#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 3.26 -0.27 3.17 1.01 -1.26 -1.59 121.20 125.52 1t3v s ILE 2 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 60.65 59.42 1t3v s ILE 2 Cb 0.00 -2.49 0.08 0.00 0.01 0.00 0.00 42.46 40.06 1t3v s ILE 2 CO 0.00 0.18 0.04 -0.63 0.00 0.00 0.00 174.94 174.53 1t3v s ILE 3 N -1.14 1.02 0.24 2.92 1.01 0.12 -0.40 121.20 124.97 1t3v s ILE 3 Ca 0.19 -1.20 -0.29 0.00 0.00 0.00 0.00 60.65 59.35 1t3v s ILE 3 Cb -0.11 -1.60 -0.09 0.00 0.01 0.00 0.00 42.46 40.67 1t3v s ILE 3 CO 0.11 -0.42 0.92 0.00 0.00 0.00 0.00 174.94 175.55 1t3v s ALA 4 N 1.58 3.35 -0.11 9.38 0.00 -0.66 -0.42 121.76 134.88 1t3v s ALA 4 Ca 0.04 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1t3v s ALA 4 Cb -0.18 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.79 1t3v s ALA 4 CO -0.15 0.22 -0.04 0.42 0.00 0.00 0.00 175.76 176.21 1t3v s ILE 5 N -1.19 0.77 -0.06 0.00 1.01 -0.08 -0.55 121.20 121.10 1t3v s ILE 5 Ca 0.41 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 1t3v s ILE 5 Cb -0.25 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 1t3v s ILE 5 CO 0.31 0.25 1.54 -2.16 0.00 0.00 0.00 174.94 174.89 1t3v s PRO 6 N 1.80 4.21 0.08 2.79 0.04 -1.26 -0.63 135.00 142.03 1t3v s PRO 6 Ca 0.04 2.07 0.08 0.00 0.04 0.00 0.00 61.00 63.23 1t3v s PRO 6 Cb -0.13 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 1t3v s PRO 6 CO -0.07 -0.77 -0.18 0.14 0.04 0.00 0.00 177.00 176.16 1t3v s VAL 7 N 3.57 2.83 0.30 -0.36 -7.23 -1.10 -0.42 120.40 117.99 1t3v s VAL 7 Ca 0.68 -1.34 0.09 0.00 -1.81 0.00 0.00 61.98 59.61 1t3v s VAL 7 Cb -0.31 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.40 1t3v s VAL 7 CO 0.26 0.22 1.69 0.28 -0.31 0.00 0.00 175.10 177.24 1t3v h SER 8 N 4.13 0.09 -5.10 4.85 0.02 -1.21 -3.26 113.55 113.07 1t3v h SER 8 Ca -0.49 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.31 1t3v h SER 8 Cb 1.16 -0.03 -0.16 0.00 0.14 0.00 0.00 62.40 63.51 1t3v h SER 8 CO 0.47 0.57 -0.40 -1.61 -1.14 0.00 0.00 176.83 174.72 1t3v s GLU 9 N -3.93 0.72 -0.50 3.45 0.41 -1.26 -4.74 118.70 112.84 1t3v s GLU 9 Ca -0.03 -0.74 -0.22 0.00 -0.41 0.00 0.00 54.97 53.57 1t3v s GLU 9 Cb 0.13 0.30 0.04 0.00 -1.78 0.00 0.00 34.13 32.82 1t3v s GLU 9 CO 0.76 -0.21 0.75 1.21 -0.49 0.00 0.00 175.26 177.28 1t3v s ASN 10 N -2.32 6.30 -0.25 -0.19 3.84 -1.26 -4.36 114.94 116.70 1t3v s ASN 10 Ca -0.02 -0.53 0.17 0.00 0.21 0.00 0.00 52.86 52.69 1t3v s ASN 10 Cb 0.01 -2.36 0.49 0.00 -0.55 0.00 0.00 41.25 38.84 1t3v s ASN 10 CO -0.06 -0.99 1.14 0.54 -2.79 0.00 0.00 177.10 174.94 1t3v n ARG 11 N 6.69 2.26 0.00 0.43 1.74 -1.26 -4.98 116.66 121.54 1t3v n ARG 11 Ca -0.02 -3.64 0.00 0.00 -0.77 0.00 0.00 57.85 53.42 1t3v n ARG 11 Cb 0.47 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.59 0.00 0.58 -0.13 0.00 -1.26 -1.79 105.19 102.00 1t3v n GLY 12 Ca 0.20 0.44 -0.14 0.00 0.00 0.00 0.00 46.02 46.52 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 0.28 0.00 1.61 5.02 -1.26 -4.65 118.16 119.16 1t3v n LYS 13 Ca 0.00 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1t3v n LYS 13 Cb 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 -3.64 0.00 -4.39 4.39 9.92 -0.74 -2.50 116.55 119.59 1t3v n ASP 14 Ca -0.25 0.32 -0.53 0.00 -0.53 0.00 0.00 54.79 53.80 1t3v n ASP 14 Cb 0.65 -0.32 -0.08 0.00 -0.64 0.00 0.00 41.12 40.72 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 -1.32 1.73 -4.74 -2.24 7.64 -1.20 -4.78 113.62 108.70 1t3v n SER 15 Ca 0.00 0.47 -0.41 0.00 1.01 0.00 0.00 58.87 59.94 1t3v n SER 15 Cb 0.00 -1.16 -0.04 0.00 -1.01 0.00 0.00 64.21 62.00 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 6.23 4.61 0.28 1.43 0.04 -1.26 -0.98 135.00 145.35 1t3v s PRO 16 Ca 1.13 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 63.63 1t3v s PRO 16 Cb -1.03 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 30.16 1t3v s PRO 16 CO 0.53 0.12 1.38 -1.50 0.04 0.00 0.00 177.00 177.57 1t3v s ILE 17 N -0.55 2.70 0.92 0.56 2.07 -0.87 -0.80 121.20 125.25 1t3v s ILE 17 Ca 0.48 0.64 -0.12 0.00 -1.41 0.00 0.00 60.65 60.23 1t3v s ILE 17 Cb -0.30 -3.41 0.14 0.00 0.13 0.00 0.00 42.46 39.02 1t3v s ILE 17 CO 0.37 0.12 1.14 -0.55 -1.91 0.00 0.00 174.94 174.11 1t3v s SER 18 N -0.01 3.39 -0.06 4.50 0.15 0.43 -4.56 113.70 117.55 1t3v s SER 18 Ca 0.54 0.97 0.10 0.00 0.70 0.00 0.00 55.95 58.26 1t3v s SER 18 Cb -0.41 -1.54 -0.15 0.00 -1.71 0.00 0.00 66.02 62.21 1t3v s SER 18 CO 0.48 -2.62 0.15 -0.62 1.20 0.00 0.00 173.24 171.82 1t3v n GLU 19 N -3.81 1.26 -3.91 5.44 1.02 -1.26 -4.45 120.64 114.92 1t3v n GLU 19 Ca 0.07 -0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 1t3v n GLU 19 Cb 0.59 -1.26 -0.14 0.00 -0.02 0.00 0.00 31.44 30.61 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 -2.53 3.03 0.28 -0.32 3.76 -1.26 -1.76 115.29 116.50 1t3v s HIS 20 Ca -0.05 -3.08 -0.07 0.00 -0.15 0.00 0.00 55.06 51.71 1t3v s HIS 20 Cb 0.05 -2.68 0.49 0.00 1.11 0.00 0.00 32.58 31.56 1t3v s HIS 20 CO 0.44 -0.73 1.55 0.34 -0.85 0.00 0.00 174.74 175.49 1t3v n PHE 21 N 3.08 0.39 0.22 1.40 -0.00 -1.25 -1.37 117.46 119.92 1t3v n PHE 21 Ca 0.07 1.21 0.12 0.00 -0.00 0.00 0.00 57.45 58.84 1t3v n PHE 21 Cb 0.33 -1.09 0.60 0.00 -0.00 0.00 0.00 39.48 39.31 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 0.00 -5.22 7.13 0.00 -1.86 -2.09 103.07 101.03 1t3v h GLY 22 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.45 1t3v h GLY 22 CO -1.01 0.00 -1.11 -0.96 0.00 0.00 0.00 176.54 173.46 1t3v n ARG 23 N -2.30 1.10 -2.64 4.80 1.85 -0.47 -4.63 116.66 114.37 1t3v n ARG 23 Ca -0.01 -3.12 -0.32 0.00 -1.00 0.00 0.00 57.85 53.40 1t3v n ARG 23 Cb 0.08 -1.24 -0.04 0.00 -1.05 0.00 0.00 32.46 30.21 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 -2.60 3.15 -0.19 2.89 0.00 -0.79 -4.83 121.76 119.39 1t3v s ALA 24 Ca 0.29 0.12 0.20 0.00 0.00 0.00 0.00 51.96 52.57 1t3v s ALA 24 Cb 0.43 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 1t3v s ALA 24 CO 0.00 -0.07 0.97 -1.00 0.00 0.00 0.00 175.76 175.66 1t3v h PRO 25 N 1.29 0.00 -4.14 0.00 0.13 -1.86 -3.40 132.00 124.02 1t3v h PRO 25 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1t3v h PRO 25 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 1t3v h PRO 25 CO 0.62 0.13 -0.58 0.71 -0.23 0.00 0.00 178.00 178.65 1t3v s TYR 26 N -3.17 0.46 -0.22 1.56 1.51 -1.23 -1.71 117.35 114.55 1t3v s TYR 26 Ca -0.01 -0.95 -0.00 0.00 -1.01 0.00 0.00 57.07 55.09 1t3v s TYR 26 Cb 0.09 -0.30 0.06 0.00 -0.11 0.00 0.00 41.96 41.70 1t3v s TYR 26 CO 0.80 -0.45 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.68 1t3v s PHE 27 N -3.92 2.10 -1.10 2.71 0.08 -0.59 -2.71 117.98 114.54 1t3v s PHE 27 Ca 0.09 -1.54 -0.21 0.00 0.12 0.00 0.00 56.93 55.39 1t3v s PHE 27 Cb 0.07 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 41.12 1t3v s PHE 27 CO -0.08 -0.73 1.53 0.00 -0.10 0.00 0.00 175.22 175.84 1t3v s ALA 28 N 1.50 2.91 -0.70 5.36 0.00 0.20 -1.85 121.76 129.18 1t3v s ALA 28 Ca -0.04 -2.47 -0.27 0.00 0.00 0.00 0.00 51.96 49.18 1t3v s ALA 28 Cb -0.18 -4.56 0.01 0.00 0.00 0.00 0.00 23.12 18.39 1t3v s ALA 28 CO -0.07 -3.51 1.47 -0.06 0.00 0.00 0.00 175.76 173.60 1t3v s PHE 29 N 4.70 2.08 0.12 0.00 0.08 0.41 -0.90 117.98 124.47 1t3v s PHE 29 Ca 0.48 0.23 -0.19 0.00 0.12 0.00 0.00 56.93 57.58 1t3v s PHE 29 Cb 0.01 -4.45 -0.07 0.00 -0.57 0.00 0.00 43.02 37.94 1t3v s PHE 29 CO -0.05 -2.15 0.61 0.08 -0.10 0.00 0.00 175.22 173.61 1t3v s VAL 30 N 6.84 4.71 0.18 -0.44 1.01 0.43 -0.99 120.40 132.14 1t3v s VAL 30 Ca 0.46 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1t3v s VAL 30 Cb -0.10 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.45 1t3v s VAL 30 CO 0.17 0.42 0.25 0.29 0.00 0.00 0.00 175.10 176.23 1t3v n LYS 31 N 1.32 0.48 -3.77 2.72 5.02 -0.23 0.11 118.16 123.82 1t3v n LYS 31 Ca -0.07 -0.71 -0.13 0.00 -2.02 0.00 0.00 58.31 55.38 1t3v n LYS 31 Cb 0.51 -0.16 -0.13 0.00 -0.02 0.00 0.00 35.03 35.23 1t3v n LYS 31 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1t3v s VAL 32 N -0.54 -0.02 -0.11 -0.18 1.01 -0.62 -4.36 120.40 115.57 1t3v s VAL 32 Ca 0.17 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1t3v s VAL 32 Cb -0.01 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 