 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 1t3v n ALA 38 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 1t3v n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1t3v s ASP 39 N -2.94 -0.07 -0.00 0.00 2.15 -1.26 -4.98 116.67 109.56 1t3v s ASP 39 Ca 0.00 -0.87 0.06 0.00 0.43 0.00 0.00 52.55 52.17 1t3v s ASP 39 Cb 0.00 0.70 -0.02 0.00 -0.30 0.00 0.00 42.92 43.31 1t3v s ASP 39 CO 0.00 -1.34 -0.18 -0.63 -0.17 0.00 0.00 175.17 172.85 1t3v s ILE 40 N -3.60 1.43 -0.05 4.11 -1.09 -1.26 -1.12 121.20 119.62 1t3v s ILE 40 Ca 0.17 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 57.73 1t3v s ILE 40 Cb -0.04 -1.21 0.03 0.00 -1.58 0.00 0.00 42.46 39.66 1t3v s ILE 40 CO 0.09 0.35 0.04 -0.44 -1.23 0.00 0.00 174.94 173.75 1t3v s SER 41 N -0.58 1.19 -0.45 3.58 0.01 -0.92 -4.95 113.70 111.57 1t3v s SER 41 Ca 0.07 0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.39 1t3v s SER 41 Cb -0.07 -0.24 0.18 0.00 0.21 0.00 0.00 66.02 66.10 1t3v s SER 41 CO -0.00 -0.22 0.38 0.52 0.41 0.00 0.00 173.24 174.33 1t3v n VAL 42 N 5.13 -0.75 -2.84 3.43 0.31 -1.26 -0.18 118.33 122.18 1t3v n VAL 42 Ca -0.07 -3.68 -0.28 0.00 -0.01 0.00 0.00 64.34 60.30 1t3v n VAL 42 Cb 0.50 -1.75 -0.01 0.00 -0.91 0.00 0.00 33.84 31.67 1t3v n VAL 42 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1t3v s GLU 43 N -0.27 3.60 0.92 5.55 0.41 -1.09 -4.92 118.70 122.90 1t3v s GLU 43 Ca 0.32 0.19 -0.11 0.00 -0.41 0.00 0.00 54.97 54.96 1t3v s GLU 43 Cb 0.04 -2.44 0.14 0.00 -1.78 0.00 0.00 34.13 30.10 1t3v s GLU 43 CO -0.19 -0.09 1.10 -1.21 -0.49 0.00 0.00 175.26 174.39 1t3v s GLU 44 N -4.36 1.04 -0.54 1.61 2.02 -1.26 -1.35 118.70 115.85 1t3v s GLU 44 Ca 0.47 1.18 -0.16 0.00 0.02 0.00 0.00 54.97 56.48 1t3v s GLU 44 Cb -0.10 -1.76 0.13 0.00 0.10 0.00 0.00 34.13 32.50 1t3v s GLU 44 CO 0.39 -2.50 0.50 1.21 0.02 0.00 0.00 175.26 174.89 1t3v s ASN 45 N -2.99 6.19 0.06 -0.19 2.47 -0.48 -4.56 114.94 115.44 1t3v s ASN 45 Ca 0.65 -1.81 0.12 0.00 0.42 0.00 0.00 52.86 52.24 1t3v s ASN 45 Cb -0.21 -2.20 0.52 0.00 -1.45 0.00 0.00 41.25 37.90 1t3v s ASN 45 CO 0.58 -0.85 1.36 -0.81 -3.72 0.00 0.00 177.10 173.67 1t3v n PRO 46 N 5.22 0.04 -1.92 0.43 -0.04 -1.26 -1.19 135.00 136.27 1t3v n PRO 46 Ca -0.13 0.39 -0.17 0.00 -0.04 0.00 0.00 63.50 63.54 1t3v n PRO 46 Cb 0.40 -1.59 0.05 0.00 -0.04 0.00 0.00 33.50 32.32 1t3v n PRO 46 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1t3v n LEU 47 N -1.66 4.21 -0.26 1.53 4.32 -1.26 -4.66 117.00 119.22 1t3v n LEU 47 Ca 0.02 -4.41 -0.07 0.00 -0.02 0.00 0.00 56.01 51.53 1t3v n LEU 47 Cb 0.11 -0.27 0.05 0.00 -1.62 0.00 0.00 43.42 41.69 1t3v n LEU 47 CO 0.10 1.87 0.97 0.00 -1.22 0.00 0.00 177.39 179.11 1t3v h ALA 48 N 2.06 0.94 0.00 -1.18 0.00 -1.40 -2.85 119.26 116.82 1t3v h ALA 48 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1t3v h ALA 48 Cb 1.45 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1t3v h ALA 48 CO 0.59 0.63 0.00 0.00 0.00 0.00 0.00 179.25 