#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 1.28 -0.29 1.12 1.01 -1.26 -2.13 121.20 120.93 1t3v s ILE 2 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 1t3v s ILE 2 Cb 0.00 -1.10 0.09 0.00 0.01 0.00 0.00 42.46 41.46 1t3v s ILE 2 CO 0.00 0.37 0.09 -0.63 0.00 0.00 0.00 174.94 174.77 1t3v s ILE 3 N 0.04 0.76 0.32 2.92 1.01 0.77 -0.78 121.20 126.25 1t3v s ILE 3 Ca -0.03 -1.23 -0.26 0.00 0.00 0.00 0.00 60.65 59.13 1t3v s ILE 3 Cb -0.10 -1.53 -0.10 0.00 0.01 0.00 0.00 42.46 40.74 1t3v s ILE 3 CO 0.02 -0.61 0.94 0.00 0.00 0.00 0.00 174.94 175.29 1t3v s ALA 4 N 1.69 3.21 -0.13 9.38 0.00 -1.00 -0.65 121.76 134.27 1t3v s ALA 4 Ca 0.08 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 1t3v s ALA 4 Cb -0.17 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1t3v s ALA 4 CO -0.24 0.18 0.01 0.42 0.00 0.00 0.00 175.76 176.13 1t3v s ILE 5 N -1.60 0.50 -0.29 0.00 1.01 -0.01 -0.43 121.20 120.38 1t3v s ILE 5 Ca 0.50 -0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 1t3v s ILE 5 Cb -0.19 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.49 1t3v s ILE 5 CO 0.24 0.08 1.37 -2.16 0.00 0.00 0.00 174.94 174.47 1t3v s PRO 6 N 1.90 3.86 0.21 2.79 0.04 -1.26 -0.72 135.00 141.82 1t3v s PRO 6 Ca 0.03 1.31 0.06 0.00 0.04 0.00 0.00 61.00 62.43 1t3v s PRO 6 Cb -0.14 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.44 1t3v s PRO 6 CO -0.07 -1.19 0.15 0.14 0.04 0.00 0.00 177.00 176.07 1t3v s VAL 7 N 4.63 4.38 0.06 -0.36 -7.23 -1.19 -0.26 120.40 120.43 1t3v s VAL 7 Ca 0.60 -1.28 0.19 0.00 -1.81 0.00 0.00 61.98 59.67 1t3v s VAL 7 Cb -0.18 -3.30 0.13 0.00 0.56 0.00 0.00 36.38 33.59 1t3v s VAL 7 CO 0.25 -0.23 1.66 0.28 -0.31 0.00 0.00 175.10 176.75 1t3v h SER 8 N 1.99 0.00 -5.02 4.85 0.02 -1.19 -3.36 113.55 110.84 1t3v h SER 8 Ca -0.48 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.37 1t3v h SER 8 Cb 1.22 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.57 1t3v h SER 8 CO 0.62 0.39 -0.23 -1.61 -1.14 0.00 0.00 176.83 174.86 1t3v s GLU 9 N -3.41 0.76 -0.44 3.45 2.02 -1.26 -4.90 118.70 114.92 1t3v s GLU 9 Ca 0.01 -0.30 -0.25 0.00 0.02 0.00 0.00 54.97 54.45 1t3v s GLU 9 Cb 0.10 0.34 0.02 0.00 0.10 0.00 0.00 34.13 34.69 1t3v s GLU 9 CO 0.69 -0.23 0.92 1.21 0.02 0.00 0.00 175.26 177.87 1t3v s ASN 10 N -1.64 6.53 -0.27 -0.19 2.47 -1.26 -4.27 114.94 116.30 1t3v s ASN 10 Ca -0.10 0.20 0.12 0.00 0.42 0.00 0.00 52.86 53.51 1t3v s ASN 10 Cb -0.03 -2.45 0.47 0.00 -1.45 0.00 0.00 41.25 37.79 1t3v s ASN 10 CO 0.01 -1.00 1.17 0.54 -3.72 0.00 0.00 177.10 174.10 1t3v n ARG 11 N 7.06 2.91 0.00 0.43 1.74 -1.26 -4.96 116.66 122.58 1t3v n ARG 11 Ca 0.06 -3.90 0.00 0.00 -0.77 0.00 0.00 57.85 53.24 1t3v n ARG 11 Cb 0.48 -2.02 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 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 -0.67 0.83 0.10 -0.13 0.00 -1.26 -2.31 105.19 101.75 1t3v n GLY 12 Ca 0.31 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.66 1t3v n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t3v n LYS 13 N 0.00 0.68 0.00 1.61 5.02 -1.26 -4.20 118.16 120.02 1t3v n LYS 13 Ca 0.00 0.06 0.06 0.00 -2.02 0.00 0.00 58.31 56.41 1t3v n LYS 13 Cb 0.00 -1.56 0.28 0.00 -0.02 0.00 0.00 35.03 33.73 1t3v n LYS 13 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1t3v n ASP 14 N -2.88 0.01 -4.35 4.39 9.92 -0.98 -2.78 116.55 119.88 1t3v n ASP 14 Ca -0.33 0.50 -0.53 0.00 -0.53 0.00 0.00 54.79 53.91 1t3v n ASP 14 Cb 1.12 -0.50 -0.13 0.00 -0.64 0.00 0.00 41.12 40.97 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 -1.51 0.67 -4.74 -2.24 7.64 -1.25 -4.69 113.62 107.50 1t3v n SER 15 Ca 0.03 0.48 -0.41 0.00 1.01 0.00 0.00 58.87 59.98 1t3v n SER 15 Cb 0.15 -0.93 -0.04 0.00 -1.01 0.00 0.00 64.21 62.38 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 7.07 4.57 0.35 1.43 0.04 -1.26 -0.97 135.00 146.23 1t3v s PRO 16 Ca 1.25 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 63.76 1t3v s PRO 16 Cb -1.37 -3.26 -0.11 0.00 0.04 0.00 0.00 34.50 29.79 1t3v s PRO 16 CO 0.59 0.04 1.52 -1.50 0.04 0.00 0.00 177.00 177.69 1t3v s ILE 17 N -0.24 2.05 0.00 0.56 2.07 0.11 -0.81 121.20 124.94 1t3v s ILE 17 Ca 0.50 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.78 1t3v s ILE 17 Cb -0.30 -3.03 0.00 0.00 0.13 0.00 0.00 42.46 39.26 1t3v s ILE 17 CO 0.36 0.01 0.00 -0.24 -1.91 0.00 0.00 174.94 173.16 1t3v n SER 18 N 0.93 -0.00 0.01 4.50 2.88 0.64 -4.42 113.62 118.16 1t3v n SER 18 Ca 0.03 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1t3v n SER 18 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1t3v n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1t3v n GLU 19 N -0.02 0.00 -1.63 -1.46 1.02 -1.26 -4.61 120.64 112.68 1t3v n GLU 19 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1t3v n GLU 19 Cb 0.00 -0.49 0.22 0.00 -0.02 0.00 0.00 31.44 31.15 1t3v n GLU 19 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1t3v s HIS 20 N -2.00 0.99 0.00 -0.32 3.76 -1.26 -0.82 115.29 115.64 1t3v s HIS 20 Ca 0.00 0.31 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 1t3v s HIS 20 Cb 0.00 -3.96 0.00 0.00 1.11 0.00 0.00 32.58 29.73 1t3v s HIS 20 CO 0.00 -3.22 0.00 0.34 -0.85 0.00 0.00 174.74 171.01 1t3v n PHE 21 N -4.19 0.00 -0.31 1.40 -0.00 -1.26 -4.54 117.46 108.55 1t3v n PHE 21 Ca 0.16 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.76 1t3v n PHE 21 Cb 0.59 0.02 0.34 0.00 -0.00 0.00 0.00 39.48 40.43 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 0.00 1.64 -3.95 7.13 0.00 -1.94 -1.48 103.07 104.47 1t3v h GLY 22 Ca 0.00 -0.18 -0.60 0.00 0.00 0.00 0.00 47.33 46.56 1t3v h GLY 22 CO 0.00 -0.32 -0.28 -0.96 0.00 0.00 0.00 176.54 174.99 1t3v n ARG 23 N -5.05 3.32 -2.31 4.80 0.00 -1.25 -4.71 116.66 111.44 1t3v n ARG 23 Ca 0.24 -3.94 -0.43 0.00 -0.00 0.00 0.00 57.85 53.72 1t3v n ARG 23 Cb 0.72 -2.28 -0.02 0.00 -0.00 0.00 0.00 32.46 30.88 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 -3.68 3.52 -0.03 2.89 0.00 -0.56 -4.87 121.76 119.04 1t3v s ALA 24 Ca 0.54 0.44 0.31 0.00 0.00 0.00 0.00 51.96 53.26 1t3v s ALA 24 Cb 0.44 -3.71 1.40 0.00 0.00 0.00 0.00 23.12 21.24 1t3v s ALA 24 CO -0.02 -1.47 1.92 -1.00 0.00 0.00 0.00 175.76 175.19 1t3v h PRO 25 N 9.06 0.00 -3.61 0.00 0.13 -1.91 -3.43 132.00 132.24 1t3v h PRO 25 Ca -0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 1t3v h PRO 25 Cb 1.12 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.11 1t3v h PRO 25 CO 0.99 0.00 -0.28 0.71 -0.23 0.00 0.00 178.00 179.19 1t3v s TYR 26 N -3.62 0.02 -0.08 1.56 1.51 -1.26 -1.63 117.35 113.84 1t3v s TYR 26 Ca 0.01 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1t3v s TYR 26 Cb 0.09 0.05 0.01 0.00 -0.11 0.00 0.00 41.96 42.00 1t3v s TYR 26 CO 0.43 -0.57 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.09 1t3v s PHE 27 N -3.57 1.79 -0.80 2.71 0.08 -0.05 -3.16 117.98 114.98 1t3v s PHE 27 Ca 0.02 -0.72 -0.11 0.00 0.12 0.00 0.00 56.93 56.24 1t3v s PHE 27 Cb 0.03 -1.28 0.21 0.00 -0.57 0.00 0.00 43.02 41.41 1t3v s PHE 27 CO -0.10 -0.35 0.71 0.00 -0.10 0.00 0.00 175.22 175.38 1t3v s ALA 28 N 0.68 4.01 -0.91 5.36 0.00 0.10 -0.88 121.76 130.12 1t3v s ALA 28 Ca -0.14 -3.37 -0.24 0.00 0.00 0.00 0.00 51.96 48.21 1t3v s ALA 28 Cb -0.16 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1t3v s ALA 28 CO 0.04 -2.23 1.65 -0.06 0.00 0.00 0.00 175.76 175.15 1t3v s PHE 29 N -0.05 2.17 0.67 0.00 0.08 -0.23 -0.83 117.98 119.79 1t3v s PHE 29 Ca 0.19 -0.08 -0.11 0.00 0.12 0.00 0.00 56.93 57.05 1t3v s PHE 29 Cb -0.12 -4.40 -0.01 0.00 -0.57 0.00 0.00 43.02 37.92 1t3v s PHE 29 CO -0.08 -1.92 1.07 0.08 -0.10 0.00 0.00 175.22 174.27 1t3v s VAL 30 N 7.25 4.03 0.00 -0.44 1.01 0.18 -0.88 120.40 131.55 1t3v s VAL 30 Ca 0.55 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1t3v s VAL 30 Cb -0.04 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1t3v s VAL 30 CO -0.01 -0.86 0.00 0.29 0.00 0.00 0.00 175.10 174.52 1t3v n LYS 31 N -2.93 2.34 -3.77 2.72 5.02 -0.37 -0.16 118.16 121.00 1t3v n LYS 31 Ca 0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.23 1t3v n LYS 31 Cb 0.55 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.44 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 -0.29 -0.02 -0.67 -0.18 0.11 -0.90 -4.44 120.40 114.01 1t3v s VAL 32 Ca 0.00 0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 1t3v s VAL 32 Cb 0.00 -0.34 0.18 0.00 -1.53 0.00 0.00 36.38 34.68 1t3v s VAL 32 CO 0.00 0.02 0.54 -0.75 -3.33 0.00 0.00 175.10 171.59 1t3v s LYS 33 N 0.54 2.93 0.00 1.54 2.47 0.53 -4.48 119.74 123.27 1t3v s LYS 33 Ca -0.03 -2.39 0.00 0.00 -1.56 0.00 0.00 55.97 51.99 1t3v s LYS 33 Cb -0.05 -4.02 0.00 0.00 -1.46 0.00 0.00 37.83 32.30 1t3v s LYS 33 CO -0.03 -1.22 0.00 -1.71 0.16 0.00 0.00 175.35 172.55 1t3v n ASN 34 N 3.88 0.00 -0.07 1.43 2.85 -1.26 -0.84 115.26 121.25 1t3v n ASN 34 Ca 0.07 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.55 1t3v n ASN 34 Cb 0.42 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.44 1t3v n ASN 34 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1t3v n ASN 35 N 0.00 0.59 -4.49 1.20 2.85 -1.26 -5.10 115.26 109.05 1t3v n ASN 35 Ca 0.00 -1.47 -0.26 0.00 -0.11 0.00 0.00 54.58 52.73 1t3v n ASN 35 Cb 0.00 -0.05 -0.10 0.00 1.24 0.00 0.00 39.78 40.88 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1t3v s ALA 36 N -0.39 3.05 0.34 5.20 0.00 -0.02 -5.06 121.76 124.88 1t3v s ALA 36 Ca 0.02 -1.61 0.30 0.00 0.00 0.00 0.00 51.96 50.67 1t3v s ALA 36 Cb 0.01 0.42 1.45 0.00 0.00 0.00 0.00 23.12 25.01 1t3v s ALA 36 CO 0.00 -0.21 2.05 0.82 0.00 0.00 0.00 175.76 178.42 1t3v h ILE 37 N 1.80 0.40 0.00 0.00 5.03 -1.84 0.15 117.51 123.06 1t3v h ILE 37 Ca -0.41 -0.58 0.00 0.00 -0.12 0.00 0.00 64.86 63.75 1t3v h ILE 37 Cb 1.26 1.41 0.00 0.00 -3.03 0.00 0.00 36.82 36.47 1t3v h ILE 37 CO 0.71 0.10 0.00 0.00 -0.68 0.00 0.00 178.15 178.28 1t3v n ALA 38 N -2.21 0.00 -3.72 1.87 0.00 -1.26 -2.96 120.51 112.23 1t3v n ALA 38 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 1t3v n ALA 38 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.31 -0.03 0.00 2.15 -1.26 -4.94 116.67 112.29 1t3v s ASP 39 Ca 0.00 -0.39 0.06 0.00 0.43 0.00 0.00 52.55 52.65 1t3v s ASP 39 Cb 0.00 0.62 -0.01 0.00 -0.30 0.00 0.00 42.92 43.22 1t3v s ASP 39 CO 0.00 -1.10 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.07 1t3v s ILE 40 N -3.66 1.61 -0.40 4.11 -1.09 -1.26 -1.24 121.20 119.27 1t3v s ILE 40 Ca 0.09 -0.86 0.04 0.00 -2.23 0.00 0.00 60.65 57.69 1t3v s ILE 40 Cb -0.03 -1.35 0.11 0.00 -1.58 0.00 0.00 42.46 39.61 1t3v s ILE 40 CO 0.01 0.46 0.12 -0.44 -1.23 0.00 0.00 174.94 173.85 1t3v s SER 41 N -0.34 4.65 -1.19 3.58 0.01 -0.06 -4.98 113.70 115.36 1t3v s SER 41 Ca 0.04 -2.42 -0.11 0.00 1.31 0.00 0.00 55.95 54.77 1t3v s SER 41 Cb -0.09 -1.64 0.21 0.00 0.21 0.00 0.00 66.02 64.71 1t3v s SER 41 CO 0.00 -0.34 1.44 0.55 0.41 0.00 0.00 173.24 175.30 1t3v n VAL 42 N 3.90 4.43 -2.68 3.43 3.14 -1.26 -1.07 118.33 128.22 1t3v n VAL 42 Ca 0.04 -4.93 -0.42 0.00 -2.96 0.00 0.00 64.34 56.07 1t3v n VAL 42 Cb 0.39 -2.45 -0.03 0.00 -1.06 0.00 0.00 33.84 30.69 1t3v n VAL 42 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1t3v s GLU 43 N 0.36 4.49 0.99 1.45 2.02 -0.06 -4.94 118.70 123.02 1t3v s GLU 43 Ca 0.39 1.43 -0.11 0.00 0.02 0.00 0.00 54.97 56.70 1t3v s GLU 43 Cb -0.02 -3.49 0.19 0.00 0.10 0.00 0.00 34.13 30.90 1t3v s GLU 43 CO -0.01 -0.18 1.11 -1.21 0.02 0.00 0.00 175.26 174.99 1t3v s GLU 44 N 1.46 0.45 0.52 1.61 8.01 -1.26 -0.87 118.70 128.62 1t3v s GLU 44 Ca 0.51 1.35 -0.17 0.00 0.01 0.00 0.00 54.97 56.67 1t3v s GLU 44 Cb -0.20 -1.68 -0.07 0.00 -4.31 0.00 0.00 34.13 27.87 1t3v s GLU 44 CO 0.24 -2.95 1.00 0.54 0.01 0.00 0.00 175.26 174.10 1t3v s ASN 45 N -2.62 6.46 -0.12 -0.19 2.20 -0.65 -4.67 114.94 115.34 1t3v s ASN 45 Ca 0.67 1.68 -0.22 0.00 -0.94 0.00 0.00 52.86 54.05 1t3v s ASN 45 Cb -0.23 -2.52 -0.20 0.00 -2.00 0.00 0.00 41.25 36.29 1t3v s ASN 45 CO 0.60 -0.70 0.64 1.55 -2.94 0.00 0.00 177.10 176.25 1t3v h PRO 46 N 1.02 -0.01 -0.38 3.55 0.13 -1.91 -3.44 132.00 130.96 1t3v h PRO 46 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.42 1t3v h PRO 46 Cb 1.20 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1t3v h PRO 46 CO 0.60 0.73 -1.10 1.28 -0.23 0.00 0.00 178.00 179.28 1t3v n LEU 47 N -4.67 1.47 -0.29 1.56 4.32 -1.26 -4.98 117.00 113.15 1t3v n LEU 47 Ca -0.08 -2.91 -0.05 0.00 -0.02 0.00 0.00 56.01 52.95 1t3v n LEU 47 Cb 0.36 0.42 0.07 0.00 -1.62 0.00 0.00 43.42 42.65 1t3v n LEU 47 CO 0.27 0.98 1.13 0.00 -1.22 0.00 0.00 177.39 178.55 1t3v h ALA 48 N 2.42 1.01 0.00 -1.18 0.00 -1.84 -2.88 119.26 116.79 1t3v h ALA 48 Ca -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1t3v h ALA 48 Cb 1.34 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1t3v h ALA 48 CO 0.17 0.52 -0.12 0.00 0.00 0.00 0.00 179.25 179.82 1t3v n GLN 49 N -4.43 1.14 0.02 0.00 10.64 -1.26 -3.93 117.38 119.57 1t3v n GLN 49 Ca 0.07 -1.94 -0.05 0.00 -1.83 0.00 0.00 57.00 53.26 1t3v n GLN 49 Cb 0.09 -1.14 -0.03 0.00 -0.86 0.00 0.00 30.24 28.30 1t3v n GLN 49 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1t3v h ASP 50 N 0.00 -0.49 0.00 2.61 1.82 -1.89 -3.37 116.42 115.10 1t3v h ASP 50 Ca 0.00 0.05 -0.06 0.00 -0.39 0.00 0.00 57.03 56.63 1t3v h ASP 50 Cb 1.03 0.18 -0.12 0.00 0.68 0.00 0.00 39.33 41.10 1t3v h ASP 50 CO 0.00 -0.16 -0.50 1.57 -1.61 0.00 0.00 179.24 178.54 1t3v n HIS 51 N -3.38 0.00 -4.32 0.28 -0.00 -1.26 -4.95 115.22 101.59 1t3v n HIS 51 Ca -0.02 -0.20 -0.33 0.00 0.46 0.00 0.00 57.72 57.63 1t3v n HIS 51 Cb 0.12 0.07 -0.09 0.00 -0.12 0.00 0.00 29.99 29.97 1t3v n HIS 51 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 1t3v n VAL 52 N 0.13 -1.03 -1.12 3.57 0.24 -1.26 -4.97 118.33 113.89 1t3v n VAL 52 Ca -0.03 -0.41 -0.29 0.00 -2.04 0.00 0.00 64.34 61.57 1t3v n VAL 52 Cb 0.77 -1.09 0.16 0.00 -1.47 0.00 0.00 33.84 32.21 1t3v n VAL 52 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1t3v s HIS 53 N -4.14 2.14 -0.47 6.34 3.76 -1.26 -4.95 115.29 116.70 1t3v s HIS 53 Ca 0.15 1.19 0.05 0.00 -0.15 0.00 0.00 55.06 56.30 1t3v s HIS 53 Cb -0.09 -3.19 0.41 0.00 1.11 0.00 0.00 32.58 30.82 1t3v s HIS 53 CO 0.99 -2.70 1.28 0.41 -0.85 0.00 0.00 174.74 173.88 1t3v n GLY 54 N -0.89 2.67 0.02 -2.22 0.00 -1.26 -4.41 105.19 99.09 1t3v n GLY 54 Ca 0.06 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 0.08 2.59 -0.24 4.61 0.00 -1.26 -4.22 120.51 122.07 1t3v n ALA 55 Ca 0.21 -0.59 0.03 0.00 0.00 0.00 0.00 53.44 53.09 1t3v n ALA 55 Cb 0.89 -0.63 0.12 0.00 0.00 0.00 0.00 19.45 19.83 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 0.36 0.00 0.00 2.07 -1.85 0.09 116.25 116.91 1t3v h VAL 56 Ca -0.07 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1t3v h VAL 56 Cb 1.10 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 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 -0.52 1.57 0.13 -1.92 -2.84 132.00 128.48 1t3v h PRO 57 Ca 0.37 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.44 1t3v h PRO 57 Cb 0.61 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 1t3v h PRO 57 CO -0.65 0.00 0.10 -0.97 -0.23 0.00 0.00 178.00 176.25 1t3v h ASN 58 N 0.00 0.82 0.78 1.44 -0.73 -1.17 -1.59 115.58 115.14 1t3v h ASN 58 Ca -0.00 -0.25 -0.04 0.00 1.87 0.00 0.00 56.30 57.88 1t3v h ASN 58 Cb 0.74 -0.22 0.01 0.00 0.27 0.00 0.00 38.32 39.12 1t3v h ASN 58 CO 0.00 0.86 -0.39 0.15 -0.37 0.00 0.00 177.43 177.68 1t3v h PHE 59 N 0.74 -1.00 0.00 0.67 3.57 -1.33 -3.19 116.94 116.40 1t3v h PHE 59 Ca 0.16 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1t3v h PHE 59 Cb 0.38 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1t3v h PHE 59 CO 0.03 -0.62 -0.02 -0.39 -2.23 0.00 0.00 178.31 175.08 1t3v h VAL 60 N -1.07 0.13 0.00 1.41 -1.51 -1.49 0.17 116.25 113.88 1t3v h VAL 60 Ca -0.11 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1t3v h VAL 60 Cb 0.82 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1t3v h VAL 60 CO 0.17 0.02 0.00 0.29 -1.23 0.00 0.00 177.57 176.82 1t3v n LYS 61 N -3.22 0.11 0.01 5.19 5.02 -0.60 -1.96 118.16 122.71 1t3v n LYS 61 Ca -0.02 0.50 0.11 0.00 -2.02 0.00 0.00 58.31 56.89 1t3v n LYS 61 Cb 0.17 -1.79 0.10 0.00 -0.02 0.00 0.00 35.03 33.49 1t3v n LYS 61 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1t3v n GLU 62 N -2.01 0.07 -0.86 1.97 -0.00 0.58 -4.60 120.64 115.79 1t3v n GLU 62 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.16 