36.09 1t3v s VAL 32 CO 0.11 0.04 -0.02 -0.75 0.00 0.00 0.00 175.10 174.48 1t3v s LYS 33 N 0.75 0.97 -1.32 2.72 2.20 -0.28 -4.43 119.74 120.36 1t3v s LYS 33 Ca -0.05 -0.11 -0.24 0.00 -0.36 0.00 0.00 55.97 55.20 1t3v s LYS 33 Cb -0.07 -1.37 0.03 0.00 -1.51 0.00 0.00 37.83 34.91 1t3v s LYS 33 CO -0.04 -0.34 0.48 0.09 -0.36 0.00 0.00 175.35 175.18 1t3v n ASN 34 N 5.05 -2.60 -4.02 1.43 3.02 -1.26 -0.24 115.26 116.64 1t3v n ASN 34 Ca -0.09 -1.29 -0.41 0.00 -0.03 0.00 0.00 54.58 52.75 1t3v n ASN 34 Cb 0.49 -1.66 0.01 0.00 -0.61 0.00 0.00 39.78 38.02 1t3v n ASN 34 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1t3v n ASN 35 N -2.38 -4.27 -4.01 6.41 3.02 -1.26 -5.03 115.26 107.75 1t3v n ASN 35 Ca -0.18 -1.22 -0.11 0.00 -0.03 0.00 0.00 54.58 53.04 1t3v n ASN 35 Cb 0.60 -1.58 -0.07 0.00 -0.61 0.00 0.00 39.78 38.12 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1t3v s ALA 36 N -3.38 0.55 0.63 5.41 0.00 0.67 -5.05 121.76 120.58 1t3v s ALA 36 Ca 0.36 -1.34 0.43 0.00 0.00 0.00 0.00 51.96 51.40 1t3v s ALA 36 Cb -0.20 1.24 2.31 0.00 0.00 0.00 0.00 23.12 26.47 1t3v s ALA 36 CO 0.95 -0.72 2.34 0.82 0.00 0.00 0.00 175.76 179.15 1t3v h ILE 37 N 2.40 0.06 0.00 0.00 5.03 -1.82 -0.72 117.51 122.46 1t3v h ILE 37 Ca -0.31 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.40 1t3v h ILE 37 Cb 1.25 1.03 0.00 0.00 -3.03 0.00 0.00 36.82 36.07 1t3v h ILE 37 CO 0.44 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.91 1t3v n ALA 38 N -2.11 0.00 -3.61 1.87 0.00 -1.26 -2.97 120.51 112.43 1t3v n ALA 38 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1t3v n ALA 38 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.20 -0.04 0.00 2.15 -1.26 -4.98 116.67 112.34 1t3v s ASP 39 Ca 0.00 -0.12 0.01 0.00 0.43 0.00 0.00 52.55 52.87 1t3v s ASP 39 Cb 0.00 0.30 0.02 0.00 -0.30 0.00 0.00 42.92 42.94 1t3v s ASP 39 CO 0.00 -0.52 -0.02 -0.63 -0.17 0.00 0.00 175.17 173.83 1t3v s ILE 40 N -2.83 0.36 -0.50 4.11 -1.09 -1.26 -1.06 121.20 118.92 1t3v s ILE 40 Ca 0.10 -0.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.54 1t3v s ILE 40 Cb 0.00 -0.43 0.14 0.00 -1.58 0.00 0.00 42.46 40.59 1t3v s ILE 40 CO -0.04 0.19 0.27 -0.44 -1.23 0.00 0.00 174.94 173.69 1t3v s SER 41 N 1.03 4.02 -1.15 3.58 0.01 -0.17 -5.00 113.70 116.02 1t3v s SER 41 Ca -0.09 -2.92 -0.13 0.00 1.31 0.00 0.00 55.95 54.11 1t3v s SER 41 Cb -0.14 -1.37 0.19 0.00 0.21 0.00 0.00 66.02 64.92 1t3v s SER 41 CO -0.01 -0.23 1.32 -0.69 0.41 0.00 0.00 173.24 174.04 1t3v s VAL 42 N -0.11 5.23 0.38 3.43 1.01 -1.26 -0.44 120.40 128.65 1t3v s VAL 42 Ca 0.18 -2.72 -0.23 0.00 0.00 0.00 0.00 61.98 59.21 1t3v s VAL 42 Cb -0.23 -4.82 -0.10 0.00 0.00 0.00 0.00 36.38 31.22 1t3v s VAL 42 CO -0.02 -1.50 0.96 -1.61 0.00 0.00 0.00 175.10 172.93 1t3v s GLU 43 N 1.02 4.37 0.64 2.72 0.41 -0.77 -4.85 118.70 122.23 1t3v s GLU 43 Ca 0.39 1.24 -0.18 0.00 -0.41 0.00 0.00 54.97 56.00 1t3v s GLU 43 Cb -0.05 -2.47 -0.02 0.00 -1.78 0.00 0.00 34.13 29.82 1t3v s GLU 43 CO -0.03 0.09 1.30 -1.21 -0.49 0.00 0.00 175.26 174.92 1t3v s GLU 44 N -2.65 2.63 -0.46 1.61 8.01 -1.26 -1.54 118.70 125.03 1t3v s GLU 44 Ca 0.57 2.08 -0.18 0.00 0.01 0.00 0.00 54.97 57.45 1t3v s GLU 44 Cb -0.14 -1.89 0.04 0.00 -4.31 0.00 0.00 34.13 27.83 1t3v s GLU 44 CO 0.19 -1.55 0.53 1.21 0.01 0.00 0.00 175.26 175.65 1t3v s ASN 45 N -1.35 6.22 0.00 -0.19 2.47 -0.69 -4.75 114.94 116.64 1t3v s ASN 45 Ca 0.81 -0.78 0.11 0.00 0.42 0.00 0.00 52.86 53.43 1t3v s ASN 45 Cb -0.38 -2.26 0.52 0.00 -1.45 0.00 0.00 41.25 37.69 1t3v s ASN 45 CO 0.40 -0.72 1.27 -0.81 -3.72 0.00 0.00 177.10 173.53 1t3v n PRO 46 N 5.85 0.11 -1.82 0.43 -0.04 -1.26 -1.89 135.00 136.38 1t3v n PRO 46 Ca -0.07 0.22 -0.17 0.00 -0.04 0.00 0.00 63.50 63.44 1t3v n PRO 46 Cb 0.46 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.35 4.30 0.20 1.53 4.77 -1.26 -4.78 117.00 120.41 1t3v n LEU 47 Ca 0.04 -4.47 0.05 0.00 -0.03 0.00 0.00 56.01 51.61 1t3v n LEU 47 Cb 0.10 -0.32 0.40 0.00 -2.33 0.00 0.00 43.42 41.27 1t3v n LEU 47 CO 0.09 1.91 0.74 0.00 -1.33 0.00 0.00 177.39 178.79 