#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 0.37 -0.25 1.12 1.01 -1.26 -2.90 121.20 119.29 1t3v s ILE 2 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 1t3v s ILE 2 Cb 0.00 -0.45 0.07 0.00 0.01 0.00 0.00 42.46 42.09 1t3v s ILE 2 CO 0.00 -0.34 0.01 -0.63 0.00 0.00 0.00 174.94 173.98 1t3v s ILE 3 N -1.19 1.20 0.38 2.92 1.01 0.97 -0.39 121.20 126.10 1t3v s ILE 3 Ca -0.10 -1.21 -0.18 0.00 0.00 0.00 0.00 60.65 59.16 1t3v s ILE 3 Cb -0.09 -1.67 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 1t3v s ILE 3 CO -0.00 -0.31 0.85 0.00 0.00 0.00 0.00 174.94 175.48 1t3v s ALA 4 N 1.51 3.17 -0.07 9.38 0.00 -0.84 -0.44 121.76 134.47 1t3v s ALA 4 Ca 0.01 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 1t3v s ALA 4 Cb -0.18 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1t3v s ALA 4 CO -0.11 0.21 0.04 0.42 0.00 0.00 0.00 175.76 176.31 1t3v s ILE 5 N -2.11 0.10 -0.27 0.00 1.01 -0.36 -0.63 121.20 118.94 1t3v s ILE 5 Ca 0.58 0.22 -0.29 0.00 0.00 0.00 0.00 60.65 61.16 1t3v s ILE 5 Cb -0.10 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1t3v s ILE 5 CO 0.16 0.15 1.24 -2.16 0.00 0.00 0.00 174.94 174.33 1t3v s PRO 6 N 2.08 4.03 0.23 2.79 0.04 -1.26 -0.76 135.00 142.14 1t3v s PRO 6 Ca 0.04 1.30 0.10 0.00 0.04 0.00 0.00 61.00 62.49 1t3v s PRO 6 Cb -0.13 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 1t3v s PRO 6 CO -0.05 -0.97 -0.13 0.14 0.04 0.00 0.00 177.00 176.03 1t3v s VAL 7 N 4.00 2.88 0.18 -0.36 -7.23 -1.11 -0.46 120.40 118.30 1t3v s VAL 7 Ca 0.53 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1t3v s VAL 7 Cb -0.17 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.22 1t3v s VAL 7 CO 0.19 -0.25 1.46 0.77 -0.31 0.00 0.00 175.10 176.96 1t3v h SER 8 N 2.58 0.53 -5.13 4.85 4.64 -1.72 -3.23 113.55 116.07 1t3v h SER 8 Ca -0.44 -0.32 -0.13 0.00 -0.47 0.00 0.00 61.79 60.43 1t3v h SER 8 Cb 1.23 -0.15 -0.17 0.00 -0.31 0.00 0.00 62.40 63.00 1t3v h SER 8 CO 0.56 1.05 -0.59 -1.61 -0.87 0.00 0.00 176.83 175.36 1t3v s GLU 9 N -3.76 0.58 -1.04 4.77 2.02 -1.26 -4.76 118.70 115.25 1t3v s GLU 9 Ca -0.06 -0.92 -0.22 0.00 0.02 0.00 0.00 54.97 53.79 1t3v s GLU 9 Cb 0.11 0.22 0.07 0.00 0.10 0.00 0.00 34.13 34.62 1t3v s GLU 9 CO 0.84 -0.13 1.43 1.21 0.02 0.00 0.00 175.26 178.63 1t3v s ASN 10 N -2.38 6.56 -0.24 -0.19 3.84 -1.26 -4.70 114.94 116.57 1t3v s ASN 10 Ca -0.01 -1.66 0.17 0.00 0.21 0.00 0.00 52.86 51.57 1t3v s ASN 10 Cb 0.01 -2.54 0.48 0.00 -0.55 0.00 0.00 41.25 38.65 1t3v s ASN 10 CO -0.07 -1.40 1.15 0.54 -2.79 0.00 0.00 177.10 174.53 1t3v n ARG 11 N 8.45 2.15 0.00 0.43 1.74 -1.26 -5.01 116.66 123.17 1t3v n ARG 11 Ca 0.33 -3.56 0.00 0.00 -0.77 0.00 0.00 57.85 53.85 1t3v n ARG 11 Cb 0.50 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 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 -0.56 1.29 0.13 -0.13 0.00 -1.26 -0.44 105.19 104.22 1t3v n GLY 12 Ca 0.19 0.70 -0.20 0.00 0.00 0.00 0.00 46.02 46.72 1t3v n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t3v h LYS 13 N 0.00 0.40 0.00 1.61 1.57 -1.99 -3.27 116.57 114.89 1t3v h LYS 13 Ca 0.00 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 1t3v h LYS 13 Cb 0.00 0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1t3v h LYS 13 CO 0.00 1.32 0.00 -0.44 -0.57 0.00 0.00 179.45 179.76 1t3v h ASP 14 N 0.11 0.00 0.00 0.86 3.32 -1.16 -2.09 116.42 117.46 1t3v h ASP 14 Ca -0.19 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.29 1t3v h ASP 14 Cb 2.06 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.55 1t3v h ASP 14 CO 0.24 0.00 1.38 -1.20 -1.72 0.00 0.00 179.24 177.94 1t3v n SER 15 N -2.86 0.47 -4.73 6.45 7.64 -0.95 -4.61 113.62 115.03 1t3v n SER 15 Ca 0.00 0.39 -0.42 0.00 1.01 0.00 0.00 58.87 59.85 1t3v n SER 15 Cb 0.23 -0.82 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 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 6.72 4.35 0.42 1.43 0.04 -1.26 -1.12 135.00 145.58 1t3v s PRO 16 Ca 1.15 2.09 -0.26 0.00 0.04 0.00 0.00 61.00 64.02 1t3v s PRO 16 Cb -1.24 -3.21 -0.09 0.00 0.04 0.00 0.00 34.50 