#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 0.12 -0.26 1.12 1.01 -1.26 -2.00 121.20 119.93 1t3v s ILE 2 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 1t3v s ILE 2 Cb 0.00 -0.14 0.08 0.00 0.01 0.00 0.00 42.46 42.41 1t3v s ILE 2 CO 0.00 -0.08 0.07 -0.63 0.00 0.00 0.00 174.94 174.30 1t3v s ILE 3 N -0.33 0.73 0.28 2.92 1.01 0.73 -0.52 121.20 126.03 1t3v s ILE 3 Ca -0.03 -1.04 -0.28 0.00 0.00 0.00 0.00 60.65 59.30 1t3v s ILE 3 Cb -0.03 -1.40 -0.09 0.00 0.01 0.00 0.00 42.46 40.95 1t3v s ILE 3 CO -0.00 -0.47 0.94 0.00 0.00 0.00 0.00 174.94 175.41 1t3v s ALA 4 N 1.72 3.27 -0.13 9.38 0.00 -0.54 -0.73 121.76 134.73 1t3v s ALA 4 Ca 0.05 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.55 1t3v s ALA 4 Cb -0.17 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1t3v s ALA 4 CO -0.18 0.19 0.02 0.42 0.00 0.00 0.00 175.76 176.21 1t3v s ILE 5 N -1.41 0.42 -0.17 0.00 1.01 0.28 -0.23 121.20 121.10 1t3v s ILE 5 Ca 0.46 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 1t3v s ILE 5 Cb -0.22 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 1t3v s ILE 5 CO 0.28 0.03 1.61 -2.16 0.00 0.00 0.00 174.94 174.70 1t3v s PRO 6 N 1.93 3.93 0.14 2.79 0.04 -1.26 -0.79 135.00 141.79 1t3v s PRO 6 Ca 0.02 1.83 0.08 0.00 0.04 0.00 0.00 61.00 62.97 1t3v s PRO 6 Cb -0.15 -4.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1t3v s PRO 6 CO -0.07 -1.13 -0.11 0.14 0.04 0.00 0.00 177.00 175.87 1t3v s VAL 7 N 4.78 3.18 0.00 -0.36 -7.23 -0.74 -0.49 120.40 119.54 1t3v s VAL 7 Ca 0.71 -1.51 0.15 0.00 -1.81 0.00 0.00 61.98 59.52 1t3v s VAL 7 Cb -0.27 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.17 1t3v s VAL 7 CO 0.28 -0.00 1.51 0.28 -0.31 0.00 0.00 175.10 176.86 1t3v h SER 8 N 3.28 0.00 -5.00 4.85 0.02 -1.50 -3.08 113.55 112.12 1t3v h SER 8 Ca -0.48 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.33 1t3v h SER 8 Cb 1.19 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.53 1t3v h SER 8 CO 0.52 0.55 -0.47 -1.61 -1.14 0.00 0.00 176.83 174.68 1t3v s GLU 9 N -3.14 0.53 -1.41 3.45 2.02 -1.26 -4.75 118.70 114.14 1t3v s GLU 9 Ca 0.02 -0.45 -0.09 0.00 0.02 0.00 0.00 54.97 54.47 1t3v s GLU 9 Cb 0.09 0.22 0.07 0.00 0.10 0.00 0.00 34.13 34.61 1t3v s GLU 9 CO 0.74 -0.13 2.34 -1.71 0.02 0.00 0.00 175.26 176.52 1t3v n ASN 10 N 1.29 6.59 -2.09 -0.19 2.85 -1.26 -4.53 115.26 117.92 1t3v n ASN 10 Ca -0.22 -2.95 -0.27 0.00 -0.11 0.00 0.00 54.58 51.03 1t3v n ASN 10 Cb 0.56 -1.49 0.06 0.00 1.24 0.00 0.00 39.78 40.14 1t3v n ASN 10 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1t3v n ARG 11 N 3.57 3.11 0.00 1.20 1.74 -1.26 -5.00 116.66 120.01 1t3v n ARG 11 Ca 0.58 -3.74 0.00 0.00 -0.77 0.00 0.00 57.85 53.92 1t3v n ARG 11 Cb 0.30 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 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 -0.83 1.46 0.21 -0.13 0.00 -1.26 0.05 105.19 104.69 1t3v n GLY 12 Ca 0.51 0.58 0.11 0.00 0.00 0.00 0.00 46.02 47.23 1t3v n GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1t3v h LYS 13 N 0.00 0.00 -0.00 1.61 2.10 -1.98 -3.18 116.57 115.11 1t3v h LYS 13 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1t3v h LYS 13 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1t3v h LYS 13 CO 0.00 0.05 -0.26 -0.25 -2.00 0.00 0.00 179.45 176.99 1t3v n ASP 14 N -3.11 0.63 -4.70 7.07 8.00 0.11 -2.85 116.55 121.69 1t3v n ASP 14 Ca 0.04 -0.49 -0.53 0.00 0.71 0.00 0.00 54.79 54.52 1t3v n ASP 14 Cb 0.54 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.64 1t3v n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1t3v n SER 15 N -1.06 2.95 -4.74 -2.24 7.64 -0.82 -4.70 113.62 110.65 1t3v n SER 15 Ca 0.10 1.02 -0.41 0.00 1.01 0.00 0.00 58.87 60.59 1t3v n SER 15 Cb 0.32 -1.26 -0.04 0.00 -1.01 0.00 0.00 64.21 62.23 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 3.88 4.55 0.36 1.43 