#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 0.27 -0.25 1.12 1.01 -1.26 -3.46 121.20 118.62 1t3v s ILE 2 Ca 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 1t3v s ILE 2 Cb 0.00 -0.42 0.08 0.00 0.01 0.00 0.00 42.46 42.13 1t3v s ILE 2 CO 0.00 -0.48 0.05 -0.63 0.00 0.00 0.00 174.94 173.89 1t3v s ILE 3 N -1.51 0.80 0.35 2.92 1.01 0.83 -0.67 121.20 124.92 1t3v s ILE 3 Ca -0.13 -1.02 -0.25 0.00 0.00 0.00 0.00 60.65 59.25 1t3v s ILE 3 Cb -0.09 -1.41 -0.10 0.00 0.01 0.00 0.00 42.46 40.86 1t3v s ILE 3 CO -0.01 -0.42 0.94 0.00 0.00 0.00 0.00 174.94 175.46 1t3v s ALA 4 N 1.70 3.17 -0.18 9.38 0.00 -0.31 -0.51 121.76 135.01 1t3v s ALA 4 Ca 0.03 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.44 1t3v s ALA 4 Cb -0.17 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 19.86 1t3v s ALA 4 CO -0.16 0.17 0.17 0.42 0.00 0.00 0.00 175.76 176.36 1t3v s ILE 5 N -1.76 -0.25 -0.02 0.00 1.01 -1.04 -0.59 121.20 118.55 1t3v s ILE 5 Ca 0.53 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 1t3v s ILE 5 Cb -0.16 -0.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.66 1t3v s ILE 5 CO 0.21 -0.18 1.52 -2.16 0.00 0.00 0.00 174.94 174.32 1t3v s PRO 6 N 2.27 4.23 0.24 2.79 0.04 -1.26 -0.76 135.00 142.55 1t3v s PRO 6 Ca 0.05 2.08 0.08 0.00 0.04 0.00 0.00 61.00 63.25 1t3v s PRO 6 Cb -0.15 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 1t3v s PRO 6 CO -0.10 -0.70 0.04 0.14 0.04 0.00 0.00 177.00 176.42 1t3v s VAL 7 N 3.05 3.74 0.16 -0.36 -7.23 -0.64 -0.30 120.40 118.82 1t3v s VAL 7 Ca 0.68 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1t3v s VAL 7 Cb -0.33 -2.98 -0.13 0.00 0.56 0.00 0.00 36.38 33.50 1t3v s VAL 7 CO 0.27 -0.31 1.39 0.28 -0.31 0.00 0.00 175.10 176.42 1t3v h SER 8 N 1.97 0.46 -5.06 4.85 0.02 -1.05 -3.33 113.55 111.41 1t3v h SER 8 Ca -0.46 -0.33 -0.12 0.00 -0.84 0.00 0.00 61.79 60.05 1t3v h SER 8 Cb 1.24 -0.14 -0.18 0.00 0.14 0.00 0.00 62.40 63.46 1t3v h SER 8 CO 0.60 1.09 -0.40 -1.61 -1.14 0.00 0.00 176.83 175.37 1t3v s GLU 9 N -3.47 0.67 -0.35 3.45 0.41 -1.26 -4.78 118.70 113.37 1t3v s GLU 9 Ca -0.05 -0.59 -0.29 0.00 -0.41 0.00 0.00 54.97 53.63 1t3v s GLU 9 Cb 0.10 0.28 0.02 0.00 -1.78 0.00 0.00 34.13 32.74 1t3v s GLU 9 CO 0.84 -0.19 1.08 1.21 -0.49 0.00 0.00 175.26 177.71 1t3v s ASN 10 N -1.98 6.87 -0.25 -0.19 2.47 -1.26 -4.17 114.94 116.43 1t3v s ASN 10 Ca -0.06 0.93 0.22 0.00 0.42 0.00 0.00 52.86 54.37 1t3v s ASN 10 Cb -0.02 -2.54 0.50 0.00 -1.45 0.00 0.00 41.25 37.74 1t3v s ASN 10 CO -0.03 -0.94 1.12 0.54 -3.72 0.00 0.00 177.10 174.07 1t3v n ARG 11 N 7.02 1.82 -3.33 0.43 1.74 -1.26 -4.91 116.66 118.18 1t3v n ARG 11 Ca 0.12 -3.51 -0.25 0.00 -0.77 0.00 0.00 57.85 53.44 1t3v n ARG 11 Cb 0.47 -1.61 0.01 0.00 -1.02 0.00 0.00 32.46 30.32 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 -0.57 -0.57 4.11 -0.13 0.00 -1.26 -1.65 105.19 105.11 1t3v n GLY 12 Ca 0.10 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1t3v n GLY 12 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1t3v n LYS 13 N -1.39 0.00 0.00 1.61 2.85 -1.26 -4.69 118.16 115.29 1t3v n LYS 13 Ca -0.19 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.16 1t3v n LYS 13 Cb 0.55 -0.39 0.40 0.00 -0.65 0.00 0.00 35.03 34.94 1t3v n LYS 13 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t3v n ASP 14 N 0.75 0.00 -4.32 -5.58 8.00 -0.66 -2.06 116.55 112.68 1t3v n ASP 14 Ca 0.00 0.31 -0.55 0.00 0.71 0.00 0.00 54.79 55.26 1t3v n ASP 14 Cb 0.00 -0.42 -0.11 0.00 -0.02 0.00 0.00 41.12 40.57 1t3v n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1t3v n SER 15 N -1.42 0.93 -4.74 -2.24 7.64 -1.20 -4.71 113.62 107.89 1t3v n SER 15 Ca 0.06 0.54 -0.41 0.00 1.01 0.00 0.00 58.87 60.07 1t3v n SER 15 Cb 0.18 -0.97 -0.04 0.00 -1.01 0.00 0.00 64.21 62.36 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 6.51 4.62 0.54 1.43 0.04 -1.26 -0.98 135.00 145.91 1t3v s PRO 16 Ca 1.20 1.65 -0.22 0.00 0.04 0.00 0.00 61.00 63.67 1t3v s PRO 16 Cb -1.34 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 29.84 1t3v s PRO 16 CO 0.60 0.11 1.28 1.51 0.04 0.00 0.00 177.00 180.54 1t3v n ILE 17 N 2.49 