1t3v h ALA 48 N 1.99 1.22 -1.60 -1.18 0.00 -1.59 -3.38 119.26 114.72 1t3v h ALA 48 Ca 0.27 -0.31 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 1t3v h ALA 48 Cb 1.44 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.91 1t3v h ALA 48 CO 0.59 0.43 -0.70 -1.14 0.00 0.00 0.00 179.25 178.43 1t3v s GLN 49 N -3.98 0.98 0.00 0.00 0.74 -1.26 -4.74 119.66 111.41 1t3v s GLN 49 Ca -0.02 -1.47 0.00 0.00 0.05 0.00 0.00 55.36 53.92 1t3v s GLN 49 Cb 0.13 -0.64 0.00 0.00 1.10 0.00 0.00 33.01 33.60 1t3v s GLN 49 CO 0.69 -1.35 0.00 -3.47 -0.55 0.00 0.00 175.29 170.61 1t3v n ASP 50 N 2.98 0.00 0.11 6.67 -0.08 -1.26 -5.02 116.55 119.95 1t3v n ASP 50 Ca 0.22 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.62 1t3v n ASP 50 Cb 0.52 0.00 0.16 0.00 2.34 0.00 0.00 41.12 44.14 1t3v n ASP 50 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1t3v h HIS 51 N 0.00 0.00 0.00 -0.67 3.86 -1.96 -3.48 115.15 112.90 1t3v h HIS 51 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1t3v h HIS 51 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1t3v h HIS 51 CO 0.00 0.00 0.00 0.28 0.86 0.00 0.00 177.93 179.07 1t3v n VAL 52 N -2.46 0.00 -3.99 2.45 0.31 -1.26 -4.78 118.33 108.61 1t3v n VAL 52 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.26 1t3v n VAL 52 Cb 0.48 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.35 1t3v n VAL 52 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1t3v s HIS 53 N -0.29 0.40 0.00 3.52 3.76 -1.26 -4.62 115.29 116.79 1t3v s HIS 53 Ca 0.00 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.16 1t3v s HIS 53 Cb 0.00 0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.78 1t3v s HIS 53 CO 0.00 -0.90 0.00 0.41 -0.85 0.00 0.00 174.74 173.40 1t3v n GLY 54 N -0.34 2.01 0.10 -2.22 0.00 -1.26 -4.64 105.19 98.85 1t3v n GLY 54 Ca -0.03 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.37 1t3v n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v h ALA 55 N 0.00 0.57 -0.58 4.61 0.00 -1.97 -3.37 119.26 118.52 1t3v h ALA 55 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1t3v h ALA 55 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 1t3v h ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 1t3v h VAL 56 N 0.00 0.53 0.00 0.00 2.07 -1.91 -0.33 116.25 116.60 1t3v h VAL 56 Ca 0.00 -0.04 -0.17 0.00 0.82 0.00 0.00 66.70 67.31 1t3v h VAL 56 Cb 0.89 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1t3v h VAL 56 CO 0.00 0.02 -0.80 1.55 0.02 0.00 0.00 177.57 178.36 1t3v h PRO 57 N 0.12 0.00 -0.96 1.57 0.13 -1.97 -3.17 132.00 127.72 1t3v h PRO 57 Ca 0.30 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.53 1t3v h PRO 57 Cb 0.48 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.53 1t3v h PRO 57 CO -0.50 0.80 0.60 -0.97 -0.23 0.00 0.00 178.00 177.70 1t3v h ASN 58 N 0.00 0.90 0.00 1.44 -0.73 -1.26 0.19 115.58 116.12 1t3v h ASN 58 Ca -0.01 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1t3v h ASN 58 Cb 1.45 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.89 1t3v h ASN 58 CO 0.10 0.51 0.00 0.33 -0.37 0.00 0.00 177.43 178.00 1t3v n PHE 59 N -4.62 0.00 0.16 0.67 7.35 -0.56 -2.80 117.46 117.66 1t3v n PHE 59 Ca 0.17 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.96 1t3v n PHE 59 Cb 0.30 -0.41 0.55 0.00 0.35 0.00 0.00 39.48 40.26 1t3v n PHE 59 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1t3v n VAL 60 N -1.88 1.10 0.35 -2.13 0.24 -0.84 -0.34 118.33 114.83 1t3v n VAL 60 Ca 0.00 0.71 0.12 0.00 -2.04 0.00 0.00 64.34 63.13 1t3v n VAL 60 Cb 0.00 -1.71 0.24 0.00 -1.47 0.00 0.00 33.84 30.91 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 -0.65 -2.91 116.57 123.99 1t3v h LYS 61 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1t3v h LYS 61 Cb 0.01 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1t3v h LYS 61 CO 0.00 0.00 -0.51 1.05 -2.27 0.00 0.00 179.45 177.72 1t3v h GLU 62 N 0.00 0.00 -1.47 1.90 4.11 -0.51 -3.39 114.58 115.21 1t3v h GLU 62 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.18 1t3v h GLU 62 Cb 0.91 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.05 