0.04 -1.26 -1.15 135.00 142.85 1t3v s PRO 16 Ca 0.96 1.78 -0.28 0.00 0.04 0.00 0.00 61.00 63.49 1t3v s PRO 16 Cb -0.87 -3.27 -0.11 0.00 0.04 0.00 0.00 34.50 30.29 1t3v s PRO 16 CO 0.59 -0.00 1.45 -1.50 0.04 0.00 0.00 177.00 177.58 1t3v s ILE 17 N -0.12 2.21 0.72 0.56 2.07 -0.51 -1.45 121.20 124.68 1t3v s ILE 17 Ca 0.51 0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 59.95 1t3v s ILE 17 Cb -0.31 -3.13 0.12 0.00 0.13 0.00 0.00 42.46 39.27 1t3v s ILE 17 CO 0.35 0.05 0.99 -0.55 -1.91 0.00 0.00 174.94 173.87 1t3v s SER 18 N -0.16 4.37 -0.21 4.50 0.15 0.35 -4.59 113.70 118.11 1t3v s SER 18 Ca 0.53 -0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.83 1t3v s SER 18 Cb -0.45 -0.11 -0.19 0.00 -1.71 0.00 0.00 66.02 63.56 1t3v s SER 18 CO 0.59 -1.84 -0.02 -0.62 1.20 0.00 0.00 173.24 172.55 1t3v n GLU 19 N -2.84 0.67 -3.05 5.44 1.02 -1.26 -4.09 120.64 116.53 1t3v n GLU 19 Ca 0.14 0.24 -0.20 0.00 -0.02 0.00 0.00 57.16 57.32 1t3v n GLU 19 Cb 0.60 -1.60 0.06 0.00 -0.02 0.00 0.00 31.44 30.49 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 -2.52 1.42 0.00 -0.32 3.76 -1.26 -1.37 115.29 115.01 1t3v s HIS 20 Ca -0.31 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 53.88 1t3v s HIS 20 Cb 0.09 -2.20 0.00 0.00 1.11 0.00 0.00 32.58 31.57 1t3v s HIS 20 CO 0.64 -1.14 0.00 0.34 -0.85 0.00 0.00 174.74 173.73 1t3v n PHE 21 N -2.23 0.00 0.15 1.40 -0.00 -1.26 -4.57 117.46 110.95 1t3v n PHE 21 Ca 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.66 1t3v n PHE 21 Cb 0.62 0.01 0.28 0.00 -0.00 0.00 0.00 39.48 40.38 1t3v n PHE 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1t3v n GLY 22 N 3.10 -0.75 2.45 7.13 0.00 -1.26 -1.18 105.19 114.67 1t3v n GLY 22 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 1t3v n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1t3v n ARG 23 N -1.82 2.10 -2.45 1.61 0.00 -1.26 -4.80 116.66 110.03 1t3v n ARG 23 Ca 0.00 -3.57 -0.42 0.00 -0.00 0.00 0.00 57.85 53.87 1t3v n ARG 23 Cb 0.05 -1.67 -0.03 0.00 -0.00 0.00 0.00 32.46 30.81 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 -3.45 3.37 0.09 2.89 0.00 -0.33 -4.89 121.76 119.44 1t3v s ALA 24 Ca 0.34 0.82 0.24 0.00 0.00 0.00 0.00 51.96 53.36 1t3v s ALA 24 Cb 0.35 -3.43 0.87 0.00 0.00 0.00 0.00 23.12 20.91 1t3v s ALA 24 CO -0.03 -0.41 1.80 -1.00 0.00 0.00 0.00 175.76 176.12 1t3v h PRO 25 N 6.75 0.00 -3.57 0.00 0.13 -1.86 -3.40 132.00 130.05 1t3v h PRO 25 Ca -0.42 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 1t3v h PRO 25 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 1t3v h PRO 25 CO 0.80 0.22 -0.44 0.71 -0.23 0.00 0.00 178.00 179.07 1t3v s TYR 26 N -3.59 0.07 -0.23 1.56 2.02 -1.16 -0.94 117.35 115.08 1t3v s TYR 26 Ca 0.01 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1t3v s TYR 26 Cb 0.10 -0.05 0.06 0.00 -0.40 0.00 0.00 41.96 41.67 1t3v s TYR 26 CO 0.64 -0.38 -0.05 -0.06 -1.57 0.00 0.00 175.55 174.13 1t3v s PHE 27 N -2.22 2.26 -1.02 2.71 0.08 -0.72 -1.80 117.98 117.26 1t3v s PHE 27 Ca -0.08 -1.65 -0.23 0.00 0.12 0.00 0.00 56.93 55.09 1t3v s PHE 27 Cb -0.03 -1.53 0.05 0.00 -0.57 0.00 0.00 43.02 40.94 1t3v s PHE 27 CO -0.02 -0.76 1.46 0.00 -0.10 0.00 0.00 175.22 175.81 1t3v s ALA 28 N 1.44 2.71 -0.92 5.36 0.00 0.03 -2.65 121.76 127.73 1t3v s ALA 28 Ca -0.05 -2.26 -0.23 0.00 0.00 0.00 0.00 51.96 49.41 1t3v s ALA 28 Cb -0.19 -4.53 0.06 0.00 0.00 0.00 0.00 23.12 18.46 1t3v s ALA 28 CO -0.06 -3.63 1.34 -0.06 0.00 0.00 0.00 175.76 173.34 1t3v s PHE 29 N 5.04 2.55 0.50 0.00 0.08 0.24 -0.56 117.98 125.84 1t3v s PHE 29 Ca 0.47 -0.70 -0.17 0.00 0.12 0.00 0.00 56.93 56.64 1t3v s PHE 29 Cb -0.00 -4.60 -0.08 0.00 -0.57 0.00 0.00 43.02 37.76 1t3v s PHE 29 CO -0.09 -1.90 0.98 0.08 -0.10 0.00 0.00 175.22 174.19 1t3v s VAL 30 N 4.81 4.48 0.00 -0.44 1.01 0.09 -1.28 120.40 129.07 1t3v s VAL 30 Ca 0.40 