30.00 1t3v s PRO 16 CO 0.52 -0.35 1.40 -1.50 0.04 0.00 0.00 177.00 177.11 1t3v s ILE 17 N 0.51 2.23 0.37 0.56 2.07 -0.61 -2.36 121.20 123.98 1t3v s ILE 17 Ca 0.60 0.21 -0.06 0.00 -1.41 0.00 0.00 60.65 59.99 1t3v s ILE 17 Cb -0.37 -3.13 0.08 0.00 0.13 0.00 0.00 42.46 39.18 1t3v s ILE 17 CO 0.35 0.04 0.51 -0.24 -1.91 0.00 0.00 174.94 173.68 1t3v n SER 18 N 0.08 0.08 -0.07 4.50 2.88 0.39 -4.59 113.62 116.89 1t3v n SER 18 Ca 0.04 -1.21 -0.13 0.00 -1.33 0.00 0.00 58.87 56.24 1t3v n SER 18 Cb 0.42 -0.38 -0.06 0.00 -0.75 0.00 0.00 64.21 63.43 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 -2.06 0.34 -4.01 -1.46 1.02 -1.26 -4.54 120.64 108.66 1t3v n GLU 19 Ca 0.06 0.11 -0.31 0.00 -0.02 0.00 0.00 57.16 57.01 1t3v n GLU 19 Cb 0.22 -1.16 -0.15 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.28 3.67 0.30 -0.32 3.76 -1.26 -1.88 115.29 117.28 1t3v s HIS 20 Ca -0.20 -2.92 0.03 0.00 -0.15 0.00 0.00 55.06 51.82 1t3v s HIS 20 Cb 0.07 -2.82 0.77 0.00 1.11 0.00 0.00 32.58 31.71 1t3v s HIS 20 CO 0.30 -0.94 1.60 0.35 -0.85 0.00 0.00 174.74 175.20 1t3v h PHE 21 N 7.64 0.16 0.00 1.40 3.04 -1.93 -2.21 116.94 125.04 1t3v h PHE 21 Ca -0.05 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1t3v h PHE 21 Cb 1.02 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.61 1t3v h PHE 21 CO 0.47 -0.35 -0.00 0.78 -2.02 0.00 0.00 178.31 177.19 1t3v h GLY 22 N 0.08 0.00 -4.42 2.40 0.00 -1.93 -1.79 103.07 97.41 1t3v h GLY 22 Ca 0.59 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.58 1t3v h GLY 22 CO -0.80 0.00 -0.97 -0.96 0.00 0.00 0.00 176.54 173.81 1t3v n ARG 23 N -3.11 2.35 -2.07 4.80 -4.01 -0.86 -4.27 116.66 109.48 1t3v n ARG 23 Ca -0.02 -3.66 -0.42 0.00 -1.04 0.00 0.00 57.85 52.70 1t3v n ARG 23 Cb 0.11 -1.77 -0.03 0.00 -3.04 0.00 0.00 32.46 27.73 1t3v n ARG 23 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1t3v s ALA 24 N -3.47 3.66 -0.12 2.89 0.00 -0.67 -4.91 121.76 119.14 1t3v s ALA 24 Ca 0.37 1.23 0.27 0.00 0.00 0.00 0.00 51.96 53.83 1t3v s ALA 24 Cb 0.36 -3.57 0.84 0.00 0.00 0.00 0.00 23.12 20.76 1t3v s ALA 24 CO -0.02 -0.68 1.79 -1.00 0.00 0.00 0.00 175.76 175.85 1t3v h PRO 25 N 6.60 0.00 -3.76 0.00 0.13 -1.86 -3.41 132.00 129.70 1t3v h PRO 25 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 1t3v h PRO 25 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1t3v h PRO 25 CO 0.87 0.05 -0.32 0.71 -0.23 0.00 0.00 178.00 179.09 1t3v s TYR 26 N -3.45 0.15 -0.21 1.56 1.51 -1.22 -1.24 117.35 114.45 1t3v s TYR 26 Ca 0.04 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 1t3v s TYR 26 Cb 0.07 -0.01 0.05 0.00 -0.11 0.00 0.00 41.96 41.96 1t3v s TYR 26 CO 0.61 -0.60 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.34 1t3v s PHE 27 N -3.87 2.12 -1.02 2.71 0.08 -1.19 -2.75 117.98 114.06 1t3v s PHE 27 Ca 0.07 -1.49 -0.20 0.00 0.12 0.00 0.00 56.93 55.42 1t3v s PHE 27 Cb 0.04 -1.48 0.09 0.00 -0.57 0.00 0.00 43.02 41.10 1t3v s PHE 27 CO -0.09 -0.72 1.34 0.00 -0.10 0.00 0.00 175.22 175.65 1t3v s ALA 28 N 1.49 3.13 -0.76 5.36 0.00 0.06 -3.65 121.76 127.40 1t3v s ALA 28 Ca -0.03 -2.61 -0.26 0.00 0.00 0.00 0.00 51.96 49.06 1t3v s ALA 28 Cb -0.17 -4.31 0.02 0.00 0.00 0.00 0.00 23.12 18.66 1t3v s ALA 28 CO -0.07 -3.26 1.41 -0.06 0.00 0.00 0.00 175.76 173.77 1t3v s PHE 29 N 3.70 2.20 -0.03 0.00 0.08 0.60 -1.23 117.98 123.30 1t3v s PHE 29 Ca 0.41 0.01 -0.16 0.00 0.12 0.00 0.00 56.93 57.31 1t3v s PHE 29 Cb -0.02 -4.54 -0.05 0.00 -0.57 0.00 0.00 43.02 37.84 1t3v s PHE 29 CO -0.08 -2.09 0.45 0.08 -0.10 0.00 0.00 175.22 173.48 1t3v s VAL 30 N 6.29 5.04 0.00 -0.44 1.01 0.41 -1.47 120.40 131.25 1t3v s VAL 30 Ca 0.42 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1t3v s VAL 30 Cb -0.08 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1t3v s VAL 30 CO 0.13 0.50 0.00 0.29 0.00 0.00 0.00 175.10 176.01 1t3v n LYS 31 N 2.39 0.62 -3.62 2.72 5.02 0.16 -0.02 118.16 125.43 1t3v n LYS 31 Ca -0.11 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.02 1t3v n LYS 31 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.46 