180.47 1t3v n GLN 49 N -4.27 0.59 0.00 0.00 10.64 -1.26 -4.52 117.38 118.55 1t3v n GLN 49 Ca 0.05 -0.67 0.00 0.00 -1.83 0.00 0.00 57.00 54.55 1t3v n GLN 49 Cb 0.23 -0.77 0.00 0.00 -0.86 0.00 0.00 30.24 28.85 1t3v n GLN 49 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1t3v n ASP 50 N -0.14 0.00 0.01 2.61 -0.08 -1.26 -4.85 116.55 112.84 1t3v n ASP 50 Ca 0.00 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.41 1t3v n ASP 50 Cb 0.25 0.00 0.42 0.00 2.34 0.00 0.00 41.12 44.13 1t3v n ASP 50 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1t3v n HIS 51 N 0.00 0.07 0.00 -0.67 8.25 -1.26 -4.97 115.22 116.64 1t3v n HIS 51 Ca 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1t3v n HIS 51 Cb 0.00 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.69 1t3v n HIS 51 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1t3v n VAL 52 N -1.57 0.00 -1.26 1.59 0.31 -1.08 -3.41 118.33 112.91 1t3v n VAL 52 Ca 0.06 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.12 1t3v n VAL 52 Cb 0.35 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.43 1t3v n VAL 52 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1t3v n HIS 53 N 0.00 3.09 -3.16 3.52 8.25 -1.26 -4.42 115.22 121.24 1t3v n HIS 53 Ca 0.00 -2.16 0.04 0.00 -0.26 0.00 0.00 57.72 55.35 1t3v n HIS 53 Cb 0.00 -1.08 -0.01 0.00 1.12 0.00 0.00 29.99 30.02 1t3v n HIS 53 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1t3v s GLY 54 N -1.46 -0.72 0.00 -1.41 0.00 -1.22 -4.95 107.32 97.56 1t3v s GLY 54 Ca 0.59 2.25 0.00 0.00 0.00 0.00 0.00 44.72 47.56 1t3v s GLY 54 CO 0.08 3.55 0.00 0.00 0.00 0.00 0.00 173.10 176.72 1t3v n ALA 55 N 5.44 0.00 -0.25 3.20 0.00 -1.26 -4.70 120.51 122.94 1t3v n ALA 55 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1t3v n ALA 55 Cb 0.52 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.10 1t3v n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1t3v h VAL 56 N 0.00 0.34 0.00 0.00 2.07 -1.86 -0.07 116.25 116.73 1t3v h VAL 56 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1t3v h VAL 56 Cb 0.00 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1t3v h VAL 56 CO 0.00 0.01 0.00 1.55 0.02 0.00 0.00 177.57 179.15 1t3v h PRO 57 N 0.07 0.00 0.00 1.57 0.13 -1.93 -2.57 132.00 129.26 1t3v h PRO 57 Ca 0.38 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.45 1t3v h PRO 57 Cb 0.64 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1t3v h PRO 57 CO -0.67 0.00 -0.29 -0.97 -0.23 0.00 0.00 178.00 175.84 1t3v h ASN 58 N 0.00 0.00 0.00 1.44 -1.24 -1.42 -0.27 115.58 114.09 1t3v h ASN 58 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1t3v h ASN 58 Cb 0.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.38 1t3v h ASN 58 CO 0.00 0.29 -0.00 0.15 -1.29 0.00 0.00 177.43 176.58 1t3v h PHE 59 N 0.00 -0.00 0.00 0.67 3.57 -1.46 -3.34 116.94 116.38 1t3v h PHE 59 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1t3v h PHE 59 Cb 0.64 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1t3v h PHE 59 CO 0.00 -0.00 -0.09 -0.39 -2.23 0.00 0.00 178.31 175.60 1t3v h VAL 60 N -0.01 0.97 -0.46 1.41 -1.51 -1.45 -0.03 116.25 115.17 1t3v h VAL 60 Ca -0.00 -0.32 -0.05 0.00 -1.23 0.00 0.00 66.70 65.10 1t3v h VAL 60 Cb 0.00 1.