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1t3v s VAL 30 Cb -0.04 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1t3v s VAL 30 CO -0.03 -0.62 0.00 0.29 0.00 0.00 0.00 175.10 174.74 1t3v n LYS 31 N -1.45 1.50 -3.85 2.72 5.02 -0.19 -0.20 118.16 121.72 1t3v n LYS 31 Ca 0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 1t3v n LYS 31 Cb 0.54 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.41 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 0.89 -0.01 -0.52 -0.18 1.01 -0.85 -4.46 120.40 116.28 1t3v s VAL 32 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 1t3v s VAL 32 Cb 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 36.38 36.48 1t3v s VAL 32 CO 0.00 0.01 0.36 -0.75 0.00 0.00 0.00 175.10 174.72 1t3v s LYS 33 N 0.15 2.42 0.00 2.72 2.36 0.76 -4.59 119.74 123.55 1t3v s LYS 33 Ca -0.01 -2.07 0.00 0.00 -2.55 0.00 0.00 55.97 51.34 1t3v s LYS 33 Cb -0.02 -3.79 0.00 0.00 -1.05 0.00 0.00 37.83 32.97 1t3v s LYS 33 CO -0.00 -1.16 0.00 -1.71 1.55 0.00 0.00 175.35 174.03 1t3v n ASN 34 N 4.31 0.00 0.00 1.43 5.15 -1.26 -1.47 115.26 123.42 1t3v n ASN 34 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1t3v n ASN 34 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 1t3v n ASN 34 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1t3v n ASN 35 N 1.66 0.00 -4.89 1.20 6.94 -1.26 -5.15 115.26 113.76 1t3v n ASN 35 Ca 0.00 -0.50 -0.27 0.00 -0.02 0.00 0.00 54.58 53.79 1t3v n ASN 35 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t3v s ALA 36 N 0.00 4.38 0.03 -2.53 0.00 -0.54 -5.04 121.76 118.06 1t3v s ALA 36 Ca 0.00 -1.20 0.32 0.00 0.00 0.00 0.00 51.96 51.09 1t3v s ALA 36 Cb 0.00 -0.65 1.39 0.00 0.00 0.00 0.00 23.12 23.86 1t3v s ALA 36 CO 0.00 -0.40 1.96 0.82 0.00 0.00 0.00 175.76 178.15 1t3v h ILE 37 N 0.83 0.00 0.00 0.00 5.03 -1.83 0.22 117.51 121.75 1t3v h ILE 37 Ca -0.38 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 63.98 1t3v h ILE 37 Cb 1.30 1.32 0.00 0.00 -3.03 0.00 0.00 36.82 36.41 1t3v h ILE 37 CO 0.59 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 178.06 1t3v n ALA 38 N -2.02 0.00 -3.30 1.87 0.00 -1.26 -3.07 120.51 112.73 1t3v n ALA 38 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1t3v n ALA 38 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 1t3v n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1t3v s ASP 39 N -3.66 -0.16 0.29 0.00 -1.08 -1.26 -4.93 116.67 105.86 1t3v s ASP 39 Ca 0.00 -0.73 0.06 0.00 -0.52 0.00 0.00 52.55 51.36 1t3v s ASP 39 Cb 0.00 0.60 -0.02 0.00 -1.46 0.00 0.00 42.92 42.04 1t3v s ASP 39 CO 0.00 -1.13 0.40 -0.63 0.52 0.00 0.00 175.17 174.33 1t3v s ILE 40 N -3.95 4.64 -0.42 4.11 -1.09 -1.26 -1.02 121.20 122.21 1t3v s ILE 40 Ca 0.16 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 57.60 1t3v s ILE 40 Cb -0.01 -3.62 0.17 0.00 -1.58 0.00 0.00 42.46 37.42 1t3v s ILE 40 CO 0.04 -0.25 0.45 -0.44 -1.23 0.00 0.00 174.94 173.52 1t3v s SER 41 N -4.06 0.57 -1.04 3.58 0.01 -0.40 -4.87 113.70 107.48 1t3v s SER 41 Ca 0.39 -2.07 -0.13 0.00 1.31 0.00 0.00 55.95 55.45 1t3v s SER 41 Cb -0.09 0.60 0.21 0.00 0.21 0.00 0.00 66.02 66.95 1t3v s SER 41 CO 0.30 -0.18 1.13 -0.69 0.41 0.00 0.00 173.24 174.20 1t3v s VAL 42 N 0.88 5.43 0.34 3.43 1.01 -1.26 -0.59 120.40 129.63 1t3v s VAL 42 Ca 0.25 -2.68 -0.01 0.00 0.00 0.00 0.00 61.98 59.54 1t3v s VAL 42 Cb -0.06 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 1t3v s VAL 42 CO -0.08 -1.33 0.56 -1.61 0.00 0.00 0.00 175.10 172.64 1t3v s GLU 43 N 0.52 3.53 0.35 2.72 0.41 -1.09 -4.90 118.70 120.25 1t3v s GLU 43 Ca 0.32 -0.20 -0.25 0.00 -0.41 0.00 0.00 54.97 54.42 1t3v s GLU 43 Cb -0.07 -2.64 -0.10 0.00 -1.78 0.00 0.00 34.13 29.54 1t3v s GLU 43 CO -0.06 0.15 0.97 -1.21 -0.49 0.00 0.00 175.26 174.61 1t3v s GLU 44 N -4.10 4.45 -0.49 1.61 2.02 -1.26 -1.76 118.70 119.16 1t3v s GLU 44 Ca 0.41 1.34 -0.26 0.00 