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 -0.37 0.02 -0.11 -0.18 0.11 -1.14 -4.58 120.40 114.14 1t3v s VAL 32 Ca 0.00 -0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 58.87 1t3v s VAL 32 Cb 0.00 -0.85 0.06 0.00 -1.53 0.00 0.00 36.38 34.06 1t3v s VAL 32 CO 0.00 -0.07 0.24 -0.75 -3.33 0.00 0.00 175.10 171.18 1t3v s LYS 33 N -0.91 0.13 -1.37 1.54 2.20 0.44 -4.71 119.74 117.06 1t3v s LYS 33 Ca -0.09 0.67 -0.06 0.00 -0.36 0.00 0.00 55.97 56.12 1t3v s LYS 33 Cb -0.02 -0.10 0.04 0.00 -1.51 0.00 0.00 37.83 36.23 1t3v s LYS 33 CO 0.06 -0.26 0.45 0.09 -0.36 0.00 0.00 175.35 175.33 1t3v n ASN 34 N 5.11 -4.71 -0.14 1.43 3.02 -1.26 -0.62 115.26 118.08 1t3v n ASN 34 Ca -0.10 -0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 54.17 1t3v n ASN 34 Cb 0.50 -3.87 -0.01 0.00 -0.61 0.00 0.00 39.78 35.80 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 -2.30 -3.90 -4.70 6.41 5.15 -1.26 -5.04 115.26 109.62 1t3v n ASN 35 Ca -0.08 0.05 -0.28 0.00 -0.60 0.00 0.00 54.58 53.67 1t3v n ASN 35 Cb 0.59 -1.57 -0.09 0.00 -0.53 0.00 0.00 39.78 38.18 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 -1.84 3.56 0.48 5.20 0.00 0.21 -4.98 121.76 124.38 1t3v s ALA 36 Ca 0.00 -1.74 0.22 0.00 0.00 0.00 0.00 51.96 50.44 1t3v s ALA 36 Cb 0.00 -0.04 1.36 0.00 0.00 0.00 0.00 23.12 24.44 1t3v s ALA 36 CO 0.00 -0.13 2.09 0.82 0.00 0.00 0.00 175.76 178.55 1t3v h ILE 37 N 1.54 0.80 0.00 0.00 5.03 -1.86 0.13 117.51 123.14 1t3v h ILE 37 Ca -0.43 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 63.91 1t3v h ILE 37 Cb 1.26 1.23 0.00 0.00 -3.03 0.00 0.00 36.82 36.28 1t3v h ILE 37 CO 0.76 0.10 0.00 0.00 -0.68 0.00 0.00 178.15 178.33 1t3v n ALA 38 N -2.39 0.00 -3.50 1.87 0.00 -1.26 -3.10 120.51 112.13 1t3v n ALA 38 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1t3v n ALA 38 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.45 -0.08 0.00 2.15 -1.26 -4.99 116.67 112.04 1t3v s ASP 39 Ca 0.00 0.15 0.04 0.00 0.43 0.00 0.00 52.55 53.17 1t3v s ASP 39 Cb 0.00 0.44 0.00 0.00 -0.30 0.00 0.00 42.92 43.06 1t3v s ASP 39 CO 0.00 -0.66 -0.21 -0.63 -0.17 0.00 0.00 175.17 173.50 1t3v s ILE 40 N -2.71 1.81 -0.14 4.11 -1.09 -1.26 -0.66 121.20 121.27 1t3v s ILE 40 Ca 0.01 -0.89 -0.00 0.00 -2.23 0.00 0.00 60.65 57.53 1t3v s ILE 40 Cb -0.01 -1.57 0.03 0.00 -1.58 0.00 0.00 42.46 39.33 1t3v s ILE 40 CO -0.06 0.51 -0.07 -0.44 -1.23 0.00 0.00 174.94 173.65 1t3v s SER 41 N 0.29 2.46 -0.54 3.58 0.01 -0.54 -5.01 113.70 113.95 1t3v s SER 41 Ca -0.14 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 56.71 1t3v s SER 41 Cb -0.16 -0.87 0.17 0.00 0.21 0.00 0.00 66.02 65.37 1t3v s SER 41 CO 0.06 -0.15 0.42 0.52 0.41 0.00 0.00 173.24 174.51 1t3v n VAL 42 N 4.92 0.05 -2.02 3.43 0.31 -1.26 -0.30 118.33 123.46 1t3v n VAL 42 Ca -0.12 -4.07 -0.28 0.00 -0.01 0.00 0.00 64.34 59.85 1t3v n VAL 42 Cb 0.49 -1.89 0.07 0.00 -0.91 0.00 0.00 33.84 31.60 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 -0.67 2.23 -0.15 5.55 2.02 -1.24 -4.91 118.70 121.54 1t3v s GLU 43 Ca 0.30 0.05 -0.05 0.00 0.02 0.00 0.00 54.97 55.29 1t3v s GLU 43 Cb 0.01 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.16 1t3v s GLU 43 CO -0.18 -1.35 0.02 -1.21 0.02 0.00 0.00 175.26 172.56 1t3v s GLU 44 N -5.41 3.65 -0.14 1.61 2.02 -1.26 -3.14 118.70 116.03 1t3v s GLU 44 Ca 0.60 -0.40 -0.29 0.00 0.02 0.00 0.00 54.97 54.89 1t3v s GLU 44 Cb -0.11 -3.03 -0.01 0.00 0.10 0.00 0.00 34.13 31.09 1t3v s GLU 44 CO 0.48 0.38 1.04 -0.80 0.02 0.00 0.00 175.26 176.37 1t3v s ASN 45 N 0.04 7.18 0.04 -0.19 0.01 -0.37 -4.90 114.94 116.75 1t3v s ASN 45 Ca 0.03 1.51 0.15 0.00 -0.71 0.00 0.00 52.86 53.85 1t3v s ASN 45 Cb -0.13 -2.55 0.65 0.00 0.41 0.00 0.00 41.25 39.63 1t3v s ASN 45 CO 0.02 -0.53 1.48 -0.81 -1.51 0.00 0.00 177.10 175.75 1t3v n PRO 46 N 5.43 0.03 -2.62 -0.60 -0.04 -1.26 -2.60 135.00 133.34 1t3v n PRO 46 Ca 0.10 0.29 -0.01 0.00 -0.04 0.00 0.00 63.50 63.84 1t3v n PRO 46 Cb 0.48 -1.56 0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.62 1.77 0.21 1.53 4.32 -1.26 -4.87 117.00 117.08 1t3v n LEU 47 Ca 0.03 -3.05 0.06 0.00 -0.02 0.00 0.00 56.01 53.03 1t3v n LEU 47 Cb 0.17 0.36 0.48 0.00 -1.62 0.00 0.00 43.42 42.80 1t3v n LEU 47 CO 0.14 1.06 0.82 0.00 -1.22 0.00 0.00 177.39 178.18 1t3v h ALA 48 N 2.39 1.40 0.00 -1.18 0.00 -1.73 -3.34 119.26 116.81 1t3v h ALA 48 Ca -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1t3v h ALA 48 Cb 1.