57.00 1t3v n GLU 62 Cb 0.10 -1.53 0.06 0.00 -0.00 0.00 0.00 31.44 30.07 1t3v n GLU 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1t3v n LYS 63 N -1.62 1.83 -2.22 3.44 4.76 -0.83 -4.82 118.16 118.70 1t3v n LYS 63 Ca 0.04 -1.70 -0.08 0.00 -2.87 0.00 0.00 58.31 53.70 1t3v n LYS 63 Cb 0.36 -1.67 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 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 0.06 -0.25 3.73 0.72 0.00 -1.26 -4.91 105.19 103.28 1t3v n GLY 64 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.27 2.27 0.00 4.61 0.00 -1.26 -4.21 121.76 120.90 1t3v s ALA 65 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1t3v s ALA 65 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1t3v s ALA 65 CO 0.00 -1.63 0.00 0.39 0.00 0.00 0.00 175.76 174.52 1t3v n GLU 66 N -2.35 3.82 -4.26 0.00 1.02 -0.27 -4.84 120.64 113.77 1t3v n GLU 66 Ca 0.13 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.13 1t3v n GLU 66 Cb 0.50 -0.39 -0.10 0.00 -0.02 0.00 0.00 31.44 31.43 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 -0.18 1.90 0.01 -4.62 2.96 0.04 -3.41 118.68 115.38 1t3v s LEU 67 Ca 0.00 -1.25 -0.04 0.00 -0.22 0.00 0.00 54.13 52.63 1t3v s LEU 67 Cb 0.00 0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.69 1t3v s LEU 67 CO 0.00 -0.64 0.05 -0.69 -1.32 0.00 0.00 176.35 173.75 1t3v s VAL 68 N -3.74 0.10 -0.17 1.68 1.01 -0.45 -2.38 120.40 116.45 1t3v s VAL 68 Ca 0.29 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1t3v s VAL 68 Cb 0.07 -0.36 0.05 0.00 0.00 0.00 0.00 36.38 36.14 1t3v s VAL 68 CO 0.07 -0.45 0.02 -0.63 0.00 0.00 0.00 175.10 174.11 1t3v s ILE 69 N -1.47 0.56 0.35 2.22 1.01 0.43 -0.62 121.20 123.68 1t3v s ILE 69 Ca -0.15 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1t3v s ILE 69 Cb -0.09 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 1t3v s ILE 69 CO 0.00 -0.11 0.18 0.68 0.00 0.00 0.00 174.94 175.69 1t3v s VAL 70 N 1.85 0.34 0.00 2.92 -7.23 0.25 -4.24 120.40 114.29 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 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.32 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 -0.70 0.00 0.00 4.82 0.63 -1.25 -1.19 116.66 118.97 1t3v n ARG 71 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.04 1t3v n ARG 71 Cb 0.64 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.44 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 3.93 -1.03 6.48 5.14 0.00 0.00 -1.02 105.19 118.69 1t3v n GLY 72 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.73 0.00 0.00 -0.61 3.06 -1.15 -4.93 119.36 114.00 1t3v n ILE 73 Ca 0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 1t3v n ILE 73 Cb 0.40 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.58 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 2.10 0.26 4.50 0.00 -1.26 -4.42 105.19 106.37 1t3v n GLY 74 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 46.02 45.33 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 0.14 0.00 1.61 1.12 -1.99 0.64 114.38 115.90 1t3v h ARG 75 Ca 0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1t3v h ARG 75 Cb 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 29.93 1t3v h ARG 75 CO 0.00 0.09 0.06 2.89 -3.11 0.00 0.00 179.97 179.91 1t3v n ARG 76 N -5.28 0.00 -0.04 0.20 1.85 -1.26 -0.68 116.66 111.45 1t3v n ARG 76 Ca 0.12 0.24 -0.05 0.00 -1.00 0.00 0.00 57.85 57.16 1t3v n ARG 76 Cb 0.43 -1.56 -0.03 0.00 -1.05 0.00 0.00 32.46 30.25 1t3v n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3v n ALA 77 N -1.20 1.87 -0.32 2.89 0.00 0.18 -4.48 120.51 119.46 1t3v n ALA 77 Ca 0.00 -0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.24 1t3v n ALA 77 Cb 0.06 0.33 0.24 0.00 0.00 0.00 0.00 19.45 20.09 1t3v n ALA 77 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1t3v h ILE 78 N -0.01 0.13 0.00 0.00 5.03 -0.98 -1.03 117.51 120.65 1t3v h ILE 78 Ca -0.16 -0.02 0.00 0.00 -0.12 0.00 0.00 64.86 64.56 1t3v h ILE 78 Cb 1.25 0.08 0.00 0.00 -3.03 0.00 0.00 36.82 35.12 1t3v h ILE 78 CO -0.03 0.01 0.00 0.00 -0.68 0.00 0.00 178.15 177.45 1t3v h