0.02 0.00 0.00 54.97 56.49 1t3v s GLU 44 Cb -0.10 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.50 1t3v s GLU 44 CO 0.35 0.15 0.97 1.21 0.02 0.00 0.00 175.26 177.95 1t3v s ASN 45 N -1.68 6.47 0.46 -0.19 2.47 -0.12 -4.80 114.94 117.55 1t3v s ASN 45 Ca 0.53 0.04 0.31 0.00 0.42 0.00 0.00 52.86 54.17 1t3v s ASN 45 Cb -0.18 -2.46 1.58 0.00 -1.45 0.00 0.00 41.25 38.74 1t3v s ASN 45 CO 0.23 -1.14 1.95 1.55 -3.72 0.00 0.00 177.10 175.97 1t3v h PRO 46 N 9.18 0.00 -0.65 0.43 0.14 -1.93 -2.85 132.00 136.32 1t3v h PRO 46 Ca -0.24 0.00 -0.48 0.00 0.14 0.00 0.00 66.00 65.42 1t3v h PRO 46 Cb 1.07 0.00 -0.38 0.00 0.14 0.00 0.00 31.00 31.84 1t3v h PRO 46 CO 1.06 0.00 -0.78 1.28 0.14 0.00 0.00 178.00 179.70 1t3v n LEU 47 N -2.65 4.62 0.27 1.56 7.99 -1.26 -4.69 117.00 122.85 1t3v n LEU 47 Ca -0.01 -4.63 0.16 0.00 -0.01 0.00 0.00 56.01 51.52 1t3v n LEU 47 Cb 0.12 -0.36 0.74 0.00 -0.11 0.00 0.00 43.42 43.81 1t3v n LEU 47 CO 0.17 2.01 0.98 0.00 -1.51 0.00 0.00 177.39 179.05 1t3v h ALA 48 N 2.04 1.07 0.00 -1.18 0.00 -1.72 -3.32 119.26 116.15 1t3v h ALA 48 Ca 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1t3v h ALA 48 Cb 1.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1t3v h ALA 48 CO 0.66 0.09 0.00 0.00 0.00 0.00 0.00 179.25 180.00 1t3v n GLN 49 N -3.28 0.00 -2.05 0.00 10.64 -1.26 -4.34 117.38 117.09 1t3v n GLN 49 Ca -0.01 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.90 1t3v n GLN 49 Cb 0.28 -0.12 -0.05 0.00 -0.86 0.00 0.00 30.24 29.48 1t3v n GLN 49 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1t3v s ASP 50 N 0.00 5.13 -0.31 2.61 2.15 -1.25 -3.31 116.67 121.69 1t3v s ASP 50 Ca 0.00 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.25 1t3v s ASP 50 Cb 0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1t3v s ASP 50 CO 0.00 -2.77 0.00 1.41 -0.17 0.00 0.00 175.17 173.64 1t3v n HIS 51 N 14.03 -1.79 -3.96 -5.34 8.25 -1.26 -1.85 115.22 123.29 1t3v n HIS 51 Ca 0.40 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.56 1t3v n HIS 51 Cb 0.47 -1.51 -0.07 0.00 1.12 0.00 0.00 29.99 29.99 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 -2.71 -0.39 -0.93 1.59 0.31 -1.21 -4.93 118.33 110.06 1t3v n VAL 52 Ca -0.04 -0.19 -0.31 0.00 -0.01 0.00 0.00 64.34 63.79 1t3v n VAL 52 Cb 0.52 -0.60 0.14 0.00 -0.91 0.00 0.00 33.84 32.99 1t3v n VAL 52 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1t3v s HIS 53 N -3.44 2.02 0.00 3.52 5.04 -0.77 -4.87 115.29 116.78 1t3v s HIS 53 Ca 0.35 1.68 0.00 0.00 -1.54 0.00 0.00 55.06 55.55 1t3v s HIS 53 Cb -0.21 -3.22 0.00 0.00 0.04 0.00 0.00 32.58 29.20 1t3v s HIS 53 CO 0.82 -2.41 0.75 0.41 -2.34 0.00 0.00 174.74 171.96 1t3v n GLY 54 N -0.39 1.47 0.06 1.59 0.00 -1.26 -3.95 105.19 102.72 1t3v n GLY 54 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 0.66 2.80 -0.09 4.61 0.00 -1.26 -4.02 120.51 123.21 1t3v n ALA 55 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 1t3v n ALA 55 Cb 0.37 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 0.18 0.00 0.00 2.07 -1.85 -0.69 116.25 115.95 1t3v h VAL 56 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1t3v h VAL 56 Cb 0.95 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1t3v h VAL 56 CO 0.00 0.00 -0.08 1.55 0.02 0.00 0.00 177.57 179.06 1t3v h PRO 57 N -0.33 0.00 -0.35 1.57 0.13 -1.92 -3.06 132.00 128.05 1t3v h PRO 57 Ca 0.14 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.22 1t3v h PRO 57 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1t3v h PRO 57 CO -0.51 0.08 0.03 -0.97 -0.23 0.00 0.00 178.00 176.40 1t3v h ASN 58 N 0.00 0.57 0.18 1.44 -0.73 -1.37 -1.68 115.58 114.00 1t3v h ASN 58 Ca -0.00 -0.28 -0.01 0.00 1.87 0.00 0.00 56.30 57.88 1t3v h ASN 58 Cb 0.94 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.37 1t3v h ASN 58 CO 0.01 0.71 -0.16 0.15 -0.37 0.00 0.00 177.43 177.78 1t3v