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1t3v h ALA 48 CO 0.21 0.33 -0.46 0.00 0.00 0.00 0.00 179.25 179.33 1t3v n GLN 49 N -4.00 3.07 -3.73 0.00 -0.00 -1.26 -4.62 117.38 106.83 1t3v n GLN 49 Ca -0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 56.63 1t3v n GLN 49 Cb 0.34 -0.71 -0.08 0.00 -0.00 0.00 0.00 30.24 29.78 1t3v n GLN 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1t3v s ASP 50 N -0.95 6.15 0.00 2.61 -1.08 -1.25 -4.32 116.67 117.81 1t3v s ASP 50 Ca 0.00 0.19 0.00 0.00 -0.52 0.00 0.00 52.55 52.22 1t3v s ASP 50 Cb 0.00 -2.08 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 1t3v s ASP 50 CO 0.00 0.16 0.00 1.41 0.52 0.00 0.00 175.17 177.26 1t3v n HIS 51 N 3.68 0.00 0.00 -5.34 8.25 -1.26 -4.66 115.22 115.89 1t3v n HIS 51 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1t3v n HIS 51 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 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 0.00 0.00 -2.50 1.59 0.31 -1.25 -4.56 118.33 111.93 1t3v n VAL 52 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1t3v n VAL 52 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1t3v n VAL 52 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1t3v s HIS 53 N 0.00 3.56 -4.33 3.52 -3.43 -1.26 -4.49 115.29 108.86 1t3v s HIS 53 Ca 0.00 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 55.81 1t3v s HIS 53 Cb 0.00 -3.30 0.00 0.00 -1.43 0.00 0.00 32.58 27.85 1t3v s HIS 53 CO 0.00 -0.73 0.00 0.41 -2.00 0.00 0.00 174.74 172.42 1t3v n GLY 54 N 2.25 0.72 0.00 -1.38 0.00 -1.26 -4.94 105.19 100.58 1t3v n GLY 54 Ca 0.04 -1.71 0.04 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.00 1.73 -0.28 4.61 0.00 -1.26 -3.99 120.51 120.32 1t3v n ALA 55 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 1t3v n ALA 55 Cb 0.00 -1.12 0.06 0.00 0.00 0.00 0.00 19.45 18.39 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 0.14 0.00 0.00 2.07 -1.87 0.59 116.25 117.18 1t3v h VAL 56 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1t3v h VAL 56 Cb 0.01 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1t3v h VAL 56 CO 0.00 0.00 -0.51 1.55 0.02 0.00 0.00 177.57 178.63 1t3v h PRO 57 N -0.05 0.00 -0.83 1.57 0.14 -1.92 -3.15 132.00 127.75 1t3v h PRO 57 Ca 0.34 0.00 0.02 0.00 0.14 0.00 0.00 66.00 66.50 1t3v h PRO 57 Cb 0.59 0.00 -0.05 0.00 0.14 0.00 0.00 31.00 31.68 1t3v h PRO 57 CO -0.83 0.51 0.55 -0.97 0.14 0.00 0.00 178.00 177.40 1t3v h ASN 58 N 0.00 0.93 0.06 1.44 -1.24 -1.16 0.22 115.58 115.82 1t3v h ASN 58 Ca -0.01 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 1t3v h ASN 58 Cb 1.09 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.91 1t3v h ASN 58 CO 0.07 0.66 -0.10 0.15 -1.29 0.00 0.00 177.43 176.91 1t3v h PHE 59 N 1.09 -0.27 0.00 0.67 3.57 -1.40 -3.07 116.94 117.52 1t3v h PHE 59 Ca 0.32 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1t3v h PHE 59 Cb -0.07 0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1t3v h PHE 59 CO -0.02 -0.12 0.00 1.33 -2.23 0.00 0.00 178.31 177.27 1t3v n VAL 60 N -2.93 1.29 0.23 1.41 0.24 -0.87 -0.50 118.33 117.19 1t3v n VAL 60 Ca -0.02 0.44 0.12 0.00 -2.04 0.00 0.00 64.34 62.84 1t3v n VAL 60 Cb 0.08 -1.37 0.47 0.00 -1.47 0.00 0.00 33.84 31.55 1t3v n VAL 60 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1t3v h LYS 61 N 0.00 0.00 0.00 7.34 3.64 -0.49 -2.96 116.57 124.10 1t3v h LYS 61 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1t3v h LYS 61 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1t3v h LYS 61 CO 0.00 0.14 -0.36 -0.85 -2.27 0.00 0.00 179.45 176.11 1t3v n GLU 62 N -3.25 0.17 -0.97 1.90 0.28 0.34 -4.48 120.64 114.63 1t3v n GLU 62 Ca 0.01 0.08 -0.21 