3.68 -1.99 0.56 3.06 -0.32 -0.66 119.36 126.18 1t3v n ILE 17 Ca 0.03 -0.50 -0.28 0.00 -2.50 0.00 0.00 62.75 59.49 1t3v n ILE 17 Cb 0.47 -1.56 0.10 0.00 0.54 0.00 0.00 39.64 39.19 1t3v n ILE 17 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1t3v s SER 18 N -0.93 4.38 0.05 9.51 0.15 0.58 -4.16 113.70 123.29 1t3v s SER 18 Ca 0.71 0.61 -0.14 0.00 0.70 0.00 0.00 55.95 57.83 1t3v s SER 18 Cb -0.43 -1.07 -0.30 0.00 -1.71 0.00 0.00 66.02 62.51 1t3v s SER 18 CO 0.50 -1.95 1.08 -0.33 1.20 0.00 0.00 173.24 173.74 1t3v h GLU 19 N -1.02 0.56 0.00 5.44 5.08 -1.92 -3.42 114.58 119.29 1t3v h GLU 19 Ca -0.45 -0.81 -0.23 0.00 -1.00 0.00 0.00 59.36 56.86 1t3v h GLU 19 Cb 1.31 0.28 -0.05 0.00 0.50 0.00 0.00 28.75 30.79 1t3v h GLU 19 CO 0.60 1.37 -0.20 0.72 -1.00 0.00 0.00 179.01 180.51 1t3v n HIS 20 N -3.74 0.01 -0.00 4.33 8.25 -1.26 -0.14 115.22 122.66 1t3v n HIS 20 Ca -0.14 -1.11 -0.00 0.00 -0.26 0.00 0.00 57.72 56.20 1t3v n HIS 20 Cb 1.02 0.01 -0.00 0.00 1.12 0.00 0.00 29.99 32.15 1t3v n HIS 20 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1t3v n PHE 21 N -0.37 0.00 0.28 4.41 -0.00 -1.26 -4.55 117.46 115.97 1t3v n PHE 21 Ca -0.02 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.55 1t3v n PHE 21 Cb 0.26 -0.01 0.79 0.00 -0.00 0.00 0.00 39.48 40.52 1t3v n PHE 21 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1t3v h GLY 22 N 0.01 0.00 -6.29 7.13 0.00 -1.95 -2.44 103.07 99.53 1t3v h GLY 22 Ca -0.01 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1t3v h GLY 22 CO -0.00 0.00 -0.79 -0.96 0.00 0.00 0.00 176.54 174.79 1t3v n ARG 23 N -4.16 1.60 -3.96 4.80 1.85 -1.26 -4.84 116.66 110.69 1t3v n ARG 23 Ca -0.03 -4.03 -0.36 0.00 -1.00 0.00 0.00 57.85 52.43 1t3v n ARG 23 Cb 0.09 -1.87 -0.07 0.00 -1.05 0.00 0.00 32.46 29.55 1t3v n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3v s ALA 24 N -1.64 3.73 -0.37 2.89 0.00 -0.92 -4.74 121.76 120.70 1t3v s ALA 24 Ca 0.35 -0.68 0.22 0.00 0.00 0.00 0.00 51.96 51.85 1t3v s ALA 24 Cb 0.11 -1.90 0.31 0.00 0.00 0.00 0.00 23.12 21.65 1t3v s ALA 24 CO -0.09 0.55 1.59 -1.00 0.00 0.00 0.00 175.76 176.81 1t3v h PRO 25 N 5.26 0.00 -2.68 0.00 0.13 -1.87 -3.40 132.00 129.44 1t3v h PRO 25 Ca -0.52 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.49 1t3v h PRO 25 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1t3v h PRO 25 CO 0.60 0.10 -0.22 0.71 -0.23 0.00 0.00 178.00 178.95 1t3v s TYR 26 N -3.18 -0.50 -0.36 1.56 2.02 -1.25 -1.37 117.35 114.28 1t3v s TYR 26 Ca 0.06 1.18 0.04 0.00 -0.37 0.00 0.00 57.07 57.98 1t3v s TYR 26 Cb 0.06 0.18 0.10 0.00 -0.40 0.00 0.00 41.96 41.90 1t3v s TYR 26 CO 0.68 -0.25 0.07 -0.06 -1.57 0.00 0.00 175.55 174.43 1t3v s PHE 27 N 0.41 3.56 -1.32 2.71 0.08 -0.97 -1.62 117.98 120.84 1t3v s PHE 27 Ca -0.02 -2.94 -0.18 0.00 0.12 0.00 0.00 56.93 53.92 1t3v s PHE 27 Cb -0.04 -2.83 0.05 0.00 -0.57 0.00 0.00 43.02 39.63 1t3v s PHE 27 CO -0.02 -0.92 1.84 0.00 -0.10 0.00 0.00 175.22 176.02 1t3v n ALA 28 N 4.17 3.84 -2.12 5.36 0.00 0.06 -2.87 120.51 128.95 1t3v n ALA 28 Ca 0.04 -3.81 -0.34 0.00 0.00 0.00 0.00 53.44 49.33 1t3v n ALA 28 Cb 0.41 -3.59 -0.04 0.00 0.00 0.00 0.00 19.45 16.23 1t3v n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1t3v s PHE 29 N 4.36 1.84 0.75 0.00 0.08 -0.33 -2.50 117.98 122.18 1t3v s PHE 29 Ca 0.53 0.52 -0.11 0.00 0.12 0.00 0.00 56.93 58.00 1t3v s PHE 29 Cb 0.06 -4.16 0.05 0.00 -0.57 0.00 0.00 43.02 38.40 1t3v s PHE 29 CO 0.05 -2.01 1.12 0.08 -0.10 0.00 0.00 175.22 174.36 1t3v s VAL 30 N 8.96 2.62 0.08 -0.44 1.01 0.33 -0.97 120.40 131.99 1t3v s VAL 30 Ca 0.64 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1t3v s VAL 30 Cb -0.09 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 1t3v s VAL 30 CO 0.08 -0.24 0.01 0.29 0.00 0.00 0.00 175.10 175.24 1t3v n LYS 31 N -3.13 1.55 -3.68 2.72 5.02 -0.62 -0.12 118.16 119.92 1t3v n LYS 31 Ca 0.07 -0.58 -0.12 0.00 -2.02 0.00 0.00 58.31 55.66 1t3v n LYS 31 Cb 0.59 0.20 -0.09 0.00 -0.02 0.00 0.00 35.03 35.71 1t3v n LYS 31 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1t3v s VAL 32 N -1.42 -0.00 -0.04 -0.18 0.11 -1.15 -4.49 120.40 