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.32 1t3v h VAL 60 CO 0.00 0.09 0.07 0.50 -1.23 0.00 0.00 177.57 177.00 1t3v h LYS 61 N 0.00 0.71 0.00 5.19 3.64 -1.24 -1.35 116.57 123.51 1t3v h LYS 61 Ca -0.00 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1t3v h LYS 61 Cb 0.17 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1t3v h LYS 61 CO 0.01 0.67 0.00 1.05 -2.27 0.00 0.00 179.45 178.91 1t3v h GLU 62 N 0.68 0.00 -1.49 1.90 -0.00 -1.11 -3.09 114.58 111.46 1t3v h GLU 62 Ca 0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 59.32 1t3v h GLU 62 Cb 0.31 0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 28.97 1t3v h GLU 62 CO 0.00 0.00 0.25 1.63 -0.00 0.00 0.00 179.01 180.89 1t3v n LYS 63 N -2.38 1.47 -1.94 1.06 4.76 -0.51 -4.88 118.16 115.74 1t3v n LYS 63 Ca 0.02 -0.97 -0.09 0.00 -2.87 0.00 0.00 58.31 54.40 1t3v n LYS 63 Cb 0.26 -1.38 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1t3v n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1t3v n GLY 64 N 0.54 0.08 3.70 0.72 0.00 -1.17 -4.91 105.19 104.15 1t3v n GLY 64 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1t3v n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v s ALA 65 N -2.15 1.15 0.00 4.61 0.00 -1.26 -4.83 121.76 119.28 1t3v s ALA 65 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1t3v s ALA 65 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1t3v s ALA 65 CO 0.00 -2.95 0.00 0.39 0.00 0.00 0.00 175.76 173.20 1t3v n GLU 66 N -4.26 0.00 -4.08 0.00 1.02 -1.20 -4.84 120.64 107.28 1t3v n GLU 66 Ca 0.10 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.14 1t3v n GLU 66 Cb 0.59 -0.44 -0.10 0.00 -0.02 0.00 0.00 31.44 31.46 1t3v n GLU 66 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1t3v s LEU 67 N -1.72 2.40 -0.07 -4.62 1.98 0.30 -2.11 118.68 114.84 1t3v s LEU 67 Ca 0.00 -0.82 -0.12 0.00 -2.89 0.00 0.00 54.13 50.30 1t3v s LEU 67 Cb 0.00 0.04 0.03 0.00 0.66 0.00 0.00 46.19 46.92 1t3v s LEU 67 CO 0.00 -0.43 0.30 -0.69 -1.89 0.00 0.00 176.35 173.63 1t3v s VAL 68 N -2.89 0.03 -0.11 1.68 1.01 -0.81 -1.84 120.40 117.47 1t3v s VAL 68 Ca 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1t3v s VAL 68 Cb 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.92 1t3v s VAL 68 CO -0.05 -0.14 0.04 -0.63 0.00 0.00 0.00 175.10 174.33 1t3v s ILE 69 N -0.56 0.18 0.38 2.22 1.01 -0.37 -1.57 121.20 122.49 1t3v s ILE 69 Ca -0.07 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.61 1t3v s ILE 69 Cb -0.04 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 1t3v s ILE 69 CO 0.02 0.01 0.15 0.68 0.00 0.00 0.00 174.94 175.80 1t3v s VAL 70 N 2.03 0.52 0.00 2.92 -7.23 -0.39 -4.25 120.40 114.00 1t3v s VAL 70 