1t3v h GLU 62 CO 0.00 0.51 0.32 1.63 0.07 0.00 0.00 179.01 181.54 1t3v n LYS 63 N -3.62 1.61 -2.11 1.06 4.76 -1.10 -4.82 118.16 113.95 1t3v n LYS 63 Ca -0.00 -1.23 -0.08 0.00 -2.87 0.00 0.00 58.31 54.12 1t3v n LYS 63 Cb 0.59 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.28 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 0.41 -0.12 3.79 0.72 0.00 -1.26 -4.90 105.19 103.83 1t3v n GLY 64 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.22 2.02 0.00 4.61 0.00 -1.26 -4.62 121.76 120.29 1t3v s ALA 65 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1t3v s ALA 65 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1t3v s ALA 65 CO 0.00 -1.98 0.00 0.39 0.00 0.00 0.00 175.76 174.17 1t3v n GLU 66 N -3.59 0.89 -4.20 0.00 1.02 -0.99 -4.85 120.64 108.92 1t3v n GLU 66 Ca 0.07 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 1t3v n GLU 66 Cb 0.57 -0.45 -0.10 0.00 -0.02 0.00 0.00 31.44 31.44 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 -0.84 2.43 0.02 -4.62 2.96 0.47 -2.07 118.68 117.03 1t3v s LEU 67 Ca 0.00 -1.04 -0.00 0.00 -0.22 0.00 0.00 54.13 52.86 1t3v s LEU 67 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 46.19 46.55 1t3v s LEU 67 CO 0.00 -0.46 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.86 1t3v s VAL 68 N -3.57 0.10 -0.17 1.68 1.01 -0.49 -1.65 120.40 117.31 1t3v s VAL 68 Ca 0.15 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1t3v s VAL 68 Cb 0.05 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.24 1t3v s VAL 68 CO -0.02 -0.44 -0.00 -0.63 0.00 0.00 0.00 175.10 174.01 1t3v s ILE 69 N -1.29 0.75 0.22 2.22 1.01 0.28 -1.09 121.20 123.30 1t3v s ILE 69 Ca -0.14 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1t3v s ILE 69 Cb -0.09 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 1t3v s ILE 69 CO -0.01 -0.02 0.12 1.33 0.00 0.00 0.00 174.94 176.36 1t3v n VAL 70 N 4.98 0.00 0.00 2.92 0.24 -0.39 -4.30 118.33 121.79 1t3v n VAL 70 Ca -0.10 -1.40 0.00 0.00 -2.04 0.00 0.00 64.34 60.80 1t3v n VAL 70 Cb 0.48 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 1t3v n VAL 70 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1t3v n ARG 71 N -0.46 0.00 0.15 7.34 1.74 -1.26 -2.27 116.66 121.90 1t3v n ARG 71 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1t3v n ARG 71 Cb 0.35 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.84 1t3v n ARG 71 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1t3v h GLY 72 N 0.00 0.00 0.00 -0.13 0.00 -1.66 -3.34 103.07 97.93 1t3v h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t3v h GLY 72 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 176.54 181.05 1t3v n ILE 73 N -3.19 0.00 0.00 2.60 3.06 -1.05 -4.79 119.36 115.98 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 0.70 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.88 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 3.79 0.33 4.50 0.00 -1.26 -3.86 105.19 108.70 1t3v n GLY 74 Ca 0.00 -0.60 0.18 0.00 0.00 0.00 0.00 46.02 45.60 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 0.45 -0.57 1.61 1.12 -2.01 -0.61 114.38 114.37 1t3v h ARG 75 Ca 0.00 -0.03 0.05 0.00 -1.11 0.00 0.00 59.98 58.90 1t3v h ARG 75 Cb 0.00 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 29.82 1t3v h ARG 75 CO 0.00 0.30 0.38 -0.09 -3.11 0.00 0.00 179.97 177.45 1t3v h ARG 76 N 0.47 0.56 0.00 0.20 2.43 -2.00 -0.27 114.38 115.76 1t3v h ARG 76 Ca 0.65 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.73 1t3v h ARG 76 Cb 1.30 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1t3v h ARG 76 CO -0.53 0.37 -0.24 0.00 -1.51 0.00 0.00 179.97 178.07 1t3v h ALA 77 N 1.68 0.86 -0.50 2.80 0.00 -1.49 -2.88 119.26 119.73 1t3v h ALA 77 Ca 0.24 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1t3v h ALA 77 Cb 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1t3v h ALA 77 CO -0.07 0.30 0.16 0.82 0.00 0.00 0.00 179.25 180.46 1t3v h ILE 78 N 0.00 0.80 0.00 0.00 1.08 -1.03 -0.90 117.51 117.46 1t3v h ILE 78 Ca -0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1t3v h ILE 78 Cb 