113.21 1t3v s VAL 32 Ca 0.01 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1t3v s VAL 32 Cb 0.00 -0.79 0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1t3v s VAL 32 CO 0.01 0.01 0.08 -0.75 -3.33 0.00 0.00 175.10 171.11 1t3v s LYS 33 N 0.70 -0.01 -1.50 1.54 2.47 0.21 -4.72 119.74 118.43 1t3v s LYS 33 Ca -0.03 0.32 -0.11 0.00 -1.56 0.00 0.00 55.97 54.59 1t3v s LYS 33 Cb -0.05 -0.29 0.07 0.00 -1.46 0.00 0.00 37.83 36.10 1t3v s LYS 33 CO -0.05 -0.22 0.90 0.09 0.16 0.00 0.00 175.35 176.23 1t3v n ASN 34 N 4.56 -3.85 0.00 1.43 3.02 -1.26 -0.78 115.26 118.39 1t3v n ASN 34 Ca -0.20 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1t3v n ASN 34 Cb 0.50 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.87 1t3v n ASN 34 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1t3v n ASN 35 N -2.87 -4.83 -4.75 6.41 5.15 -1.26 -4.99 115.26 108.11 1t3v n ASN 35 Ca -0.03 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.71 1t3v n ASN 35 Cb 0.56 -2.67 -0.06 0.00 -0.53 0.00 0.00 39.78 37.08 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 -1.29 3.61 0.58 5.20 0.00 0.04 -5.04 121.76 124.85 1t3v s ALA 36 Ca 0.00 -1.96 0.27 0.00 0.00 0.00 0.00 51.96 50.27 1t3v s ALA 36 Cb 0.00 -0.61 1.65 0.00 0.00 0.00 0.00 23.12 24.17 1t3v s ALA 36 CO 0.00 -0.09 2.15 0.82 0.00 0.00 0.00 175.76 178.64 1t3v h ILE 37 N 1.43 0.56 0.00 0.00 5.03 -1.81 0.62 117.51 123.34 1t3v h ILE 37 Ca -0.43 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.31 1t3v h ILE 37 Cb 1.25 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 35.94 1t3v h ILE 37 CO 0.65 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 178.12 1t3v n ALA 38 N -2.37 0.00 -3.55 1.87 0.00 -1.26 -2.95 120.51 112.24 1t3v n ALA 38 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1t3v n ALA 38 Cb 0.24 0.00 -0.03 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 0.00 -0.28 -0.01 0.00 -1.08 -1.26 -5.00 116.67 109.05 1t3v s ASP 39 Ca 0.00 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.10 1t3v s ASP 39 Cb 0.00 0.28 0.01 0.00 -1.46 0.00 0.00 42.92 41.74 1t3v s ASP 39 CO 0.00 -0.42 -0.01 -0.63 0.52 0.00 0.00 175.17 174.63 1t3v s ILE 40 N -2.48 0.11 0.01 4.11 1.01 -1.26 -1.58 121.20 121.11 1t3v s ILE 40 Ca 0.06 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1t3v s ILE 40 Cb -0.01 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.30 1t3v s ILE 40 CO -0.06 0.05 -0.07 -0.44 0.00 0.00 0.00 174.94 174.42 1t3v s SER 41 N 0.19 4.60 -0.39 3.58 0.01 -0.14 -4.99 113.70 116.56 1t3v s SER 41 Ca -0.02 -0.16 0.08 0.00 1.31 0.00 0.00 55.95 57.17 1t3v s SER 41 Cb -0.03 -1.06 0.26 0.00 0.21 0.00 0.00 66.02 65.40 1t3v s SER 41 CO -0.01 0.28 0.56 0.52 0.41 0.00 0.00 173.24 175.01 1t3v n VAL 42 N 1.53 -0.60 -2.75 3.43 0.31 -1.26 -1.19 118.33 117.80 1t3v n VAL 42 Ca -0.15 -4.00 -0.41 0.00 -0.01 0.00 0.00 64.34 59.77 1t3v n VAL 42 Cb 0.52 -1.60 -0.05 0.00 -0.91 0.00 0.00 33.84 31.81 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 -1.29 4.75 0.57 5.55 0.41 -1.14 -4.84 118.70 122.72 1t3v s GLU 43 Ca 0.36 1.45 -0.19 0.00 -0.41 0.00 0.00 54.97 56.18 1t3v s GLU 43 Cb 0.20 -3.34 -0.05 0.00 -1.78 0.00 0.00 34.13 29.16 1t3v s GLU 43 CO -0.11 0.33 1.17 -1.21 -0.49 0.00 0.00 175.26 174.96 1t3v s GLU 44 N -0.45 3.13 -0.49 1.61 8.01 -1.26 -2.29 118.70 126.96 1t3v s GLU 44 Ca 0.44 1.74 -0.23 0.00 0.01 0.00 0.00 54.97 56.93 1t3v s GLU 44 Cb -0.24 -1.96 0.04 0.00 -4.31 0.00 0.00 34.13 27.65 1t3v s GLU 44 CO 0.30 -1.06 0.81 1.21 0.01 0.00 0.00 175.26 176.53 1t3v s ASN 45 N -1.67 6.35 0.00 -0.19 2.47 -0.47 -4.83 114.94 116.59 1t3v s ASN 45 Ca 0.75 -0.35 0.11 0.00 0.42 0.00 0.00 52.86 53.80 1t3v s ASN 45 Cb -0.28 -2.38 0.48 0.00 -1.45 0.00 0.00 41.25 37.62 1t3v s ASN 45 CO 0.30 -1.02 1.30 -0.81 -3.72 0.00 0.00 177.10 173.16 1t3v n PRO 46 N 6.87 0.05 -2.05 0.43 -0.04 -1.26 -2.83 135.00 136.17 1t3v n PRO 46 Ca 0.00 0.27 -0.10 0.00 -0.04 0.00 0.00 63.50 63.64 1t3v n PRO 46 Cb 0.47 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.43 3.17 0.13 1.53 4.77 -1.26 -4.76 117.00 119.15 1t3v n LEU 47 Ca 0.03 -3.82 -0.00 0.00 -0.03 0.00 0.00 56.01 52.19 1t3v n LEU 47 Cb 0.11 -0.07 0.11 0.00 -2.33 0.00 0.00 43.42 41.24 1t3v n LEU 47 CO 0.09 1.51 0.44 0.00 -1.33 0.00 0.00 177.39 178.11 1t3v h ALA 48 N 2.05 0.76 0.00 -1.18 0.00 -1.74 -3.38 119.26 115.77 1t3v h ALA 48 Ca 0.10 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1t3v h ALA 48 Cb 1.