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1t3v s VAL 70 Cb -0.14 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1t3v s VAL 70 CO -0.06 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.59 1t3v n ARG 71 N -0.81 0.00 -0.00 4.82 0.63 -1.25 -2.89 116.66 117.15 1t3v n ARG 71 Ca -0.03 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.95 1t3v n ARG 71 Cb 0.65 -0.15 -0.08 0.00 0.45 0.00 0.00 32.46 33.32 1t3v n ARG 71 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t3v n GLY 72 N 2.52 -0.46 5.54 5.14 0.00 0.08 -2.69 105.19 115.32 1t3v n GLY 72 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1t3v n GLY 72 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t3v n ILE 73 N -1.83 0.00 0.00 -0.61 3.06 -1.11 -4.95 119.36 113.92 1t3v n ILE 73 Ca -0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.23 1t3v n ILE 73 Cb 0.28 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.46 1t3v n ILE 73 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1t3v n GLY 74 N 0.00 4.26 0.30 4.50 0.00 -1.26 -4.60 105.19 108.39 1t3v n GLY 74 Ca 0.00 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.65 1t3v n GLY 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1t3v h ARG 75 N 0.00 0.33 -0.61 1.61 9.65 -1.92 -0.74 114.38 122.71 1t3v h ARG 75 Ca 0.00 -0.02 0.16 0.00 -1.10 0.00 0.00 59.98 59.02 1t3v h ARG 75 Cb 0.00 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 1t3v h ARG 75 CO 0.00 0.22 0.43 -0.09 2.80 0.00 0.00 179.97 183.33 1t3v h ARG 76 N 0.34 0.11 0.00 0.20 9.65 -1.96 0.50 114.38 123.23 1t3v h ARG 76 Ca 0.49 -0.01 -0.16 0.00 -1.10 0.00 0.00 59.98 59.21 1t3v h ARG 76 Cb 0.90 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.42 1t3v h ARG 76 CO -0.52 0.07 -1.27 0.00 2.80 0.00 0.00 179.97 181.05 1t3v h ALA 77 N 1.70 0.65 0.05 2.80 0.00 -1.51 -3.12 119.26 119.83 1t3v h ALA 77 Ca 0.29 -0.77 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1t3v h ALA 77 Cb 0.99 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1t3v h ALA 77 CO -0.03 0.86 -0.11 0.82 0.00 0.00 0.00 179.25 180.78 1t3v h ILE 78 N 0.00 0.74 -0.50 0.00 1.08 -0.88 -2.63 117.51 115.32 1t3v h ILE 78 Ca -0.13 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.48 1t3v h ILE 78 Cb 1.54 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 36.02 1t3v h ILE 78 CO 0.05 0.00 0.49 0.00 -0.69 0.00 0.00 178.15 178.00 1t3v h ALA 79 N 0.72 2.27 0.27 1.87 0.00 -1.19 -0.11 119.26 123.08 1t3v h ALA 79 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1t3v h ALA 79 Cb 0.