0.00 -0.16 0.00 0.00 57.16 56.88 1t3v n GLU 62 Cb 0.42 -1.64 0.07 0.00 1.43 0.00 0.00 31.44 31.73 1t3v n GLU 62 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1t3v n LYS 63 N -1.90 2.02 -1.45 3.44 4.76 -1.12 -4.84 118.16 119.07 1t3v n LYS 63 Ca 0.05 -2.10 -0.16 0.00 -2.87 0.00 0.00 58.31 53.23 1t3v n LYS 63 Cb 0.40 -1.82 -0.07 0.00 -1.84 0.00 0.00 35.03 31.70 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 -0.23 1.51 3.72 0.72 0.00 -1.26 -4.93 105.19 104.72 1t3v n GLY 64 Ca 0.41 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.33 1.89 0.00 4.61 0.00 -1.26 -4.31 121.76 120.36 1t3v s ALA 65 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1t3v s ALA 65 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1t3v s ALA 65 CO 0.00 -2.21 0.00 0.39 0.00 0.00 0.00 175.76 173.94 1t3v n GLU 66 N -3.65 5.13 -4.09 0.00 1.02 -0.58 -4.79 120.64 113.68 1t3v n GLU 66 Ca 0.11 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 1t3v n GLU 66 Cb 0.52 -0.53 -0.10 0.00 -0.02 0.00 0.00 31.44 31.31 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 -0.33 2.47 -0.00 -4.62 0.20 0.47 -1.88 118.68 115.00 1t3v s LEU 67 Ca 0.00 -0.96 0.01 0.00 0.69 0.00 0.00 54.13 53.87 1t3v s LEU 67 Cb 0.00 0.17 -0.00 0.00 -0.43 0.00 0.00 46.19 45.93 1t3v s LEU 67 CO 0.00 -0.57 -0.03 -0.69 -0.29 0.00 0.00 176.35 174.77 1t3v s VAL 68 N -3.71 0.24 -0.24 1.68 1.01 -0.03 -1.99 120.40 117.37 1t3v s VAL 68 Ca 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1t3v s VAL 68 Cb 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.24 1t3v s VAL 68 CO -0.09 0.07 -0.04 -0.63 0.00 0.00 0.00 175.10 174.41 1t3v s ILE 69 N -0.05 3.25 -0.01 2.22 1.01 0.20 -0.40 121.20 127.42 1t3v s ILE 69 Ca 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1t3v s ILE 69 Cb -0.01 -2.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 1t3v s ILE 69 CO -0.00 0.31 -0.06 0.68 0.00 0.00 0.00 174.94 175.87 1t3v s VAL 70 N 1.43 0.53 0.00 2.92 -7.23 -0.21 -4.28 120.40 113.55 1t3v s VAL 70 Ca 0.04 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 1t3v s VAL 70 Cb -0.15 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.33 1t3v s VAL 70 CO -0.03 0.16 0.47 -1.14 -0.31 0.00 0.00 175.10 174.24 1t3v n ARG 71 N 3.04 0.00 -0.03 4.82 0.63 -1.26 -1.08 116.66 122.78 1t3v n ARG 71 Ca -0.14 0.15 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 1t3v n ARG 71 Cb 0.57 -1.01 -0.03 0.00 0.45 0.00 0.00 32.46 32.44 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 0.18 -0.15 7.00 5.14 0.00 -0.79 -2.76 105.19 113.82 1t3v n GLY 72 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.53 0.00 -3.56 -0.61 3.06 -1.22 -4.98 119.36 109.52 1t3v n ILE 73 Ca -0.11 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.18 1t3v n ILE 73 Cb 0.64 0.00 -0.00 0.00 0.54 0.00 0.00 39.64 40.82 1t3v n ILE 73 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1t3v s GLY 74 N -0.96 -0.50 0.19 4.50 0.00 -1.26 -4.89 107.32 104.40 1t3v s GLY 74 Ca 0.00 1.00 -0.14 0.00 0.00 0.00 0.00 44.72 45.59 1t3v s GLY 74 CO 0.00 0.19 1.69 -0.09 0.00 0.00 0.00 173.10 174.89 1t3v h ARG 75 N 2.00 0.12 -0.17 2.90 1.12 -1.99 -1.23 114.38 117.13 1t3v h ARG 75 Ca -0.33 -0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.59 1t3v h ARG 75 Cb 1.19 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.11 1t3v h ARG 75 CO 0.30 0.08 0.26 0.07 -3.11 0.00 0.00 179.97 177.56 1t3v h ARG 76 N 0.13 0.00 0.01 0.20 0.11 -2.00 -1.18 114.38 111.64 1t3v h ARG 76 Ca 0.25 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.99 1t3v h ARG 76 Cb 0.37 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.39 1t3v h ARG 76 CO -0.40 0.00 -2.13 0.00 0.10 0.00 0.00 179.97 177.53 1t3v n ALA 77 N -2.22 1.47 -0.19 0.08 0.00 -0.48 -3.98 120.51 115.18 1t3v n ALA 77 Ca 0.02 -1.08 -0.00 0.00 0.00 0.00 0.00 53.44 52.37 1t3v n ALA 77 Cb 0.37 -0.44 0.09 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 0.67 -0.02 0.00 1.08 -1.06 -1.90 117.51 116.29 1t3v h ILE 78 Ca -0.45 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1t3v