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1t3v h ALA 48 CO 0.41 0.80 0.00 0.00 0.00 0.00 0.00 179.25 180.46 1t3v n GLN 49 N -3.51 0.10 -3.20 0.00 10.64 -1.26 -4.72 117.38 115.43 1t3v n GLN 49 Ca -0.00 -0.33 -0.44 0.00 -1.83 0.00 0.00 57.00 54.39 1t3v n GLN 49 Cb 0.70 -0.62 -0.06 0.00 -0.86 0.00 0.00 30.24 29.40 1t3v n GLN 49 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1t3v s ASP 50 N -0.08 6.20 0.00 2.61 2.15 -1.26 -4.66 116.67 121.63 1t3v s ASP 50 Ca 0.00 -1.19 0.00 0.00 0.43 0.00 0.00 52.55 51.79 1t3v s ASP 50 Cb 0.00 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1t3v s ASP 50 CO 0.00 -0.91 0.00 1.57 -0.17 0.00 0.00 175.17 175.66 1t3v n HIS 51 N 5.98 0.00 -1.72 -5.34 -0.00 -1.26 -3.43 115.22 109.45 1t3v n HIS 51 Ca -0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.49 1t3v n HIS 51 Cb 0.44 -1.08 -0.04 0.00 -0.00 0.00 0.00 29.99 29.31 1t3v n HIS 51 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1t3v n VAL 52 N -0.81 -0.20 -1.90 3.57 0.31 -1.26 -4.73 118.33 113.31 1t3v n VAL 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1t3v n VAL 52 Cb 0.00 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 1t3v n VAL 52 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1t3v n HIS 53 N -2.40 0.00 -1.20 3.52 -0.00 -1.22 -4.93 115.22 108.99 1t3v n HIS 53 Ca -0.15 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.22 1t3v n HIS 53 Cb 0.51 0.11 -0.03 0.00 -0.00 0.00 0.00 29.99 30.58 1t3v n HIS 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1t3v n GLY 54 N 0.00 3.98 2.31 1.57 0.00 -1.24 -4.59 105.19 107.22 1t3v n GLY 54 Ca 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 1t3v n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v n ALA 55 N 3.87 -0.58 -0.30 4.61 0.00 -1.26 -4.89 120.51 121.96 1t3v n ALA 55 Ca 0.70 0.15 0.03 0.00 0.00 0.00 0.00 53.44 54.32 1t3v n ALA 55 Cb 0.22 -1.56 0.09 0.00 0.00 0.00 0.00 19.45 18.20 1t3v n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1t3v n VAL 56 N -2.98 -0.37 0.18 0.00 0.31 -1.26 -0.59 118.33 113.62 1t3v n VAL 56 Ca -0.15 1.91 0.06 0.00 -0.01 0.00 0.00 64.34 66.14 1t3v n VAL 56 Cb 0.57 -2.60 0.26 0.00 -0.91 0.00 0.00 33.84 31.15 1t3v n VAL 56 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1t3v h PRO 57 N 0.00 0.00 -0.38 5.55 0.13 -1.97 -2.98 132.00 132.35 1t3v h PRO 57 Ca 0.37 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.36 1t3v h PRO 57 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1t3v h PRO 57 CO -0.84 0.35 -0.29 -0.97 -0.23 0.00 0.00 178.00 176.01 1t3v h ASN 58 N 0.00 0.86 0.17 1.44 -0.73 -1.24 0.55 115.58 116.63 1t3v h ASN 58 Ca -0.00 -0.35 -0.00 0.00 1.87 0.00 0.00 56.30 57.82 1t3v h ASN 58 Cb 1.03 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.37 1t3v h ASN 58 CO 0.05 1.09 -0.23 0.15 -0.37 0.00 0.00 177.43 178.12 1t3v h PHE 59 N 0.70 -0.64 -0.72 0.67 3.57 -1.44 -2.34 116.94 116.73 1t3v h PHE 59 Ca 0.08 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1t3v h PHE 59 Cb 0.84 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.80 1t3v h PHE 59 CO 0.05 -0.29 0.48 -0.39 -2.23 0.00 0.00 178.31 175.92 1t3v h VAL 60 N -0.41 1.18 0.00 1.41 -1.51 -1.44 -0.28 116.25 115.20 1t3v h VAL 60 Ca -0.02 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1t3v h VAL 60 Cb 0.37 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.66 1t3v h VAL 60 CO -0.06 0.18 0.06 0.50 -1.23 0.00 0.00 177.57 177.01 1t3v h LYS 61 N 0.96 0.00 0.00 5.19 3.64 -0.81 0.32 116.57 125.88 1t3v h LYS 61 Ca 0.26 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1t3v h LYS 61 Cb -0.