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1t3v h ALA 79 CO -0.07 -0.75 -0.13 0.00 0.00 0.00 0.00 179.25 178.30 1t3v h ALA 80 N 1.49 -0.37 -0.51 0.00 0.00 -1.41 -3.09 119.26 115.38 1t3v h ALA 80 Ca 0.24 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1t3v h ALA 80 Cb 1.22 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1t3v h ALA 80 CO -0.00 -0.39 0.34 0.74 0.00 0.00 0.00 179.25 179.93 1t3v h PHE 81 N -0.99 0.58 -0.66 0.00 0.04 -1.29 -0.19 116.94 114.43 1t3v h PHE 81 Ca -0.04 0.01 0.15 0.00 2.80 0.00 0.00 57.97 60.89 1t3v h PHE 81 Cb 0.46 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 1t3v h PHE 81 CO 0.04 0.34 0.45 0.93 -0.60 0.00 0.00 178.31 179.47 1t3v h GLU 82 N 0.60 0.24 0.00 1.51 4.39 -1.12 0.96 114.58 121.16 1t3v h GLU 82 Ca 0.20 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1t3v h GLU 82 Cb 0.06 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1t3v h GLU 82 CO -0.05 0.16 0.00 0.00 -1.16 0.00 0.00 179.01 177.96 1t3v n ALA 83 N -2.57 2.22 -0.24 3.43 0.00 -0.08 -3.23 120.51 120.03 1t3v n ALA 83 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1t3v n ALA 83 Cb 0.55 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1t3v n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3v n MET 84 N -1.60 2.31 -1.68 0.00 0.00 -0.53 -4.99 117.12 110.63 1t3v n MET 84 Ca 0.06 -1.30 -0.18 0.00 0.00 0.00 0.00 57.70 56.29 1t3v n MET 84 Cb 0.32 -0.90 -0.06 0.00 0.00 0.00 0.00 33.22 32.58 1t3v n MET 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1t3v n GLY 85 N -0.40 1.34 3.65 3.17 0.00 -0.72 -4.95 105.19 107.28 1t3v n GLY 85 Ca 0.00 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1t3v n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t3v s VAL 86 N -2.71 4.69 0.45 1.61 1.01 0.22 -4.96 120.40 120.72 1t3v s VAL 86 Ca 0.00 1.93 -0.23 0.00 0.00 0.00 0.00 61.98 63.68 1t3v s VAL 86 Cb 0.00 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 1t3v s VAL 86 CO 0.00 -0.19 1.14 -0.75 0.00 0.00 0.00 175.10 175.30 1t3v s LYS 87 N 3.18 3.83 -0.22 2.72 2.20 -0.90 -4.25 119.74 126.30 1t3v s LYS 87 Ca 0.43 1.70 -0.02 0.00 -0.36 0.00 0.00 55.97 57.71 1t3v s LYS 87 Cb -0.15 -2.41 0.07 0.00 -1.51 0.00 0.00 37.83 33.83 1t3v s LYS 87 CO 0.07 -0.47 0.04 0.08 -0.36 0.00 0.00 175.35 174.71 1t3v s VAL 88 N -1.59 0.63 0.08 4.02 1.01 -1.26 -1.93 120.40 121.36 1t3v s VAL 88 Ca 0.63 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1t3v s VAL 88 Cb -0.27 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1t3v s VAL 88 CO 0.32 -0.30 0.33 -0.63 0.00 0.00 0.00 175.10 174.82 1t3v s ILE 89 N 1.79 5.23 0.11 2.22 1.01 -0.61 -4.70 121.20 126.26 1t3v s ILE 89 Ca 0.01 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.74 1t3v s ILE 89 Cb -0.17 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 1t3v s ILE 89 CO -0.12 0.18 0.03 0.29 0.00 0.00 0.00 174.94 175.33 1t3v n LYS 90 N 0.52 0.95 -1.00 2.79 4.01 -1.26 -1.27 118.16 122.91 1t3v n LYS 90 Ca -0.06 -0.95 0.00 0.00 -0.51 0.00 0.00 58.31 56.79 1t3v n LYS 90 Cb 0.52 0.48 0.00 0.00 -0.51 0.00 0.00 35.03 35.52 1t3v n LYS 90 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1t3v n GLY 91 N 1.73 0.31 0.00 0.72 0.00 -1.09 -4.79 105.19 102.07 1t3v n GLY 91 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1t3v n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v n ALA 92 N 1.00 0.00 -3.50 4.61 0.00 -1.24 -5.05 