h PHE 59 N 0.41 -0.43 0.00 0.67 3.57 -1.18 -3.28 116.94 116.70 1t3v h PHE 59 Ca 0.10 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1t3v h PHE 59 Cb 0.40 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1t3v h PHE 59 CO 0.03 -0.22 -0.05 -0.39 -2.23 0.00 0.00 178.31 175.46 1t3v h VAL 60 N -0.33 0.29 0.00 1.41 -1.51 -1.49 0.81 116.25 115.42 1t3v h VAL 60 Ca -0.02 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1t3v h VAL 60 Cb 0.28 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1t3v h VAL 60 CO -0.01 0.05 0.00 1.17 -1.23 0.00 0.00 177.57 177.55 1t3v n LYS 61 N -3.40 0.45 0.02 5.19 4.81 -0.64 -1.21 118.16 123.39 1t3v n LYS 61 Ca -0.02 0.02 0.11 0.00 -0.87 0.00 0.00 58.31 57.56 1t3v n LYS 61 Cb 0.18 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 33.62 1t3v n LYS 61 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1t3v n GLU 62 N -1.05 0.59 -0.58 1.64 -0.00 0.28 -4.61 120.64 116.90 1t3v n GLU 62 Ca 0.11 -0.10 -0.07 0.00 -0.00 0.00 0.00 57.16 57.10 1t3v n GLU 62 Cb 0.07 -1.60 0.02 0.00 -0.00 0.00 0.00 31.44 29.93 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 -2.30 1.36 -3.27 3.44 4.76 -0.35 -4.83 118.16 116.98 1t3v n LYS 63 Ca -0.02 -0.74 -0.17 0.00 -2.87 0.00 0.00 58.31 54.50 1t3v n LYS 63 Cb 0.54 -1.29 -0.03 0.00 -1.84 0.00 0.00 35.03 32.42 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 0.72 -0.47 3.67 0.72 0.00 -1.26 -4.89 105.19 103.68 1t3v n GLY 64 Ca 0.14 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.54 1.09 0.00 4.61 0.00 -1.26 -4.71 121.76 118.94 1t3v s ALA 65 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1t3v s ALA 65 Cb -0.19 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1t3v s ALA 65 CO 0.40 -2.72 0.00 0.39 0.00 0.00 0.00 175.76 173.82 1t3v n GLU 66 N -4.13 0.00 -4.28 0.00 1.02 -1.09 -4.89 120.64 107.27 1t3v n GLU 66 Ca 0.06 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.01 1t3v n GLU 66 Cb 0.56 -0.49 -0.11 0.00 -0.02 0.00 0.00 31.44 31.38 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 -3.22 2.45 0.01 -4.62 2.96 0.33 -0.83 118.68 115.76 1t3v s LEU 67 Ca 0.00 -0.88 0.01 0.00 -0.22 0.00 0.00 54.13 53.04 1t3v s LEU 67 Cb 0.00 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 46.06 1t3v s LEU 67 CO 0.00 -0.14 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.17 1t3v s VAL 68 N -2.38 0.18 -0.15 1.68 1.01 -0.18 -1.47 120.40 119.10 1t3v s VAL 68 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1t3v s VAL 68 Cb -0.04 -0.20 0.05 0.00 0.00 0.00 0.00 36.38 36.19 1t3v s VAL 68 CO 0.04 -0.10 0.02 -0.63 0.00 0.00 0.00 175.10 174.43 1t3v s ILE 69 N -0.44 0.51 0.30 2.22 1.01 0.68 -0.56 121.20 124.91 1t3v s ILE 69 Ca -0.03 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.33 1t3v s ILE 69 Cb -0.03 -0.86 -0.06 0.00 0.01 0.00 0.00 42.46 41.52 1t3v s ILE 69 CO -0.00 -0.01 0.08 0.68 0.00 0.00 0.00 174.94 175.69 1t3v s VAL 70 N 1.89 0.86 -0.11 2.92 -7.23 -0.67 -4.16 120.40 113.90 1t3v s VAL 70 Ca 0.01 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1t3v s VAL 70 Cb -0.15 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 1t3v s VAL 70 CO -0.07 0.00 -0.07 -0.09 -0.31 0.00 0.00 175.10 174.56 1t3v h ARG 71 N 2.23 0.00 0.00 4.82 9.65 -1.74 -1.19 114.38 128.15 1t3v h ARG 71 Ca -0.39 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1t3v h ARG 71 Cb 1.