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1t3v h LYS 61 CO -0.06 0.00 -0.54 1.05 -2.27 0.00 0.00 179.45 177.63 1t3v h GLU 62 N 0.00 0.00 -1.60 1.90 -0.00 -0.48 -3.37 114.58 111.03 1t3v h GLU 62 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 59.21 1t3v h GLU 62 Cb 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 28.79 1t3v h GLU 62 CO 0.00 0.54 0.20 1.63 -0.00 0.00 0.00 179.01 181.37 1t3v n LYS 63 N -3.33 1.38 -2.03 1.06 4.76 0.11 -4.86 118.16 115.25 1t3v n LYS 63 Ca 0.01 -0.76 -0.05 0.00 -2.87 0.00 0.00 58.31 54.64 1t3v n LYS 63 Cb 0.70 -1.30 -0.01 0.00 -1.84 0.00 0.00 35.03 32.58 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 0.76 -0.16 3.68 0.72 0.00 -1.26 -4.92 105.19 104.01 1t3v n GLY 64 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.99 1.02 0.00 4.61 0.00 -1.26 -4.64 121.76 119.50 1t3v s ALA 65 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1t3v s ALA 65 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1t3v s ALA 65 CO 0.00 -2.88 0.00 0.39 0.00 0.00 0.00 175.76 173.27 1t3v n GLU 66 N -4.21 1.25 -4.20 0.00 1.02 -1.00 -4.84 120.64 108.65 1t3v n GLU 66 Ca 0.06 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.06 1t3v n GLU 66 Cb 0.58 -0.38 -0.11 0.00 -0.02 0.00 0.00 31.44 31.52 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 -0.72 2.43 -0.01 -4.62 2.96 0.15 -2.02 118.68 116.85 1t3v s LEU 67 Ca 0.00 -0.85 -0.04 0.00 -0.22 0.00 0.00 54.13 53.01 1t3v s LEU 67 Cb 0.00 -0.35 -0.00 0.00 0.50 0.00 0.00 46.19 46.34 1t3v s LEU 67 CO 0.00 -0.26 0.08 -0.69 -1.32 0.00 0.00 176.35 174.16 1t3v s VAL 68 N -2.59 0.06 -0.17 1.68 1.01 -0.60 -1.16 120.40 118.63 1t3v s VAL 68 Ca 0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1t3v s VAL 68 Cb -0.02 -0.29 0.05 0.00 0.00 0.00 0.00 36.38 36.12 1t3v s VAL 68 CO 0.01 -0.28 -0.03 -0.63 0.00 0.00 0.00 175.10 174.16 1t3v s ILE 69 N -0.92 0.95 0.41 2.22 1.01 0.24 -1.28 121.20 123.82 1t3v s ILE 69 Ca -0.10 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 59.98 1t3v s ILE 69 Cb -0.06 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1t3v s ILE 69 CO 0.00 0.04 0.11 0.68 0.00 0.00 0.00 174.94 175.77 1t3v s VAL 70 N 1.69 0.71 0.00 2.92 -7.23 0.12 -4.31 120.40 114.30 1t3v s VAL 70 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1t3v s VAL 70 Cb -0.16 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1t3v s VAL 70 CO -0.07 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.58 1t3v n ARG 71 N -0.91 0.00 -2.95 4.82 0.63 -1.26 -1.97 116.66 115.02 1t3v n ARG 71 Ca -0.06 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.51 1t3v n ARG 71 Cb 0.65 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.55 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 4.29 5.52 3.44 5.14 0.00 0.80 -2.32 105.19 122.06 1t3v n GLY 72 Ca 0.00 -2.69 -0.30 0.00 0.00 0.00 0.00 46.02 43.03 1t3v n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1t3v s ILE 73 N -3.60 1.49 0.15 -0.61 2.07 -1.26 -4.35 121.20 115.09 1t3v s ILE 73 Ca 0.39 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.68 1t3v s ILE 73 Cb 0.16 -2.22 -0.04 0.00 0.13 0.00 0.00 42.46 40.48 1t3v s ILE 73 CO -0.04 0.00 -0.11 -0.83 -1.91 0.00 0.00 174.94 172.05 1t3v s GLY 74 N -3.31 1.11 0.39 1.50 0.00 -1.26 -4.95 107.32 100.81 1t3v s GLY 74 Ca 0.69 -1.50 0.06 0.00 0.00 0.00 0.00 44.72 43.97 1t3v s GLY 74 CO 0.58 -1.60 2.04 -0.09 0.00 0.00 0.00 173.10 174.04 1t3v h ARG 75 N 2.80 0.63 -0.95 2.90 9.65 -2.00 -0.67 114.38 126.75 1t3v h ARG 75 Ca -0.37 -0.04 0.09 0.00 -1.10 0.00 0.00 59.98 58.56 1t3v h ARG 75 Cb 1.19 -0.14 -0.07 0.00 -1.39 0.00 0.00 29.97 29.56 1t3v h ARG 75 CO 0.63 0.42 0.59 -0.09 2.80 0.00 0.00 179.97 184.32 1t3v h ARG 76 N 0.65 0.99 0.00 0.20 2.43 -1.98 -1.17 114.38 115.50 1t3v h ARG 76 Ca 0.18 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1t3v h ARG 76 Cb -0.08 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.24 1t3v h ARG 76 CO -0.04 0.65 -0.46 0.00 -1.51 0.00 0.00 179.97 178.61 1t3v h ALA 77 N 1.47 0.86 -0.13 2.80 0.00 -1.55 -2.28 119.26 120.42 1t3v h ALA 77 Ca 0.44 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1t3v h ALA 77 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1t3v h ALA 77 CO -0.21 0.58 0.07 0.82 0.00 0.00 0.00 179.25 180.51 1t3v h ILE 78 N 0.00 1.09 0.00 0.00 1.08 -1.20 -2.87 