120.51 116.34 1t3v n ALA 92 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1t3v n ALA 92 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.62 1t3v n ALA 92 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1t3v s SER 93 N -1.00 -0.40 0.00 0.00 1.04 -1.26 -4.85 113.70 107.24 1t3v s SER 93 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1t3v s SER 93 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1t3v s SER 93 CO 0.00 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1t3v n GLY 94 N -0.16 -0.04 3.89 7.32 0.00 -1.26 -4.52 105.19 110.42 1t3v n GLY 94 Ca -0.10 -2.27 -0.29 0.00 0.00 0.00 0.00 46.02 43.35 1t3v n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t3v s THR 95 N 0.00 2.58 0.10 2.61 -4.23 -1.26 -1.74 115.64 113.70 1t3v s THR 95 Ca 0.00 0.19 -0.27 0.00 -1.18 0.00 0.00 61.69 60.43 1t3v s THR 95 Cb 0.00 -3.18 -0.11 0.00 1.34 0.00 0.00 72.50 70.55 1t3v s THR 95 CO 0.00 -0.25 1.65 0.58 -0.54 0.00 0.00 174.62 176.07 1t3v h VAL 96 N -0.91 0.51 -0.96 2.29 2.07 -1.22 -0.84 116.25 117.18 1t3v h VAL 96 Ca -0.46 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.25 1t3v h VAL 96 Cb 1.30 0.51 -0.11 0.00 -1.52 0.00 0.00 31.29 31.47 1t3v h VAL 96 CO 0.65 0.00 0.55 1.05 0.02 0.00 0.00 177.57 179.84 1t3v h GLU 97 N -0.47 0.67 0.00 1.57 4.11 -1.87 -1.63 114.58 116.96 1t3v h GLU 97 Ca 0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 1t3v h GLU 97 Cb 0.45 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1t3v h GLU 97 CO -0.07 0.44 -0.01 1.49 0.07 0.00 0.00 179.01 180.93 1t3v h GLU 98 N 0.69 0.01 -0.97 1.06 4.81 -1.82 -1.97 114.58 116.39 1t3v h GLU 98 Ca 0.56 -0.01 0.26 0.00 -0.13 0.00 0.00 59.36 60.04 1t3v h GLU 98 Cb 0.88 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.21 1t3v h GLU 98 CO -0.40 0.90 0.67 0.28 -0.73 0.00 0.00 179.01 179.73 1t3v h VAL 99 N -0.88 0.56 0.19 0.32 2.07 -0.84 -0.04 116.25 117.63 1t3v h VAL 99 Ca -0.00 -0.06 -0.31 0.00 0.82 0.00 0.00 66.70 67.14 1t3v h VAL 99 Cb 0.90 0.35 0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1t3v h VAL 99 CO 0.00 0.03 -1.47 0.58 0.02 0.00 0.00 177.57 176.74 1t3v h VAL 100 N 0.19 1.15 -0.45 2.57 2.07 -1.22 -2.89 116.25 117.68 1t3v h VAL 100 Ca 0.49 -2.56 0.09 0.00 0.82 0.00 0.00 66.70 65.54 1t3v h VAL 100 Cb 1.61 2.91 -0.07 0.00 -1.52 0.00 0.00 31.29 34.22 1t3v h VAL 100 CO -0.11 0.80 -0.02 0.78 0.02 0.00 0.00 177.57 179.04 1t3v h ASN 101 N -0.03 -0.22 -0.82 0.57 -0.26 -0.48 -0.80 115.58 113.54 1t3v h ASN 101 Ca -0.28 0.11 0.03 0.00 -0.56 0.00 0.00 56.30 55.60 1t3v h ASN 101 Cb 2.00 0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 39.41 1t3v h ASN 101 CO 0.19 -0.07 0.53 1.56 -1.06 0.00 0.00 177.43 178.57 1t3v h GLN 102 N 0.09 1.00 0.12 0.81 1.08 -1.06 0.10 115.11 117.26 1t3v h GLN 102 Ca 0.22 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1t3v h GLN 102 Cb 0.33 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1t3v h GLN 102 CO -0.38 0.66 -0.06 -0.92 -0.95 0.00 0.00 178.83 177.18 1t3v h TYR 103 N 1.03 -0.15 0.00 2.96 3.20 -1.26 -1.20 116.97 121.54 1t3v h TYR 103 Ca 0.33 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 1t3v h TYR 103 Cb 0.01 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1t3v h TYR 103 CO -0.02 0.13 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.53 1t3v h LEU 104 N -0.43 0.00 -0.88 2.82 3.38 -0.53 0.02 115.31 119.69 1t3v h LEU 104 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1t3v h LEU 104 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1t3v h LEU 104 CO 0.03 0.02 0.00 -0.24 0.09 0.00 0.00 178.44 178.34 1t3v n SER 105 N -4.03 1.36 0.00 -0.43 2.88 0.29 -4.94 113.62 108.75 1t3v n SER 105 Ca -0.03 -1.47 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 1t3v n SER 105 Cb 0.11 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1t3v n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3v n GLY 106 N 1.15 0.70 0.08 0.46 0.00 -0.01 -4.92 105.19 102.66 1t3v n GLY 106 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1t3v n GLY 106 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t3v h GLN 107 N 2.11 0.11 -6.48 1.61 1.08 -1.42 -3.46 115.11 108.66 1t3v h GLN 107 Ca 0.00 -0.08 -0.53 0.00 -1.45 0.00 0.00 58.65 56.60 1t3v h GLN 107 Cb 0.00 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1t3v h GLN 107 CO 0.00 0.69 0.30 -1.17 -0.95 0.00 0.00 178.83 177.70 1t3v s LEU 108 N -8.93 4.49 0.02 1.46 2.96 -1.13 -5.00 118.68 112.55 1t3v s LEU 108 Ca -0.16 1.69 -0.07 0.00 -0.22 0.00 0.00 54.13 55.37 1t3v s LEU 108 Cb 0.02 -3.47 -0.00 0.00 0.50 0.00 0.00 46.19 43.23 1t3v s LEU 108 CO 0.71 -0.04 0.13 -0.75 -1.32 0.00 0.00 176.35 175.08 1t3v s LYS 109 N -0.04 0.56 -0.05 1.98 2.47 -1.26 -4.80 119.74 118.61 1t3v s LYS 109 Ca 0.44 -0.58 0.11 0.00 -1.56 0.00 0.00 55.97 54.38 1t3v s LYS 109 Cb -0.22 0.23 0.41 0.00 -1.46 0.00 0.00 37.83 36.78 1t3v s LYS 109 CO 0.28 -0.14 1.27 -0.40 0.16 0.00 0.00 175.35 176.51 1t3v n ASP 110 N 1.04 2.80 -3.44 1.43 5.75 -1.26 -4.18 116.55 118.69 1t3v n ASP 110 Ca -0.21 -2.20 -0.40 0.00 -0.01 0.00 0.00 54.79 51.97 1t3v n ASP 110 Cb 0.57 -0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 1t3v n ASP 110 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1t3v n SER 111 N 0.58 8.15 -2.92 -1.12 3.41 -1.26 -4.45 113.62 116.02 1t3v n SER 111 Ca 0.15 -2.94 -0.14 0.00 -0.26 0.00 0.00 58.87 55.68 1t3v n SER 111 Cb 0.52 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 1t3v n SER 111 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1t3v n ASP 112 N 2.49 -1.81 -3.56 4.04 -0.08 -1.26 -5.14 116.55 111.23 1t3v n ASP 112 Ca 0.67 -3.05 -0.04 0.00 -1.51 0.00 0.00 54.79 50.86 1t3v n ASP 112 Cb 0.25 0.92 -0.00 0.00 2.34 0.00 0.00 41.12 44.62 1t3v n ASP 112 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1t3v s TYR 113 N 0.04 -0.05 -1.53 -0.67 5.04 -1.26 -4.95 117.35 113.96 1t3v s TYR 113 Ca 0.33 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 