h ILE 78 Cb 2.13 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 36.27 1t3v h ILE 78 CO 0.04 0.05 0.07 0.00 -0.69 0.00 0.00 178.15 177.62 1t3v h ALA 79 N 1.45 1.20 0.00 1.87 0.00 -1.39 -1.85 119.26 120.54 1t3v h ALA 79 Ca 0.29 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1t3v h ALA 79 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1t3v h ALA 79 CO -0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 179.25 178.80 1t3v h ALA 80 N 1.88 -0.00 -0.90 0.00 0.00 -1.49 -2.77 119.26 115.97 1t3v h ALA 80 Ca 0.01 -0.41 0.12 0.00 0.00 0.00 0.00 54.91 54.62 1t3v h ALA 80 Cb 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.80 1t3v h ALA 80 CO -0.00 -0.09 -0.42 0.34 0.00 0.00 0.00 179.25 179.09 1t3v n PHE 81 N -4.69 -0.12 0.41 0.00 7.35 -1.02 -1.29 117.46 118.10 1t3v n PHE 81 Ca -0.09 1.12 0.09 0.00 -0.76 0.00 0.00 57.45 57.80 1t3v n PHE 81 Cb 0.40 -0.74 0.38 0.00 0.35 0.00 0.00 39.48 39.87 1t3v n PHE 81 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1t3v n GLU 82 N -5.26 0.09 0.17 -4.13 1.02 -0.73 -0.08 120.64 111.73 1t3v n GLU 82 Ca 0.07 0.36 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1t3v n GLU 82 Cb 0.32 -1.68 0.23 0.00 -0.02 0.00 0.00 31.44 30.29 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 2.35 0.96 0.00 0.62 0.00 -0.90 -3.38 119.26 118.90 1t3v h ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1t3v h ALA 83 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1t3v h ALA 83 CO 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.13 1t3v n MET 84 N -2.80 0.66 -2.20 0.00 0.00 0.51 -4.99 117.12 108.30 1t3v n MET 84 Ca 0.04 -0.99 -0.19 0.00 0.00 0.00 0.00 57.70 56.56 1t3v n MET 84 Cb 0.50 -0.68 -0.03 0.00 0.00 0.00 0.00 33.22 33.01 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 -0.22 0.07 3.60 3.17 0.00 0.89 -4.91 105.19 107.79 1t3v n GLY 85 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.86 4.20 0.68 1.61 1.01 -0.36 -4.96 120.40 119.73 1t3v s VAL 86 Ca 0.00 1.24 -0.17 0.00 0.00 0.00 0.00 61.98 63.05 1t3v s VAL 86 Cb 0.00 -4.57 -0.00 0.00 0.00 0.00 0.00 36.38 31.81 1t3v s VAL 86 CO 0.00 -0.96 1.06 1.17 0.00 0.00 0.00 175.10 176.36 1t3v n LYS 87 N 7.80 0.71 -3.73 2.72 4.81 -0.79 -4.58 118.16 125.10 1t3v n LYS 87 Ca 0.12 0.30 -0.29 0.00 -0.87 0.00 0.00 58.31 57.56 1t3v n LYS 87 Cb 0.49 -2.30 -0.13 0.00 0.02 0.00 0.00 35.03 33.11 1t3v n LYS 87 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1t3v s VAL 88 N -1.67 1.52 -1.11 3.15 1.01 -1.26 -0.85 120.40 121.19 1t3v s VAL 88 Ca 0.76 -2.65 -0.22 0.00 0.00 0.00 0.00 61.98 59.87 1t3v s VAL 88 Cb -0.36 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 33.97 1t3v s VAL 88 CO 0.47 -0.89 1.70 -0.63 0.00 0.00 0.00 175.10 175.75 1t3v s ILE 89 N 0.26 3.84 0.26 2.22 1.01 0.46 -4.54 121.20 124.71 1t3v s ILE 89 Ca 0.18 -1.07 -0.27 0.00 0.00 0.00 0.00 60.65 59.49 1t3v s ILE 89 Cb -0.24 -4.83 -0.09 0.00 0.01 0.00 0.00 42.46 37.31 1t3v s ILE 89 CO -0.00 -1.64 0.91 -0.54 0.00 0.00 0.00 174.94 173.67 1t3v s LYS 90 N 5.36 4.69 0.00 2.79 1.02 -1.20 -1.05 119.74 131.34 1t3v s LYS 90 Ca 0.56 1.36 0.00 0.00 0.02 0.00 0.00 55.97 57.91 1t3v s LYS 90 Cb -0.00 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1t3v s LYS 90 CO 0.01 0.42 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1t3v n GLY 91 N 1.08 1.49 3.81 -3.33 0.00 -0.24 -4.56 105.19 103.44 1t3v n GLY 91 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 2.25 0.18 4.61 0.00 -0.92 -4.94 121.76 120.94 1t3v s ALA 92 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 1t3v s ALA 92 Cb 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1t3v s ALA 92 CO 0.00 -1.77 0.41 -1.54 0.00 0.00 0.00 175.76 172.86 1t3v s SER 93 N -4.01 -0.11 0.00 0.00 1.04 -1.26 -4.38 113.70 104.98 1t3v s SER 93 Ca 0.61 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1t3v s SER 93 Cb -0.14 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1t3v s SER 93 CO 0.53 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1t3v n GLY 94 N -0.28 1.75 3.85 7.32 0.00 -1.26 -4.61 105.19 111.96 1t3v n GLY 94 Ca -0.08 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.46 4.57 0.17 2.61 -4.23 -1.26 -1.57 115.64 114.48 1t3v s THR 95 Ca 0.00 1.09 -0.15 0.00 -1.18 0.00 0.00 61.69 61.45 1t3v s THR 95 Cb 0.00 -3.76 0.06 0.00 1.34 0.00 0.00 72.50 70.14 1t3v s THR 95 CO 0.00 -0.84 1.73 0.58 -0.54 0.00 0.00 174.62 175.55 1t3v h VAL 96 N 0.48 0.79 -0.52 2.29 2.07 -1.10 0.68 116.25 120.94 1t3v h VAL 96 Ca -0.46 -0.07 0.15 0.00 0.82 0.00 0.00 66.70 67.14 1t3v h VAL 96 Cb 1.19 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1t3v h VAL 96 CO 0.61 0.04 0.38 1.05 0.02 0.00 0.00 177.57 179.67 1t3v h GLU 97 N 0.22 0.00 0.05 1.57 4.11 -1.68 -0.64 114.58 118.21 1t3v h GLU 97 Ca 0.20 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.32 1t3v h GLU 97 Cb 0.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1t3v h GLU 97 CO -0.26 0.00 -1.72 -1.91 0.07 0.00 0.00 179.01 175.20 1t3v n GLU 98 N -4.34 0.64 -0.24 1.06 2.13 -0.52 -2.96 120.64 116.42 1t3v n GLU 98 Ca 0.09 0.41 0.04 0.00 0.66 0.00 0.00 57.16 58.37 1t3v n GLU 98 Cb 0.60 -1.70 0.16 0.00 0.27 0.00 0.00 31.44 30.77 1t3v n GLU 98 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1t3v h VAL 99 N -0.56 0.59 -0.13 6.31 2.07 -0.65 0.28 116.25 124.17 1t3v h VAL 99 Ca -0.42 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1t3v h VAL 99 Cb 1.63 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1t3v h VAL 99 CO -0.12 0.06 0.05 0.58 0.02 0.00 0.00 177.57 178.16 1t3v h VAL 100 N 0.31 1.15 -0.11 2.57 2.07 -1.26 -2.65 116.25 118.33 1t3v h VAL 100 Ca 0.38 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1t3v h VAL 100 Cb 0.61 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1t3v h VAL 100 CO -0.45 0.14 -0.04 -1.13 0.02 0.00 0.00 177.57 176.11 1t3v h ASN 101 N 0.05 -0.15 -0.81 0.57 -0.73 -1.17 0.55 115.58 113.89 1t3v h ASN 101 Ca 0.04 0.04 0.10 0.00 1.87 0.00 0.00 56.30 58.35 1t3v h ASN 101 Cb 0.18 0.09 -0.07 0.00 0.27 0.00 0.00 38.32 38.78 1t3v h ASN 101 CO -0.00 -0.06 0.45 1.56 -0.37 0.00 0.00 177.43 179.01 1t3v h GLN 102 N -0.03 0.73 -0.02 6.67 1.08 -0.94 0.73 115.11 123.34 1t3v h GLN 102 Ca 0.06 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1t3v h GLN 102 Cb 0.12 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1t3v h GLN 102 CO -0.13 0.48 -0.02 -0.92 -0.95 0.00 0.00 178.83 177.29 1t3v h TYR 103 N 0.75 0.07 0.00 2.96 3.20 -1.15 -0.21 116.97 122.59 1t3v h TYR 103 Ca 0.40 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1t3v h TYR 103 Cb 0.38 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 1t3v h TYR 103 CO -0.07 0.52 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.84 1t3v h LEU 104 N -0.40 0.00 0.01 2.82 3.38 -0.25 0.49 115.31 121.36 1t3v h LEU 104 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 1t3v h LEU 104 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1t3v h LEU 104 CO 0.01 0.06 -1.11 0.28 0.09 0.00 0.00 178.44 177.77 1t3v h SER 105 N 0.00 0.04 0.00 -0.43 0.02 -0.92 -3.49 113.55 108.77 1t3v h SER 105 Ca -0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1t3v h SER 105 Cb 0.38 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1t3v h SER 105 CO 0.01 1.03 0.00 0.61 -1.14 0.00 0.00 176.83 177.34 1t3v n GLY 106 N 1.39 1.03 0.07 -3.77 0.00 0.16 -5.02 105.19 99.06 1t3v n GLY 106 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 0.63 0.01 -6.72 1.61 4.20 -1.25 -3.44 115.11 110.16 1t3v h GLN 107 Ca 0.00 -0.02 -0.52 0.00 0.06 0.00 0.00 58.65 58.17 1t3v h GLN 107 Cb 0.00 0.01 0.02 0.00 0.30 0.00 0.00 27.48 27.81 1t3v h GLN 107 CO 0.00 0.87 0.54 -1.17 -0.67 0.00 0.00 178.83 178.40 1t3v s LEU 108 N -6.56 4.48 0.22 1.46 2.96 -1.15 -5.00 118.68 115.08 1t3v s LEU 108 Ca -0.01 2.27 0.06 0.00 -0.22 0.00 0.00 54.13 56.22 1t3v s LEU 108 Cb 0.09 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1t3v s LEU 108 CO 0.82 -0.31 -0.07 -1.59 -1.32 0.00 0.00 176.35 173.88 1t3v s LYS 109 N -0.67 1.32 -0.06 1.98 0.00 -1.26 -4.82 119.74 116.23 1t3v s LYS 109 Ca 0.50 -1.63 0.08 0.00 0.00 0.00 