117.51 115.60 1t3v h ILE 78 Ca -0.00 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1t3v h ILE 78 Cb 1.10 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1t3v h ILE 78 CO 0.06 0.08 -0.00 0.00 -0.69 0.00 0.00 178.15 177.60 1t3v h ALA 79 N 0.98 1.05 0.57 1.87 0.00 -0.74 -0.23 119.26 122.75 1t3v h ALA 79 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1t3v h ALA 79 Cb 0.06 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1t3v h ALA 79 CO -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 179.25 178.97 1t3v h ALA 80 N 2.00 -0.76 -0.67 0.00 0.00 -1.19 -2.90 119.26 115.73 1t3v h ALA 80 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1t3v h ALA 80 Cb 0.01 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1t3v h ALA 80 CO 0.00 -0.79 0.30 0.74 0.00 0.00 0.00 179.25 179.50 1t3v h PHE 81 N -1.05 0.97 -0.45 0.00 0.04 -1.39 -1.09 116.94 113.97 1t3v h PHE 81 Ca -0.08 -0.05 0.13 0.00 2.80 0.00 0.00 57.97 60.78 1t3v h PHE 81 Cb 0.65 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 1t3v h PHE 81 CO 0.01 0.73 0.33 0.93 -0.60 0.00 0.00 178.31 179.70 1t3v h GLU 82 N 0.96 0.00 0.00 1.51 4.39 -1.13 0.14 114.58 120.45 1t3v h GLU 82 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1t3v h GLU 82 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1t3v h GLU 82 CO -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.82 1t3v n ALA 83 N -2.63 1.95 -1.04 3.43 0.00 -0.41 -2.99 120.51 118.82 1t3v n ALA 83 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1t3v n ALA 83 Cb 0.53 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.42 0.63 -3.07 0.00 0.00 -0.26 -5.01 117.12 107.99 1t3v n MET 84 Ca 0.06 -0.93 -0.20 0.00 0.00 0.00 0.00 57.70 56.63 1t3v n MET 84 Cb 0.20 -0.66 0.00 0.00 0.00 0.00 0.00 33.22 32.76 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 -0.19 -0.49 3.65 3.17 0.00 -0.03 -4.92 105.19 106.37 1t3v n GLY 85 Ca 0.01 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.88 4.53 0.47 1.61 1.01 0.28 -4.97 120.40 120.45 1t3v s VAL 86 Ca 0.28 1.80 -0.23 0.00 0.00 0.00 0.00 61.98 63.83 1t3v s VAL 86 Cb -0.14 -4.34 -0.07 0.00 0.00 0.00 0.00 36.38 31.82 1t3v s VAL 86 CO 0.34 -0.36 1.18 -0.75 0.00 0.00 0.00 175.10 175.51 1t3v s LYS 87 N 3.53 3.70 -0.20 2.72 2.20 -0.86 -4.40 119.74 126.43 1t3v s LYS 87 Ca 0.46 1.82 -0.02 0.00 -0.36 0.00 0.00 55.97 57.87 1t3v s LYS 87 Cb -0.14 -2.39 0.06 0.00 -1.51 0.00 0.00 37.83 33.85 1t3v s LYS 87 CO 0.13 -0.62 0.03 0.54 -0.36 0.00 0.00 175.35 175.07 1t3v s VAL 88 N -1.52 0.62 0.23 4.02 0.11 -1.26 -1.56 120.40 121.04 1t3v s VAL 88 Ca 0.64 -0.62 -0.28 0.00 -2.93 0.00 0.00 61.98 58.79 1t3v s VAL 88 Cb -0.30 -1.10 -0.09 0.00 -1.53 0.00 0.00 36.38 33.36 1t3v s VAL 88 CO 0.36 -0.19 0.89 -0.63 -3.33 0.00 0.00 175.10 172.20 1t3v s ILE 89 N 1.81 4.17 0.41 7.04 1.01 -0.41 -4.63 121.20 130.61 1t3v s ILE 89 Ca -0.01 1.95 0.04 0.00 0.00 0.00 0.00 60.65 62.63 1t3v s ILE 89 Cb -0.17 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1t3v s ILE 89 CO -0.08 0.47 0.05 -0.54 0.00 0.00 0.00 174.94 174.84 1t3v s LYS 90 N -1.26 1.93 -0.06 2.79 1.02 -1.26 -0.70 119.74 122.21 1t3v s LYS 90 Ca 0.40 -2.15 0.00 0.00 0.02 0.00 0.00 55.97 54.24 1t3v s LYS 90 Cb -0.24 -1.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.90 1t3v s LYS 90 CO 0.30 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1t3v n GLY 91 N -0.96 0.35 3.59 -3.33 0.00 -0.83 -4.84 105.19 99.17 1t3v n GLY 91 Ca -0.08 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1t3v n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v s ALA 92 N -1.66 0.39 0.03 4.61 0.00 -0.86 -4.95 121.76 119.33 1t3v s ALA 92 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 51.96 51.19 1t3v s ALA 92 Cb 0.00 -3.07 0.07 0.00 0.00 0.00 0.00 23.12 20.11 1t3v s ALA 92 CO 0.00 -3.39 0.63 -1.54 0.00 0.00 0.00 175.76 171.46 1t3v s SER 93 N -3.34 -0.59 0.00 0.00 1.04 -1.26 -4.59 113.70 104.96 1t3v s SER 93 Ca 0.68 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.51 1t3v s SER 93 Cb -0.18 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1t3v s SER 93 CO 0.59 