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1t3v h ARG 71 CO 0.65 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.83 1t3v n GLY 72 N 1.73 0.11 4.14 2.80 0.00 -0.47 -1.59 105.19 111.91 1t3v n GLY 72 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 0.00 -0.61 3.06 -1.23 -4.92 119.36 115.66 1t3v n ILE 73 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1t3v n ILE 73 Cb 0.36 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.54 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 3.53 0.29 4.50 0.00 -1.26 -4.35 105.19 107.90 1t3v n GLY 74 Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 0.26 -0.02 1.61 9.65 -2.00 -1.11 114.38 122.76 1t3v h ARG 75 Ca 0.00 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 1t3v h ARG 75 Cb 0.00 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1t3v h ARG 75 CO 0.00 0.17 -0.25 -0.09 2.80 0.00 0.00 179.97 182.60 1t3v h ARG 76 N 0.26 0.04 0.00 0.20 2.43 -1.99 -2.03 114.38 113.28 1t3v h ARG 76 Ca 0.09 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1t3v h ARG 76 Cb 0.04 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1t3v h ARG 76 CO -0.02 0.29 -0.99 0.00 -1.51 0.00 0.00 179.97 177.75 1t3v h ALA 77 N 1.71 0.63 -0.83 2.80 0.00 -1.61 -2.97 119.26 119.00 1t3v h ALA 77 Ca 0.00 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 54.65 1t3v h ALA 77 Cb 0.47 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1t3v h ALA 77 CO 0.03 0.43 0.44 0.82 0.00 0.00 0.00 179.25 180.98 1t3v h ILE 78 N 0.00 0.81 0.00 0.00 5.03 -1.21 -0.78 117.51 121.35 1t3v h ILE 78 Ca -0.06 -0.24 0.00 0.00 -0.12 0.00 0.00 64.86 64.44 1t3v h ILE 78 Cb 1.27 0.06 0.00 0.00 -3.03 0.00 0.00 36.82 35.13 1t3v h ILE 78 CO 0.03 0.13 0.00 0.00 -0.68 0.00 0.00 178.15 177.62 1t3v n ALA 79 N -2.41 1.27 0.13 1.87 0.00 -0.80 -1.54 120.51 119.03 1t3v n ALA 79 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1t3v n ALA 79 Cb 0.36 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 2.19 -0.47 -0.55 0.00 0.00 -1.18 -3.06 119.26 116.18 1t3v h ALA 80 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1t3v h ALA 80 Cb 0.10 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1t3v h ALA 80 CO 0.00 -0.44 -0.28 0.34 0.00 0.00 0.00 179.25 178.86 1t3v n PHE 81 N -4.36 -0.15 0.40 0.00 7.35 -1.05 -0.91 117.46 118.74 1t3v n PHE 81 Ca -0.05 0.68 0.10 0.00 -0.76 0.00 0.00 57.45 57.43 1t3v n PHE 81 Cb 0.15 -0.60 0.43 0.00 0.35 0.00 0.00 39.48 39.81 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 -4.73 0.13 0.08 -4.13 1.02 -0.59 -0.32 120.64 112.09 1t3v n GLU 82 Ca 0.03 0.39 0.13 0.00 -0.02 0.00 0.00 57.16 57.69 1t3v n GLU 82 Cb 0.17 -1.76 0.46 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 n ALA 83 N -1.69 2.31 -0.86 0.62 0.00 -0.08 -4.24 120.51 116.58 1t3v n ALA 83 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1t3v n ALA 83 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1t3v n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3v n MET 84 N -2.05 0.29 -2.28 0.00 -0.00 0.50 -5.00 117.12 108.59 1t3v n MET 84 Ca 0.06 -0.51 -0.14 0.00 -0.00 0.00 0.00 57.70 57.11 1t3v n MET 84 Cb 0.41 -0.57 -0.01 0.00 -0.00 0.00 0.00 33.22 33.04 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 -0.05 -0.22 3.55 3.17 0.00 0.56 -4.90 105.19 107.29 1t3v n GLY 85 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.62 3.73 0.14 1.61 1.01 -0.42 -4.94 120.40 118.90 1t3v s VAL 86 Ca 0.00 0.35 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 1t3v s VAL 86 Cb 0.00 -4.92 -0.10 0.00 0.00 0.00 0.00 36.38 31.36 1t3v s VAL 86 CO 0.00 -1.86 1.60 -0.75 0.00 0.00 0.00 175.10 174.09 1t3v s LYS 87 N 5.69 4.21 -0.31 2.72 2.20 -0.01 -4.51 119.74 129.73 1t3v s LYS 87 Ca 0.35 2.36 -0.05 0.00 -0.36 0.00 0.00 55.97 58.27 1t3v s LYS 87 Cb -0.08 -3.30 0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1t3v s LYS 87 CO 0.14 -0.65 0.06 0.54 -0.36 0.00 0.00 175.35 175.07 1t3v s VAL 88 N 1.62 3.59 0.24 4.02 0.11 -1.26 -1.01 120.40 127.70 1t3v s VAL 88 Ca 0.71 -1.02 -0.14 0.00 -2.93 0.00 0.00 61.98 58.60 1t3v s VAL 88 Cb -0.43 -2.95 -0.08 0.00 -1.53 0.00 0.00 36.38 31.40 1t3v s VAL 88 CO 0.32 -0.03 0.64 -0.63 -3.33 0.00 0.00 175.10 172.07 1t3v s ILE 89 N 1.40 4.76 0.39 7.04 1.01 0.28 -4.62 121.20 131.46 1t3v s ILE 89 Ca -0.01 0.87 0.05 0.00 0.00 0.00 0.00 60.65 61.56 