ALA 79 N 1.89 1.00 0.37 1.87 0.00 -1.13 0.15 119.26 123.41 1t3v h ALA 79 Ca 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1t3v h ALA 79 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1t3v h ALA 79 CO -0.84 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 178.24 1t3v h ALA 80 N 2.01 -0.53 -0.61 0.00 0.00 -1.41 -2.99 119.26 115.73 1t3v h ALA 80 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1t3v h ALA 80 Cb 0.11 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1t3v h ALA 80 CO 0.00 -0.49 0.34 0.74 0.00 0.00 0.00 179.25 179.84 1t3v h PHE 81 N -1.04 0.64 0.00 0.00 0.04 -1.43 -0.97 116.94 114.17 1t3v h PHE 81 Ca -0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1t3v h PHE 81 Cb 0.38 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1t3v h PHE 81 CO 0.01 0.33 0.00 0.39 -0.60 0.00 0.00 178.31 178.44 1t3v n GLU 82 N -4.79 0.15 -0.06 1.51 1.02 0.47 -0.06 120.64 118.88 1t3v n GLU 82 Ca 0.06 0.51 -0.12 0.00 -0.02 0.00 0.00 57.16 57.60 1t3v n GLU 82 Cb 0.13 -1.87 -0.06 0.00 -0.02 0.00 0.00 31.44 29.63 1t3v n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1t3v h ALA 83 N 2.15 0.23 0.00 0.62 0.00 -1.01 -3.28 119.26 117.96 1t3v h ALA 83 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1t3v h ALA 83 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1t3v h ALA 83 CO 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 179.25 178.80 1t3v h MET 84 N 0.04 0.00 0.00 0.00 -0.00 -1.19 -3.47 114.93 110.30 1t3v h MET 84 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1t3v h MET 84 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.05 1t3v h MET 84 CO 0.01 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.33 1t3v n GLY 85 N 1.17 0.76 3.67 -3.00 0.00 0.91 -5.05 105.19 103.63 1t3v n GLY 85 Ca 0.03 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.00 4.60 0.51 1.61 1.01 0.28 -4.91 120.40 121.50 1t3v s VAL 86 Ca 0.00 1.92 -0.22 0.00 0.00 0.00 0.00 61.98 63.68 1t3v s VAL 86 Cb 0.00 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1t3v s VAL 86 CO 0.00 -0.13 1.29 -0.75 0.00 0.00 0.00 175.10 175.51 1t3v s LYS 87 N 2.99 3.37 -0.36 2.72 2.20 -1.22 -4.19 119.74 125.26 1t3v s LYS 87 Ca 0.47 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 1t3v s LYS 87 Cb -0.17 -2.32 0.14 0.00 -1.51 0.00 0.00 37.83 33.97 1t3v s LYS 87 CO 0.10 -0.95 0.22 0.54 -0.36 0.00 0.00 175.35 174.90 1t3v s VAL 88 N -1.39 0.16 0.14 4.02 0.11 -1.26 -1.34 120.40 120.84 1t3v s VAL 88 Ca 0.68 -1.80 -0.31 0.00 -2.93 0.00 0.00 61.98 57.63 1t3v s VAL 88 Cb -0.36 -1.13 -0.08 0.00 -1.53 0.00 0.00 36.38 33.28 1t3v s VAL 88 CO 0.43 -1.01 1.33 -0.63 -3.33 0.00 0.00 175.10 171.89 1t3v s ILE 89 N 0.98 3.39 0.44 7.04 1.01 0.21 -4.91 121.20 129.36 1t3v s ILE 89 Ca 0.19 1.05 0.06 0.00 0.00 0.00 0.00 60.65 61.95 1t3v s ILE 89 Cb -0.20 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1t3v s ILE 89 CO -0.01 0.11 0.18 -0.54 0.00 0.00 0.00 174.94 174.68 1t3v s LYS 90 N 0.66 2.22 0.00 2.79 1.02 -1.26 -0.58 119.74 124.59 1t3v s LYS 90 Ca 0.61 -1.93 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1t3v s LYS 90 Cb -0.35 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1t3v s LYS 90 CO 0.33 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 1t3v n GLY 91 N -1.30 0.35 3.72 -3.33 0.00 -0.19 -4.72 105.19 99.72 1t3v n GLY 91 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.96 1.63 -0.29 4.61 0.00 -0.33 -4.89 121.76 120.53 1t3v s ALA 92 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 1t3v s ALA 92 Cb 0.00 -3.20 0.12 0.00 0.00 0.00 0.00 23.12 20.04 1t3v s ALA 92 CO 0.00 -2.29 0.74 -1.54 0.00 0.00 0.00 175.76 172.67 1t3v s SER 93 N -3.42 -0.94 0.00 0.00 1.04 -1.26 -4.28 113.70 104.84 1t3v s SER 93 Ca 0.63 1.38 0.00 0.00 0.48 0.00 0.00 55.95 58.44 1t3v s SER 93 Cb -0.18 1.77 0.00 0.00 0.10 0.00 0.00 66.02 67.71 1t3v s SER 93 CO 0.57 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.19 1t3v n GLY 94 N 4.78 0.73 3.90 7.32 0.00 -1.26 -4.69 105.19 115.97 1t3v n GLY 94 Ca -0.15 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.14 