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1t3v n GLY 94 N 0.43 0.94 3.93 7.32 0.00 -1.26 -4.70 105.19 111.84 1t3v n GLY 94 Ca -0.18 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.36 2.14 0.07 2.61 -4.23 -1.26 -1.18 115.64 111.43 1t3v s THR 95 Ca 0.00 -0.18 -0.30 0.00 -1.18 0.00 0.00 61.69 60.03 1t3v s THR 95 Cb 0.00 -2.96 -0.18 0.00 1.34 0.00 0.00 72.50 70.70 1t3v s THR 95 CO 0.00 0.00 1.64 0.58 -0.54 0.00 0.00 174.62 176.30 1t3v h VAL 96 N -0.89 0.49 -0.34 2.29 2.07 -0.78 -0.73 116.25 118.36 1t3v h VAL 96 Ca -0.44 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1t3v h VAL 96 Cb 1.30 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1t3v h VAL 96 CO 0.56 0.00 0.21 1.05 0.02 0.00 0.00 177.57 179.42 1t3v h GLU 97 N -0.70 0.44 0.04 1.57 4.11 -1.71 0.85 114.58 119.18 1t3v h GLU 97 Ca -0.07 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.33 1t3v h GLU 97 Cb 0.54 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1t3v h GLU 97 CO 0.12 0.30 -0.02 1.49 0.07 0.00 0.00 179.01 180.97 1t3v h GLU 98 N 0.46 -0.05 -0.76 1.06 4.81 -1.82 -0.91 114.58 117.37 1t3v h GLU 98 Ca 0.12 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1t3v h GLU 98 Cb -0.04 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1t3v h GLU 98 CO -0.02 0.50 0.49 0.28 -0.73 0.00 0.00 179.01 179.52 1t3v h VAL 99 N -0.63 1.13 0.28 0.32 2.07 -0.71 0.16 116.25 118.88 1t3v h VAL 99 Ca -0.01 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1t3v h VAL 99 Cb 0.57 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1t3v h VAL 99 CO 0.01 0.17 -0.24 0.58 0.02 0.00 0.00 177.57 178.11 1t3v h VAL 100 N 0.96 0.49 -0.84 2.57 2.07 -0.86 -2.03 116.25 118.61 1t3v h VAL 100 Ca 0.30 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.89 1t3v h VAL 100 Cb -0.02 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 1t3v h VAL 100 CO -0.10 0.00 0.51 -1.13 0.02 0.00 0.00 177.57 176.87 1t3v h ASN 101 N -0.54 0.78 -0.23 0.57 -1.24 -0.42 -0.02 115.58 114.48 1t3v h ASN 101 Ca -0.01 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1t3v h ASN 101 Cb 0.48 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 1t3v h ASN 101 CO -0.03 0.49 0.12 1.56 -1.29 0.00 0.00 177.43 178.28 1t3v h GLN 102 N 0.91 0.37 0.20 6.67 4.20 -0.45 0.46 115.11 127.46 1t3v h GLN 102 Ca 0.37 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.78 1t3v h GLN 102 Cb 0.21 -0.08 0.03 0.00 0.30 0.00 0.00 27.48 27.95 1t3v h GLN 102 CO -0.19 0.30 -1.16 -0.92 -0.67 0.00 0.00 178.83 176.19 1t3v h TYR 103 N 0.37 0.79 -0.04 2.96 3.20 -0.54 -0.61 116.97 123.11 1t3v h TYR 103 Ca 0.10 -0.57 0.01 0.00 3.14 0.00 0.00 58.73 61.41 1t3v h TYR 103 Cb 0.05 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1t3v h TYR 103 CO 0.00 1.44 0.03 -0.07 -1.64 0.00 0.00 178.16 177.93 1t3v h LEU 104 N -0.09 0.00 -0.28 2.82 4.07 -0.73 0.13 115.31 121.23 1t3v h LEU 104 Ca -0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.76 1t3v h LEU 104 Cb 1.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.66 1t3v h LEU 104 CO 0.22 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.38 1t3v n SER 105 N -4.36 0.49 -0.25 -0.43 7.64 0.12 -4.92 113.62 111.91 1t3v n SER 105 Ca -0.02 0.59 -0.03 0.00 1.01 0.00 0.00 58.87 60.41 1t3v n SER 105 Cb 0.13 -0.70 -0.01 0.00 -1.01 0.00 0.00 64.21 62.61 1t3v n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3v n GLY 106 N 0.57 0.52 0.08 0.23 0.00 0.46 -4.91 105.19 102.14 1t3v n GLY 106 Ca 0.04 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 0.32 -0.06 -6.77 1.61 1.08 -1.33 -3.43 115.11 106.52 1t3v h GLN 107 Ca -0.07 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.61 1t3v h GLN 107 Cb 0.62 0.01 0.06 0.00 -0.05 0.00 0.00 27.48 28.12 1t3v h GLN 107 CO 0.10 0.36 0.74 -0.51 -0.95 0.00 0.00 178.83 178.56 1t3v s LEU 108 N -9.34 4.39 0.13 1.46 1.43 -1.00 -5.02 118.68 110.73 1t3v s LEU 108 Ca -0.15 2.67 -0.07 0.00 -1.03 0.00 0.00 54.13 55.56 1t3v s LEU 108 Cb 0.02 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1t3v s LEU 108 CO 0.65 -0.67 0.18 -1.59 0.23 0.00 0.00 176.35 175.14 1t3v s LYS 109 N -0.66 0.97 -0.70 1.70 0.00 -1.26 -4.83 119.74 114.97 1t3v s LYS 109 Ca 0.57 -1.17 -0.27 0.00 0.00 0.00 0.00 55.97 55.10 1t3v s LYS 109 Cb -0.41 0.32 0.03 0.00 0.00 0.00 0.00 37.83 37.77 1t3v s LYS 109 CO 0.45 -0.32 1.25 0.34 0.00 0.00 0.00 175.35 177.08 1t3v s ASP 110 N -2.95 6.23 -0.44 0.03 2.15 -1.26 -4.15 116.67 116.29 1t3v s ASP 110 Ca 0.14 -0.32 0.09 0.00 0.43 0.00 0.00 52.55 52.89 1t3v s ASP 110 Cb 0.05 -2.56 0.40 0.00 -0.30 0.00 0.00 42.92 40.51 1t3v s ASP 110 CO -0.04 -1.74 0.97 -1.54 -0.17 0.00 0.00 175.17 172.66 1t3v n SER 111 N 9.11 3.33 -3.21 -0.34 3.41 -1.26 -4.97 113.62 119.68 1t3v n SER 111 Ca 0.04 -3.38 -0.23 0.00 -0.26 0.00 0.00 58.87 55.05 1t3v n SER 111 Cb 0.49 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 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 -0.21 -0.64 -3.64 4.04 2.03 -1.26 -5.07 116.55 111.80 1t3v n ASP 112 Ca 0.28 -2.61 -0.10 0.00 0.52 0.00 0.00 54.79 52.88 1t3v n ASP 112 Cb 0.63 -0.23 -0.07 0.00 -0.72 0.00 0.00 41.12 40.72 1t3v n ASP 112 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1t3v s TYR 113 N -0.33 -0.77 0.00 -0.67 6.14 -1.26 -4.97 117.35 115.49 1t3v s TYR 113 Ca 0.34 1.74 0.00 0.00 0.64 0.00 0.00 57.07 59.78 1t3v s TYR 113 Cb 0.10 0.38 0.00 0.00 0.42 0.00 0.00 41.96 42.87 1t3v s TYR 113 CO -0.16 -0.37 0.00 0.39 0.64 0.00 0.00 175.55 176.05 1t3v n GLU 114 N 3.06 0.00 -1.32 4.97 -0.58 -1.26 -5.17 120.64 120.35 1t3v n GLU 114 Ca -0.15 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.76 1t3v n GLU 114 Cb 0.56 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.38 1t3v n GLU 114 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1t3v n VAL 115 N 0.00 0.00 -3.40 2.62 0.31 -1.26 -5.01 118.33 111.60 1t3v n VAL 115 Ca 0.00 0.28 0.02 0.00 -0.01 0.00 0.00 64.34 64.63 1t3v n VAL 115 Cb 0.00 -0.73 -0.04 0.00 -0.91 0.00 0.00 33.84 32.16 1t3v n VAL 115 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1t3v s HIS 116 N -2.77 -0.69 0.54 3.52 2.46 -1.26 -5.17 115.29 111.91 1t3v s HIS 116 Ca 0.00 1.19 0.09 0.00 0.47 0.00 0.00 55.06 56.80 1t3v s HIS 116 Cb 0.00 0.41 0.07 0.00 -0.13 0.00 0.00 32.58 32.93 1t3v s HIS 116 CO 0.00 -0.35 0.74 0.16 -2.47 0.00 0.00 174.74 172.83 1t3v s ASP 117 N 2.48 5.22 0.03 9.88 -4.77 -1.26 -5.04 116.67 123.20 1t3v s ASP 117 Ca -0.02 -0.71 0.00 0.00 -3.30 0.00 0.00 52.55 48.52 1t3v s ASP 117 Cb -0.06 0.03 0.00 0.00 -1.09 0.00 0.00 42.92 41.79 1t3v s ASP 117 CO -0.17 -1.21 0.00 1.57 0.70 0.00 0.00 175.17 176.06 1t3v n HIS 118 N -2.17 -1.75 -2.21 2.11 -0.00 -1.26 -5.11 115.22 104.83 1t3v n HIS 118 Ca 0.14 0.09 -0.26 0.00 0.46 0.00 0.00 57.72 58.14 1t3v n HIS 118 Cb 0.61 0.51 0.06 0.00 -0.12 0.00 0.00 29.99 31.06 1t3v n HIS 118 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1t3v s HIS 119 N -2.00 2.95 0.52 1.57 -3.43 -1.26 -5.15 115.29 108.50 1t3v s HIS 119 Ca 0.00 0.47 0.04 0.00 -0.80 0.00 0.00 55.06 54.77 1t3v s HIS 119 Cb 0.00 -3.15 0.01 0.00 -1.43 0.00 0.00 32.58 28.01 1t3v s HIS 119 CO 0.00 -1.35 0.22 -1.01 -2.00 0.00 0.00 174.74 170.59 1t3v s HIS 120 N -3.23 1.80 0.24 0.38 3.76 -1.26 -5.18 115.29 111.80 1t3v s HIS 120 Ca 0.59 -0.87 -0.19 0.00 -0.15 0.00 0.00 55.06 54.44 1t3v s HIS 120 Cb -0.11 -1.79 0.03 0.00 1.11 0.00 0.00 32.58 31.82 1t3v s HIS 120 CO 0.45 -0.13 0.62 -1.58 -0.85 0.00 0.00 174.74 173.25 1t3v s HIS 121 N -2.81 -0.15 0.11 1.40 5.04 -1.26 -5.17 115.29 112.46 1t3v s HIS 121 Ca 0.22 -0.23 0.00 0.00 -1.54 0.00 0.00 55.06 53.51 1t3v s HIS 121 Cb -0.00 0.54 0.00 0.00 0.04 0.00 0.00 32.58 33.16 1t3v s HIS 121 CO 0.13 -1.07 0.00 -1.91 -2.34 0.00 0.00 174.74 169.55 1t3v n GLU 122 N -0.41 -0.98 -1.08 2.88 4.07 -1.26 -5.05 120.64 118.80 1t3v n GLU 122 Ca -0.07 0.65 0.15 0.00 -0.06 0.00 0.00 57.16 57.83 1t3v n GLU 122 Cb 0.61 -1.20 -0.04 0.00 -0.06 0.00 0.00 31.44 30.75 1t3v n GLU 122 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1t3v n HIS 123 N -2.40 -3.22 0.70 4.31 8.25 -1.26 -5.33 115.22 116.28 1t3v n HIS 123 Ca 0.00 1.35 0.08 0.00 -0.26 0.00 0.00 57.72 58.89 1t3v n HIS 123 Cb 0.22 -2.45 0.07 0.00 1.12 0.00 0.00 29.99 28.95 1t3v n HIS 123 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70