1t3v s TYR 113 Cb 0.19 0.68 0.00 0.00 0.35 0.00 0.00 41.96 43.18 1t3v s TYR 113 CO -0.19 -0.93 0.00 0.39 -1.34 0.00 0.00 175.55 173.48 1t3v n GLU 114 N -0.55 -1.67 -1.94 4.97 1.02 -1.26 -4.86 120.64 116.36 1t3v n GLU 114 Ca -0.05 0.86 -0.35 0.00 -0.02 0.00 0.00 57.16 57.60 1t3v n GLU 114 Cb 0.60 -5.32 0.04 0.00 -0.02 0.00 0.00 31.44 26.74 1t3v n GLU 114 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1t3v n VAL 115 N -2.85 3.26 -2.12 2.62 3.14 -1.26 -4.85 118.33 116.27 1t3v n VAL 115 Ca -0.17 -4.17 -0.01 0.00 -2.96 0.00 0.00 64.34 57.03 1t3v n VAL 115 Cb 0.58 -1.22 -0.01 0.00 -1.06 0.00 0.00 33.84 32.13 1t3v n VAL 115 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1t3v n HIS 116 N -0.61 -2.18 -4.09 1.45 -0.00 -1.26 -5.11 115.22 103.41 1t3v n HIS 116 Ca 0.52 1.05 -0.15 0.00 0.46 0.00 0.00 57.72 59.59 1t3v n HIS 116 Cb 0.46 -2.82 -0.04 0.00 -0.12 0.00 0.00 29.99 27.47 1t3v n HIS 116 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1t3v s ASP 117 N -0.73 0.99 0.00 0.26 -1.08 -1.26 -5.11 116.67 109.74 1t3v s ASP 117 Ca -0.04 -1.52 0.00 0.00 -0.52 0.00 0.00 52.55 50.48 1t3v s ASP 117 Cb 0.00 0.67 0.00 0.00 -1.46 0.00 0.00 42.92 42.13 1t3v s ASP 117 CO 0.42 -1.31 0.00 0.00 0.52 0.00 0.00 175.17 174.79 1t3v n HIS 118 N -0.58 -0.22 -3.25 -5.34 1.44 -1.26 -5.12 115.22 100.89 1t3v n HIS 118 Ca 0.01 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.43 1t3v n HIS 118 Cb 0.61 0.06 0.03 0.00 0.12 0.00 0.00 29.99 30.82 1t3v n HIS 118 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1t3v n HIS 119 N -1.63 -1.95 -3.66 -1.40 8.25 -1.26 -4.96 115.22 108.62 1t3v n HIS 119 Ca 0.00 0.82 -0.21 0.00 -0.26 0.00 0.00 57.72 58.07 1t3v n HIS 119 Cb 0.00 -1.46 -0.04 0.00 1.12 0.00 0.00 29.99 29.62 1t3v n HIS 119 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1t3v s HIS 120 N -1.25 2.72 0.00 4.41 -3.43 -1.26 -4.85 115.29 111.63 1t3v s HIS 120 Ca 0.28 -0.48 0.00 0.00 -0.80 0.00 0.00 55.06 54.06 1t3v s HIS 120 Cb -0.03 -2.11 0.00 0.00 -1.43 0.00 0.00 32.58 29.01 1t3v s HIS 120 CO 0.64 -0.05 0.00 0.72 -2.00 0.00 0.00 174.74 174.05 1t3v n HIS 121 N -1.49 0.00 -3.85 0.38 8.25 -1.26 -5.17 115.22 112.08 1t3v n HIS 121 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 1t3v n HIS 121 Cb 0.62 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.60 1t3v n HIS 121 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1t3v s GLU 122 N 0.00 0.13 0.51 -0.41 2.12 -1.26 -5.17 118.70 114.62 1t3v s GLU 122 Ca 0.00 0.05 -0.09 0.00 0.36 0.00 0.00 54.97 55.29 1t3v s GLU 122 Cb 0.00 0.06 0.12 0.00 0.26 0.00 0.00 34.13 34.58 1t3v s GLU 122 CO 0.00 -0.02 0.53 -2.39 -0.54 0.00 0.00 175.26 172.84 1t3v n HIS 123 N 2.86 -3.61 0.70 5.30 1.44 -1.26 -5.04 115.22 115.61 1t3v n HIS 123 Ca -0.14 -0.48 0.06 0.00 -2.01 0.00 0.00 57.72 55.15 1t3v n HIS 123 Cb 0.59 -0.50 0.33 0.00 0.12 0.00 0.00 29.99 30.54 1t3v n HIS 123 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11