1.12 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1t3v h ILE 78 CO 0.03 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.55 1t3v n ALA 79 N -2.45 1.14 0.14 1.87 0.00 -1.02 -1.80 120.51 118.40 1t3v n ALA 79 Ca 0.05 0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 1t3v n ALA 79 Cb 0.22 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 1t3v n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3v h ALA 80 N 2.08 -0.42 -0.94 0.00 0.00 -1.21 -3.15 119.26 115.62 1t3v h ALA 80 Ca 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.89 1t3v h ALA 80 Cb 0.06 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 17.85 1t3v h ALA 80 CO 0.00 -0.45 -0.35 0.34 0.00 0.00 0.00 179.25 178.79 1t3v n PHE 81 N -5.06 0.07 0.34 0.00 7.35 -0.75 -0.86 117.46 118.54 1t3v n PHE 81 Ca -0.08 1.16 0.11 0.00 -0.76 0.00 0.00 57.45 57.88 1t3v n PHE 81 Cb 0.25 -0.88 0.47 0.00 0.35 0.00 0.00 39.48 39.67 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 -5.41 0.15 0.17 -4.13 1.02 -0.74 -0.24 120.64 111.47 1t3v n GLU 82 Ca 0.10 0.45 0.07 0.00 -0.02 0.00 0.00 57.16 57.77 1t3v n GLU 82 Cb 0.39 -1.83 0.09 0.00 -0.02 0.00 0.00 31.44 30.07 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 2.23 0.82 0.00 0.62 0.00 -0.95 -3.37 119.26 118.61 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 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1t3v h ALA 83 CO 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 179.25 179.55 1t3v n MET 84 N -3.13 2.09 -1.89 0.00 0.00 0.52 -5.00 117.12 109.71 1t3v n MET 84 Ca 0.03 -1.29 -0.21 0.00 0.00 0.00 0.00 57.70 56.23 1t3v n MET 84 Cb 0.63 -0.89 -0.06 0.00 0.00 0.00 0.00 33.22 32.91 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 -0.41 1.07 3.56 3.17 0.00 0.67 -4.91 105.19 108.34 1t3v n GLY 85 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.85 3.81 0.17 1.61 1.01 -0.64 -4.96 120.40 118.56 1t3v s VAL 86 Ca 0.00 -0.17 -0.32 0.00 0.00 0.00 0.00 61.98 61.49 1t3v s VAL 86 Cb 0.00 -4.97 -0.11 0.00 0.00 0.00 0.00 36.38 31.29 1t3v s VAL 86 CO 0.00 -1.89 1.77 -0.75 0.00 0.00 0.00 175.10 174.23 1t3v s LYS 87 N 5.38 4.13 -0.35 2.72 2.20 -0.88 -4.64 119.74 128.30 1t3v s LYS 87 Ca 0.41 2.61 -0.01 0.00 -0.36 0.00 0.00 55.97 58.62 1t3v s LYS 87 Cb -0.04 -3.29 0.09 0.00 -1.51 0.00 0.00 37.83 33.07 1t3v s LYS 87 CO 0.03 -0.79 0.09 0.54 -0.36 0.00 0.00 175.35 174.85 1t3v s VAL 88 N 1.84 2.89 0.03 4.02 0.11 -1.26 -1.40 120.40 126.63 1t3v s VAL 88 Ca 0.77 -1.90 -0.24 0.00 -2.93 0.00 0.00 61.98 57.69 1t3v s VAL 88 Cb -0.48 -2.90 -0.05 0.00 -1.53 0.00 0.00 36.38 31.41 1t3v s VAL 88 CO 0.34 -0.45 0.73 -0.63 -3.33 0.00 0.00 175.10 171.75 1t3v s ILE 89 N 1.12 4.78 0.53 7.04 1.01 -0.25 -4.72 121.20 130.71 1t3v s ILE 89 Ca 0.04 1.54 0.01 0.00 0.00 0.00 0.00 60.65 62.24 1t3v s ILE 89 Cb -0.21 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1t3v s ILE 89 CO -0.04 0.37 0.06 -0.54 0.00 0.00 0.00 174.94 174.79 1t3v s LYS 90 N -0.03 2.23 -1.08 2.79 1.02 -1.26 -1.26 119.74 122.15 1t3v s LYS 90 Ca 0.37 -2.38 0.00 0.00 0.02 0.00 0.00 55.97 53.97 1t3v s LYS 90 Cb -0.20 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 1t3v s LYS 90 CO 0.21 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 1t3v n GLY 91 N -1.37 1.13 3.68 -3.33 0.00 -0.96 -4.75 105.19 99.58 1t3v n GLY 91 Ca -0.18 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.38 1.06 -0.05 4.61 0.00 -1.03 -5.02 121.76 118.94 1t3v s ALA 92 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 1t3v s ALA 92 Cb 0.00 -2.94 0.11 0.00 0.00 0.00 0.00 23.12 20.29 1t3v s ALA 92 CO 0.00 -3.10 0.90 -1.54 0.00 0.00 0.00 175.76 172.02 1t3v s SER 93 N -3.96 -0.39 0.00 0.00 1.04 -1.26 -4.72 113.70 104.41 1t3v s SER 93 Ca 0.69 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1t3v s SER 93 Cb -0.11 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1t3v s SER 93 CO 0.56 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1t3v n GLY 94 N 0.11 -0.29 3.90 7.32 0.00 -1.26 -4.61 105.19 110.35 1t3v n GLY 94 Ca -0.10 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.39 