2.00 0.09 2.61 -4.23 -1.26 -0.71 115.64 112.00 1t3v s THR 95 Ca 0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 61.69 60.16 1t3v s THR 95 Cb 0.00 -3.00 -0.16 0.00 1.34 0.00 0.00 72.50 70.68 1t3v s THR 95 CO 0.00 0.00 1.56 0.58 -0.54 0.00 0.00 174.62 176.22 1t3v h VAL 96 N -1.11 0.01 0.00 2.29 2.07 -1.03 -0.47 116.25 118.02 1t3v h VAL 96 Ca -0.46 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1t3v h VAL 96 Cb 1.32 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1t3v h VAL 96 CO 0.64 0.00 -0.16 1.05 0.02 0.00 0.00 177.57 179.12 1t3v h GLU 97 N -0.92 0.00 0.13 1.57 4.11 -1.82 -0.20 114.58 117.45 1t3v h GLU 97 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1t3v h GLU 97 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1t3v h GLU 97 CO -0.15 0.16 -0.06 1.49 0.07 0.00 0.00 179.01 180.52 1t3v h GLU 98 N 0.00 -0.17 -0.72 1.06 4.81 -1.81 -1.69 114.58 116.06 1t3v h GLU 98 Ca -0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1t3v h GLU 98 Cb 0.32 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 1t3v h GLU 98 CO 0.02 0.29 0.41 0.28 -0.73 0.00 0.00 179.01 179.28 1t3v h VAL 99 N -0.88 0.96 0.19 0.32 2.07 -0.83 0.96 116.25 119.04 1t3v h VAL 99 Ca -0.02 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1t3v h VAL 99 Cb 0.54 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1t3v h VAL 99 CO 0.03 0.13 -0.45 0.58 0.02 0.00 0.00 177.57 177.88 1t3v h VAL 100 N 0.73 0.11 -0.46 2.57 2.07 -1.10 -1.76 116.25 118.41 1t3v h VAL 100 Ca 0.33 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.82 1t3v h VAL 100 Cb 0.23 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1t3v h VAL 100 CO -0.20 0.00 0.17 -1.13 0.02 0.00 0.00 177.57 176.43 1t3v h ASN 101 N -0.74 0.66 -0.52 0.57 -0.73 -0.37 -0.10 115.58 114.34 1t3v h ASN 101 Ca 0.00 -0.19 0.06 0.00 1.87 0.00 0.00 56.30 58.04 1t3v h ASN 101 Cb 0.73 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 39.09 1t3v h ASN 101 CO -0.22 0.67 0.23 1.56 -0.37 0.00 0.00 177.43 179.30 1t3v h GLN 102 N 0.61 0.42 0.23 6.67 4.20 -0.77 0.11 115.11 126.58 1t3v h GLN 102 Ca 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1t3v h GLN 102 Cb 0.23 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1t3v h GLN 102 CO -0.01 0.28 -0.11 -0.92 -0.67 0.00 0.00 178.83 177.40 1t3v h TYR 103 N 0.44 -0.29 -0.39 2.96 3.20 -1.04 -0.63 116.97 121.22 1t3v h TYR 103 Ca 0.24 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.16 1t3v h TYR 103 Cb 0.22 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1t3v h TYR 103 CO -0.13 -0.07 0.26 -0.07 -1.64 0.00 0.00 178.16 176.51 1t3v h LEU 104 N -0.45 0.28 -0.12 2.82 4.07 -0.62 -0.74 115.31 120.55 1t3v h LEU 104 Ca -0.03 -0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.69 1t3v h LEU 104 Cb 0.34 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 42.03 1t3v h LEU 104 CO 0.05 0.19 -0.87 0.28 -1.08 0.00 0.00 178.44 177.01 1t3v h SER 105 N 0.32 0.90 0.00 -0.43 0.02 -0.69 -3.48 113.55 110.19 1t3v h SER 105 Ca 0.17 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1t3v h SER 105 Cb 0.26 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1t3v h SER 105 CO -0.04 1.44 0.00 0.61 -1.14 0.00 0.00 176.83 177.70 1t3v n GLY 106 N 0.82 1.48 0.11 -3.77 0.00 -0.28 -5.05 105.19 98.49 1t3v n GLY 106 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1t3v n GLY 106 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1t3v n GLN 107 N -0.06 0.67 -2.82 1.61 1.13 -0.38 -4.98 117.38 112.55 1t3v n GLN 107 Ca 0.00 0.11 -0.35 0.00 -1.94 0.00 0.00 57.00 54.82 1t3v n GLN 107 Cb 0.00 -1.56 -0.07 0.00 0.11 0.00 0.00 30.24 28.72 1t3v n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1t3v s LEU 108 N -6.12 4.19 0.12 1.08 1.02 -1.25 -5.00 118.68 112.73 1t3v s LEU 108 Ca -0.21 1.74 -0.20 0.00 0.02 0.00 0.00 54.13 55.48 1t3v s LEU 108 Cb 0.07 -4.17 0.05 0.00 0.02 0.00 0.00 46.19 42.16 1t3v s LEU 108 CO 0.73 -0.17 0.50 -0.75 0.02 0.00 0.00 176.35 176.68 1t3v s LYS 109 N -2.47 1.14 -0.75 1.70 2.47 -1.26 -4.86 119.74 115.71 1t3v s LYS 109 Ca 0.54 -0.53 -0.01 0.00 -1.56 0.00 