1t3v s ILE 89 Cb -0.18 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1t3v s ILE 89 CO 0.01 0.03 0.16 0.29 0.00 0.00 0.00 174.94 175.43 1t3v n LYS 90 N 0.20 0.55 -1.10 2.79 4.01 -1.22 -1.67 118.16 121.72 1t3v n LYS 90 Ca -0.01 -3.38 -0.04 0.00 -0.51 0.00 0.00 58.31 54.37 1t3v n LYS 90 Cb 0.52 1.98 -0.02 0.00 -0.51 0.00 0.00 35.03 37.01 1t3v n LYS 90 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1t3v n GLY 91 N -0.75 0.59 3.82 0.72 0.00 -0.62 -4.57 105.19 104.39 1t3v n GLY 91 Ca -0.04 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.86 2.51 0.09 4.61 0.00 -0.53 -4.95 121.76 121.62 1t3v s ALA 92 Ca 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 1t3v s ALA 92 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1t3v s ALA 92 CO 0.00 -1.43 0.16 -1.54 0.00 0.00 0.00 175.76 172.96 1t3v s SER 93 N -3.90 0.16 0.00 0.00 1.04 -1.26 -4.25 113.70 105.49 1t3v s SER 93 Ca 0.59 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1t3v s SER 93 Cb -0.14 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1t3v s SER 93 CO 0.54 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1t3v n GLY 94 N -0.04 0.60 3.98 7.32 0.00 -1.26 -4.39 105.19 111.39 1t3v n GLY 94 Ca -0.15 -2.22 -0.22 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.50 2.56 0.12 2.61 -4.23 -1.26 -1.43 115.64 113.51 1t3v s THR 95 Ca 0.00 -0.65 -0.27 0.00 -1.18 0.00 0.00 61.69 59.59 1t3v s THR 95 Cb 0.00 -2.91 -0.05 0.00 1.34 0.00 0.00 72.50 70.88 1t3v s THR 95 CO 0.00 0.00 1.62 0.58 -0.54 0.00 0.00 174.62 176.28 1t3v h VAL 96 N -0.04 0.33 -0.09 2.29 2.07 -1.25 -0.00 116.25 119.57 1t3v h VAL 96 Ca -0.41 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1t3v h VAL 96 Cb 1.29 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1t3v h VAL 96 CO 0.50 0.00 -0.07 1.05 0.02 0.00 0.00 177.57 179.08 1t3v h GLU 97 N -0.45 0.12 0.26 1.57 4.11 -1.83 -0.50 114.58 117.87 1t3v h GLU 97 Ca 0.06 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 1t3v h GLU 97 Cb 0.54 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1t3v h GLU 97 CO -0.26 0.20 -0.12 1.49 0.07 0.00 0.00 179.01 180.39 1t3v h GLU 98 N 0.12 -0.34 -0.66 1.06 4.81 -1.71 -2.00 114.58 115.87 1t3v h GLU 98 Ca 0.03 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.38 1t3v h GLU 98 Cb 0.20 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 1t3v h GLU 98 CO 0.01 0.02 0.29 0.28 -0.73 0.00 0.00 179.01 178.88 1t3v h VAL 99 N -0.89 0.80 -0.30 0.32 2.07 -0.67 0.81 116.25 118.39 1t3v h VAL 99 Ca -0.04 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1t3v h VAL 99 Cb 0.51 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1t3v h VAL 99 CO 0.06 0.09 0.19 0.58 0.02 0.00 0.00 177.57 178.51 1t3v h VAL 100 N 0.49 1.10 -0.80 2.57 2.07 -1.16 -1.55 116.25 118.97 1t3v h VAL 100 Ca 0.33 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.65 1t3v h VAL 100 Cb 0.39 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1t3v h VAL 100 CO -0.29 0.09 0.53 -1.13 0.02 0.00 0.00 177.57 176.79 1t3v h ASN 101 N 0.39 0.91 0.18 0.57 -1.24 -0.35 0.81 115.58 116.85 1t3v h ASN 101 Ca 0.11 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 1t3v h ASN 101 Cb -0.01 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 1t3v h ASN 101 CO -0.02 0.65 -0.14 1.56 -1.29 0.00 0.00 177.43 178.20 1t3v h GLN 102 N 1.07 -0.31 -0.25 6.67 4.20 -0.65 -1.70 115.11 124.14 1t3v h GLN 102 Ca 0.29 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 1t3v h GLN 102 Cb -0.11 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1t3v h GLN 102 CO -0.07 -0.21 0.08 -0.92 -0.67 0.00 0.00 178.83 177.04 1t3v h TYR 103 N -0.32 0.41 0.00 2.96 3.20 -1.03 -2.16 116.97 120.02 1t3v h TYR 103 Ca -0.01 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1t3v h TYR 103 Cb 0.29 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 1t3v h