1t3v n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t3v s THR 95 N 0.00 2.34 0.12 2.61 -4.23 -1.26 -2.04 115.64 113.18 1t3v s THR 95 Ca 0.00 0.08 -0.21 0.00 -1.18 0.00 0.00 61.69 60.38 1t3v s THR 95 Cb 0.00 -3.10 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 1t3v s THR 95 CO 0.00 -0.13 1.71 0.58 -0.54 0.00 0.00 174.62 176.24 1t3v h VAL 96 N -0.93 0.84 -0.44 2.29 2.07 -1.04 -0.76 116.25 118.29 1t3v h VAL 96 Ca -0.46 -0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.17 1t3v h VAL 96 Cb 1.31 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1t3v h VAL 96 CO 0.65 0.00 0.31 1.05 0.02 0.00 0.00 177.57 179.60 1t3v h GLU 97 N 0.00 0.08 0.12 1.57 4.11 -1.78 0.10 114.58 118.78 1t3v h GLU 97 Ca 0.08 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 1t3v h GLU 97 Cb 0.12 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1t3v h GLU 97 CO -0.16 0.05 -0.06 0.93 0.07 0.00 0.00 179.01 179.84 1t3v h GLU 98 N 0.08 -0.16 -0.68 1.06 5.08 -1.70 -3.17 114.58 115.10 1t3v h GLU 98 Ca 0.21 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.66 1t3v h GLU 98 Cb 0.71 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.93 1t3v h GLU 98 CO -0.02 -0.10 0.34 0.28 -1.00 0.00 0.00 179.01 178.51 1t3v h VAL 99 N -0.60 0.88 -0.07 3.13 2.07 -0.87 0.80 116.25 121.59 1t3v h VAL 99 Ca -0.02 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1t3v h VAL 99 Cb 0.12 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1t3v h VAL 99 CO 0.03 0.11 0.01 0.58 0.02 0.00 0.00 177.57 178.31 1t3v h VAL 100 N 0.60 0.96 -0.24 2.57 2.07 -1.16 -1.33 116.25 119.73 1t3v h VAL 100 Ca 0.33 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.76 1t3v h VAL 100 Cb 0.31 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1t3v h VAL 100 CO -0.24 0.01 -0.16 -1.13 0.02 0.00 0.00 177.57 176.07 1t3v h ASN 101 N 0.03 0.39 -0.35 0.57 -1.24 -1.11 -1.14 115.58 112.73 1t3v h ASN 101 Ca 0.03 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 1t3v h ASN 101 Cb 0.03 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1t3v h ASN 101 CO -0.05 0.58 0.22 1.56 -1.29 0.00 0.00 177.43 178.45 1t3v h GLN 102 N 0.38 0.48 0.17 6.67 4.20 -0.47 -0.33 115.11 126.20 1t3v h GLN 102 Ca 0.07 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1t3v h GLN 102 Cb 0.50 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1t3v h GLN 102 CO 0.03 0.36 -0.12 -0.92 -0.67 0.00 0.00 178.83 177.51 1t3v h TYR 103 N 0.46 -0.30 -0.40 2.96 3.20 -0.91 -1.84 116.97 120.13 1t3v h TYR 103 Ca 0.13 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.06 1t3v h TYR 103 Cb -0.00 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1t3v h TYR 103 CO -0.04 -0.18 0.28 -0.07 -1.64 0.00 0.00 178.16 176.50 1t3v h LEU 104 N -0.28 0.23 0.00 2.82 4.07 -1.04 0.14 115.31 121.24 1t3v h LEU 104 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1t3v h LEU 104 Cb 0.25 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1t3v h LEU 104 CO 0.00 0.15 0.00 -1.20 -1.08 0.00 0.00 178.44 176.31 1t3v n SER 105 N -4.47 0.00 0.00 -0.43 7.64 -0.15 -4.89 113.62 111.31 1t3v n SER 105 Ca 0.05 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1t3v n SER 105 Cb 0.29 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.78 0.49 0.14 0.23 0.00 0.48 -4.91 105.19 102.40 1t3v n GLY 106 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 1.08 0.38 -7.12 1.61 1.08 -1.52 -3.46 115.11 107.16 1t3v h GLN 107 Ca 0.00 -0.39 -0.48 0.00 -1.45 0.00 0.00 58.65 56.34 1t3v h GLN 107 Cb 0.10 0.10 0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1t3v h GLN 107 CO 0.00 1.05 0.38 -1.17 -0.95 0.00 0.00 178.83 178.14 1t3v s LEU 108 N -8.42 3.73 0.22 1.46 2.96 -1.23 -5.01 118.68 112.40 1t3v s LEU 108 Ca -0.14 1.85 -0.22 0.00 -0.22 0.00 0.00 54.13 55.40 1t3v s LEU 108 Cb 0.03 -4.55 0.04 0.00 0.50 0.00 0.00 46.19 42.22 1t3v s LEU 108 CO 0.81 -0.85 0.68 -0.75 -1.32 0.00 0.00 176.35 174.91 1t3v s LYS 109 N -3.56 1.56 -0.29 1.98 2.47 -1.26 -4.89 119.74 115.74 1t3v s LYS 109 Ca 0.65 -0.76 0.11 0.00 -1.56 0.00 0.00 55.97 54.41 1t3v s LYS 109 Cb -0.15 0.59 0.64 0.00 -1.46 0.00 0.00 37.83 37.45 1t3v s LYS 109 CO 0.26 -0.70 1.65 -0.40 0.16 0.00 0.00 175.35 176.31 1t3v n ASP 110 N -0.42 4.03 -1.80 1.43 5.75 -1.26 -4.01 116.55 120.25 1t3v n ASP 110 Ca -0.09 -3.32 -0.06 0.00 -0.01 0.00 0.00 54.79 51.30 1t3v n ASP 110 Cb 0.62 -0.68 -0.09 0.00 -1.03 0.00 0.00 41.12 39.94 1t3v n ASP 110 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1t3v n SER 111 N -0.52 5.01 -3.22 -1.12 7.64 -1.26 -4.38 113.62 115.77 1t3v n SER 111 Ca 0.36 -2.39 -0.23 0.00 1.01 0.00 0.00 58.87 57.62 1t3v n SER 111 Cb 1.21 -1.22 -0.07 0.00 -1.01 0.00 0.00 64.21 63.12 1t3v n SER 111 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1t3v n ASP 112 N 2.08 -0.41 -3.15 6.43 8.00 -1.26 -5.02 116.55 123.22 1t3v n ASP 112 Ca 0.22 -2.61 0.04 0.00 0.71 0.00 0.00 54.79 53.15 1t3v n ASP 112 Cb 0.69 -0.36 -0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1t3v n ASP 112 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1t3v s TYR 113 N -0.51 -1.65 0.18 1.24 6.14 -1.26 -5.05 117.35 116.43 1t3v s TYR 113 Ca 0.34 0.96 -0.21 0.00 0.64 0.00 0.00 57.07 58.79 1t3v s TYR 113 Cb 0.12 0.28 0.05 0.00 0.42 0.00 0.00 41.96 42.83 1t3v s TYR 113 CO -0.15 -0.97 0.58 -2.00 0.64 0.00 0.00 175.55 173.66 1t3v s GLU 114 N 2.84 1.35 0.00 4.97 2.12 -1.26 -5.02 118.70 123.69 1t3v s GLU 114 Ca 0.13 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1t3v s GLU 114 Cb -0.09 0.57 0.00 0.00 0.26 0.00 0.00 34.13 34.87 1t3v s GLU 114 CO -0.25 -0.59 0.00 1.33 -0.54 0.00 0.00 175.26 175.21 1t3v n VAL 115 N -0.37 0.00 0.24 3.70 0.24 -1.26 -4.82 118.33 116.07 1t3v n VAL 115 Ca -0.14 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.06 1t3v n VAL 115 Cb 0.64 -0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 32.74 1t3v n VAL 115 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1t3v h HIS 116 N 0.00 -0.58 -1.70 6.34 3.86 -2.03 -3.47 115.15 117.58 1t3v h HIS 116 Ca 0.00 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1t3v h HIS 116 Cb 0.15 0.19 -0.25 0.00 1.06 0.00 0.00 27.41 28.57 1t3v h HIS 116 CO 0.10 -0.36 0.38 0.34 0.86 0.00 0.00 177.93 179.25 1t3v s ASP 117 N -3.16 -0.52 -0.28 2.45 -1.08 -1.26 -5.13 116.67 107.69 1t3v s ASP 117 Ca -0.09 0.96 -0.04 0.00 -0.52 0.00 0.00 52.55 52.85 1t3v s ASP 117 Cb 0.01 0.96 0.02 0.00 -1.46 0.00 0.00 42.92 42.45 1t3v s ASP 117 CO 0.27 -0.20 0.02 -2.28 0.52 0.00 0.00 175.17 173.50 1t3v s HIS 118 N 0.12 3.14 -0.01 -5.34 5.65 -1.26 -5.09 115.29 112.50 1t3v s HIS 118 Ca 0.02 -1.32 -0.18 0.00 0.25 0.00 0.00 55.06 53.82 1t3v s HIS 118 Cb -0.05 -2.17 0.03 0.00 -1.18 0.00 0.00 32.58 29.22 1t3v s HIS 118 CO -0.04 -0.67 0.40 -1.58 -0.65 0.00 0.00 174.74 172.20 1t3v s HIS 119 N 1.40 -0.28 0.33 3.88 5.04 -1.26 -5.19 115.29 119.21 1t3v s HIS 119 Ca 0.01 0.41 -0.12 0.00 -1.54 0.00 0.00 55.06 53.82 1t3v s HIS 119 Cb -0.17 0.18 0.02 0.00 0.04 0.00 0.00 32.58 32.64 1t3v s HIS 119 CO -0.00 -0.47 0.61 -1.58 -2.34 0.00 0.00 174.74 170.96 1t3v s HIS 120 N -1.55 0.42 0.52 3.88 2.46 -1.26 -5.15 115.29 114.61 1t3v s HIS 120 Ca -0.11 -0.86 0.00 0.00 0.47 0.00 0.00 55.06 54.55 1t3v s HIS 120 Cb -0.03 0.39 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 1t3v s HIS 120 CO 0.04 -1.27 0.00 0.72 -2.47 0.00 0.00 174.74 171.76 1t3v n HIS 121 N -0.50 -3.42 -4.17 3.88 8.25 -1.26 -5.09 115.22 112.91 1t3v n HIS 121 Ca -0.03 1.86 -0.09 0.00 -0.26 0.00 0.00 57.72 59.19 1t3v n HIS 121 Cb 0.61 -3.12 -0.03 0.00 1.12 0.00 0.00 29.99 28.57 1t3v n HIS 121 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1t3v n GLU 122 N -4.10 0.59 -2.75 -0.41 -0.00 -1.26 -5.13 120.64 107.58 1t3v n GLU 122 Ca -0.07 -1.36 -0.10 0.00 -0.00 0.00 0.00 57.16 55.63 1t3v n GLU 122 Cb 0.61 0.86 0.06 0.00 -0.00 0.00 0.00 31.44 32.96 1t3v n GLU 122 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1t3v n HIS 123 N -0.33 -0.46 -0.20 -1.84 -0.00 -1.26 -5.35 115.22 105.77 1t3v n HIS 123 Ca -0.01 -2.59 0.00 0.00 0.46 0.00 0.00 57.72 55.59 1t3v n HIS 123 Cb 0.24 0.42 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 0.46 0.00 0.00 176.34 178.38