0.00 55.97 54.41 1t3v s LYS 109 Cb -0.15 0.52 0.38 0.00 -1.46 0.00 0.00 37.83 37.12 1t3v s LYS 109 CO 0.20 -0.46 1.88 -3.47 0.16 0.00 0.00 175.35 173.66 1t3v n ASP 110 N -0.17 7.11 -0.47 1.43 2.03 -1.26 -4.28 116.55 120.94 1t3v n ASP 110 Ca -0.17 -3.81 0.09 0.00 0.52 0.00 0.00 54.79 51.42 1t3v n ASP 110 Cb 0.64 -0.95 0.01 0.00 -0.72 0.00 0.00 41.12 40.09 1t3v n ASP 110 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1t3v n SER 111 N -0.60 1.91 -4.04 1.67 7.64 -1.26 -4.84 113.62 114.09 1t3v n SER 111 Ca 0.53 -1.46 -0.34 0.00 1.01 0.00 0.00 58.87 58.61 1t3v n SER 111 Cb 0.38 0.40 -0.10 0.00 -1.01 0.00 0.00 64.21 63.88 1t3v n SER 111 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1t3v s ASP 112 N -2.05 5.06 0.18 6.43 1.01 -1.26 -5.05 116.67 120.98 1t3v s ASP 112 Ca 0.16 -3.09 0.10 0.00 0.71 0.00 0.00 52.55 50.44 1t3v s ASP 112 Cb 0.15 -1.79 -0.04 0.00 1.01 0.00 0.00 42.92 42.25 1t3v s ASP 112 CO 0.44 -0.29 -0.23 -0.47 0.21 0.00 0.00 175.17 174.84 1t3v s TYR 113 N -0.41 2.15 -0.80 4.23 5.04 -1.26 -4.61 117.35 121.69 1t3v s TYR 113 Ca 0.19 -0.39 -0.18 0.00 -2.44 0.00 0.00 57.07 54.25 1t3v s TYR 113 Cb -0.19 -1.08 -0.13 0.00 0.35 0.00 0.00 41.96 40.91 1t3v s TYR 113 CO -0.05 0.43 1.96 -0.85 -1.34 0.00 0.00 175.55 175.71 1t3v n GLU 114 N 0.35 1.63 0.00 4.97 0.28 -1.26 -4.77 120.64 121.85 1t3v n GLU 114 Ca -0.13 -1.75 0.00 0.00 -0.16 0.00 0.00 57.16 55.11 1t3v n GLU 114 Cb 0.56 -2.81 0.00 0.00 1.43 0.00 0.00 31.44 30.62 1t3v n GLU 114 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1t3v n VAL 115 N 5.58 0.00 -3.83 3.84 0.31 -1.26 -4.74 118.33 118.23 1t3v n VAL 115 Ca 0.48 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.74 1t3v n VAL 115 Cb 0.34 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.29 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 0.00 0.06 0.29 3.52 5.65 -1.26 -5.07 115.29 118.48 1t3v s HIS 116 Ca 0.00 -0.63 -0.00 0.00 0.25 0.00 0.00 55.06 54.67 1t3v s HIS 116 Cb 0.00 0.78 0.68 0.00 -1.18 0.00 0.00 32.58 32.86 1t3v s HIS 116 CO 0.00 -1.35 1.59 0.22 -0.65 0.00 0.00 174.74 174.55 1t3v h ASP 117 N 2.00 -0.40 -6.85 9.88 3.58 -2.02 -3.45 116.42 119.15 1t3v h ASP 117 Ca -0.29 0.25 -0.53 0.00 0.42 0.00 0.00 57.03 56.89 1t3v h ASP 117 Cb 1.24 0.43 -0.01 0.00 1.72 0.00 0.00 39.33 42.72 1t3v h ASP 117 CO 0.37 -0.29 -1.01 1.57 -2.88 0.00 0.00 179.24 177.00 1t3v n HIS 118 N -5.43 -1.59 -1.54 0.28 -0.00 -1.26 -4.68 115.22 101.00 1t3v n HIS 118 Ca 0.21 0.40 -0.37 0.00 -0.00 0.00 0.00 57.72 57.96 1t3v n HIS 118 Cb 0.69 -2.59 -0.05 0.00 -0.00 0.00 0.00 29.99 28.04 1t3v n HIS 118 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1t3v n HIS 119 N -3.74 1.30 -3.69 1.57 -0.00 -1.26 -4.88 115.22 104.52 1t3v n HIS 119 Ca -0.20 0.16 -0.14 0.00 0.46 0.00 0.00 57.72 57.99 1t3v n HIS 119 Cb 0.59 -2.60 -0.08 0.00 -0.12 0.00 0.00 29.99 27.78 1t3v n HIS 119 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1t3v s HIS 120 N 11.72 -0.43 0.07 1.57 5.65 -1.26 -5.11 115.29 127.50 1t3v s HIS 120 Ca 1.04 0.90 0.00 0.00 0.25 0.00 0.00 55.06 57.25 1t3v s HIS 120 Cb -0.35 0.20 0.00 0.00 -1.18 0.00 0.00 32.58 31.25 1t3v s HIS 120 CO 0.30 -0.38 0.00 0.72 -0.65 0.00 0.00 174.74 174.73 1t3v n HIS 121 N 1.87 -0.44 -2.52 3.88 8.25 -1.26 -5.06 115.22 119.94 1t3v n HIS 121 Ca -0.17 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1t3v n HIS 121 Cb 0.56 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1t3v n HIS 121 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1t3v n GLU 122 N -2.01 0.00 -0.10 -0.41 4.07 -1.26 -5.12 120.64 115.82 1t3v n GLU 122 Ca -0.01 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 1t3v n GLU 122 Cb 0.07 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.37 1t3v n GLU 122 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1t3v n HIS 123 N 0.00 0.00 -0.98 4.31 1.44 -1.26 -5.14 115.22 113.59 1t3v n HIS 123 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1t3v n HIS 123 Cb 0.00 -0.71 0.00 0.00 0.12 0.00 0.00 29.99 29.40 1t3v n HIS 123 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14