0.00 55.97 54.93 1t3v s LYS 109 Cb -0.33 -0.87 0.15 0.00 0.00 0.00 0.00 37.83 36.78 1t3v s LYS 109 CO 0.39 0.04 1.09 -0.40 0.00 0.00 0.00 175.35 176.47 1t3v n ASP 110 N -0.40 2.26 0.00 0.03 5.75 -1.26 -3.28 116.55 119.65 1t3v n ASP 110 Ca -0.07 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.26 1t3v n ASP 110 Cb 0.62 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 -0.80 -2.07 -3.63 -1.12 3.41 -1.26 -4.60 113.62 103.55 1t3v n SER 111 Ca 0.07 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.47 1t3v n SER 111 Cb 0.43 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.21 1t3v n SER 111 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1t3v s ASP 112 N -4.00 1.59 0.24 4.04 1.47 -1.26 -5.12 116.67 113.62 1t3v s ASP 112 Ca 0.00 -0.19 0.01 0.00 1.18 0.00 0.00 52.55 53.55 1t3v s ASP 112 Cb 0.00 -0.06 -0.05 0.00 -0.34 0.00 0.00 42.92 42.47 1t3v s ASP 112 CO 0.00 -0.30 0.07 -0.47 0.68 0.00 0.00 175.17 175.16 1t3v s TYR 113 N 2.19 1.46 0.20 2.11 5.04 -1.26 -5.12 117.35 121.96 1t3v s TYR 113 Ca 0.04 -1.14 -0.30 0.00 -2.44 0.00 0.00 57.07 53.22 1t3v s TYR 113 Cb -0.14 -0.84 -0.09 0.00 0.35 0.00 0.00 41.96 41.24 1t3v s TYR 113 CO -0.07 -0.31 1.29 -1.21 -1.34 0.00 0.00 175.55 173.91 1t3v s GLU 114 N -4.01 4.40 0.12 4.97 2.02 -1.26 -4.96 118.70 119.99 1t3v s GLU 114 Ca 0.35 2.02 -0.32 0.00 0.02 0.00 0.00 54.97 57.04 1t3v s GLU 114 Cb 0.07 -3.20 -0.11 0.00 0.10 0.00 0.00 34.13 30.99 1t3v s GLU 114 CO 0.11 -0.23 1.79 0.28 0.02 0.00 0.00 175.26 177.23 1t3v n VAL 115 N 2.60 0.28 -1.37 2.63 0.31 -1.26 -4.83 118.33 116.68 1t3v n VAL 115 Ca 0.06 -0.05 -0.54 0.00 -0.01 0.00 0.00 64.34 63.80 1t3v n VAL 115 Cb 0.43 -1.99 -0.09 0.00 -0.91 0.00 0.00 33.84 31.28 1t3v n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t3v n HIS 116 N 5.14 1.40 -0.27 3.52 1.44 -1.26 -4.87 115.22 120.32 1t3v n HIS 116 Ca 0.18 0.47 0.05 0.00 -2.01 0.00 0.00 57.72 56.40 1t3v n HIS 116 Cb 0.35 -2.44 0.15 0.00 0.12 0.00 0.00 29.99 28.17 1t3v n HIS 116 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1t3v h ASP 117 N 11.17 -0.50 0.04 4.39 3.58 -2.04 0.45 116.42 133.52 1t3v h ASP 117 Ca -0.20 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1t3v h ASP 117 Cb 1.36 0.41 0.00 0.00 1.72 0.00 0.00 39.33 42.82 1t3v h ASP 117 CO 1.06 -0.22 0.00 1.57 -2.88 0.00 0.00 179.24 178.77 1t3v n HIS 118 N -5.42 0.16 -3.39 0.28 -0.00 -1.26 -4.86 115.22 100.73 1t3v n HIS 118 Ca 0.13 0.08 -0.15 0.00 0.46 0.00 0.00 57.72 58.25 1t3v n HIS 118 Cb 0.47 -0.63 -0.03 0.00 -0.12 0.00 0.00 29.99 29.68 1t3v n HIS 118 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1t3v n HIS 119 N -1.66 -0.55 0.27 1.57 -0.00 0.15 -4.80 115.22 110.19 1t3v n HIS 119 Ca -0.00 0.22 0.09 0.00 -0.00 0.00 0.00 57.72 58.03 1t3v n HIS 119 Cb 0.02 -1.21 0.70 0.00 -0.00 0.00 0.00 29.99 29.50 1t3v n HIS 119 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1t3v h HIS 120 N -0.06 0.00 -6.14 1.57 2.76 -1.89 -3.46 115.15 107.94 1t3v h HIS 120 Ca -0.29 0.00 -0.44 0.00 -2.20 0.00 0.00 60.37 57.44 1t3v h HIS 120 Cb 0.61 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.59 1t3v h HIS 120 CO 0.21 0.00 -0.77 1.58 -1.30 0.00 0.00 177.93 177.65 1t3v n HIS 121 N -4.40 -2.24 -2.05 5.26 -0.00 -1.26 -4.84 115.22 105.69 1t3v n HIS 121 Ca -0.03 0.90 -0.42 0.00 -0.00 0.00 0.00 57.72 58.17 1t3v n HIS 121 Cb 0.09 -4.31 -0.00 0.00 -0.00 0.00 0.00 29.99 25.77 1t3v n HIS 121 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1t3v n GLU 122 N -4.56 2.98 0.00 1.57 0.28 -1.26 -3.57 120.64 116.08 1t3v n GLU 122 Ca -0.10 -2.85 0.00 0.00 -0.16 0.00 0.00 57.16 54.05 1t3v n GLU 122 Cb 0.59 -3.37 0.00 0.00 1.43 0.00 0.00 31.44 30.09 1t3v n GLU 122 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1t3v n HIS 123 N 6.97 0.00 -1.67 -1.84 1.44 -1.26 -5.23 115.22 113.63 1t3v n HIS 123 Ca 0.51 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.22 1t3v n HIS 123 Cb 0.42 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.53 1t3v n HIS 123 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11