TYR 103 CO -0.11 0.45 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.74 1t3v h LEU 104 N 0.24 0.00 -1.36 2.82 3.38 -0.81 0.07 115.31 119.65 1t3v h LEU 104 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1t3v h LEU 104 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1t3v h LEU 104 CO -0.00 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.39 1t3v n SER 105 N -3.81 2.01 0.00 -0.43 7.64 -0.64 -4.95 113.62 113.43 1t3v n SER 105 Ca -0.02 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1t3v n SER 105 Cb 0.15 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.14 1.08 0.17 0.23 0.00 0.01 -4.92 105.19 102.91 1t3v n GLY 106 Ca 0.14 0.00 -0.14 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 3.30 0.53 -6.82 1.61 1.08 -1.60 -3.46 115.11 109.76 1t3v h GLN 107 Ca 0.00 -0.33 -0.49 0.00 -1.45 0.00 0.00 58.65 56.38 1t3v h GLN 107 Cb 0.00 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1t3v h GLN 107 CO 0.00 0.94 0.38 -1.17 -0.95 0.00 0.00 178.83 178.03 1t3v s LEU 108 N -8.86 4.50 0.11 1.46 2.96 -1.25 -5.02 118.68 112.59 1t3v s LEU 108 Ca -0.13 1.98 -0.09 0.00 -0.22 0.00 0.00 54.13 55.67 1t3v s LEU 108 Cb 0.06 -3.78 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 1t3v s LEU 108 CO 0.81 -0.01 0.23 -0.75 -1.32 0.00 0.00 176.35 175.31 1t3v s LYS 109 N -1.59 0.95 -0.01 1.98 2.47 -1.26 -4.91 119.74 117.38 1t3v s LYS 109 Ca 0.46 -1.00 0.01 0.00 -1.56 0.00 0.00 55.97 53.88 1t3v s LYS 109 Cb -0.25 0.36 0.04 0.00 -1.46 0.00 0.00 37.83 36.53 1t3v s LYS 109 CO 0.31 -0.32 0.84 -0.40 0.16 0.00 0.00 175.35 175.94 1t3v n ASP 110 N -0.12 0.64 -3.48 1.43 5.68 -1.26 -3.41 116.55 116.03 1t3v n ASP 110 Ca -0.13 -2.02 -0.40 0.00 -0.50 0.00 0.00 54.79 51.74 1t3v n ASP 110 Cb 0.63 -0.22 -0.01 0.00 -1.14 0.00 0.00 41.12 40.37 1t3v n ASP 110 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1t3v n SER 111 N -0.21 7.85 -2.94 -1.12 7.64 -1.26 -4.58 113.62 119.00 1t3v n SER 111 Ca 0.01 -2.98 -0.06 0.00 1.01 0.00 0.00 58.87 56.86 1t3v n SER 111 Cb 0.14 -1.43 -0.01 0.00 -1.01 0.00 0.00 64.21 61.90 1t3v n SER 111 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1t3v s ASP 112 N 0.98 -1.06 0.25 6.43 -1.08 -1.26 -5.05 116.67 115.88 1t3v s ASP 112 Ca 0.57 -1.68 0.08 0.00 -0.52 0.00 0.00 52.55 51.00 1t3v s ASP 112 Cb 0.17 1.62 -0.05 0.00 -1.46 0.00 0.00 42.92 43.20 1t3v s ASP 112 CO -0.08 -0.10 -0.11 -0.47 0.52 0.00 0.00 175.17 174.93 1t3v s TYR 113 N 1.01 1.93 0.31 -5.34 5.04 -1.26 -4.93 117.35 114.10 1t3v s TYR 113 Ca 0.27 -0.59 0.09 0.00 -2.44 0.00 0.00 57.07 54.40 1t3v s TYR 113 Cb -0.01 -0.99 -0.06 0.00 0.35 0.00 0.00 41.96 41.25 1t3v s TYR 113 CO -0.07 0.39 -0.11 -1.83 -1.34 0.00 0.00 175.55 172.59 1t3v s GLU 114 N -3.66 1.69 0.02 4.97 -1.05 -1.26 -5.16 118.70 114.25 1t3v s GLU 114 Ca 0.27 -1.84 -0.01 0.00 -0.15 0.00 0.00 54.97 53.24 1t3v s GLU 114 Cb 0.01 -1.55 -0.02 0.00 -0.44 0.00 0.00 34.13 32.13 1t3v s GLU 114 CO 0.11 0.16 -0.01 0.54 0.95 0.00 0.00 175.26 177.00 1t3v s VAL 115 N -2.71 0.11 0.47 1.83 0.11 -1.26 -5.02 120.40 113.94 1t3v s VAL 115 Ca 0.31 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1t3v s VAL 115 Cb 0.01 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 1t3v s VAL 115 CO 0.14 -0.52 0.00 1.41 -3.33 0.00 0.00 175.10 172.80 1t3v n HIS 116 N 1.48 -4.73 -1.84 1.54 8.25 -1.26 -5.13 115.22 113.53 1t3v n HIS 116 Ca -0.23 1.61 0.00 0.00 -0.26 0.00 0.00 57.72 58.84 1t3v n HIS 116 Cb 0.55 4.02 0.00 0.00 1.12 0.00 0.00 29.99 35.68 1t3v n HIS 116 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1t3v n ASP 117 N -3.46 -7.28 -2.70 0.41 -0.08 -1.26 -5.08 116.55 97.11 1t3v n ASP 117 Ca 0.00 1.21 -0.06 0.00 -1.51 0.00 0.00 54.79 54.43 1t3v n ASP 117 Cb 0.00 -3.99 0.10 0.00 2.34 0.00 0.00 41.12 39.57 1t3v n ASP 117 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1t3v n HIS 118 N 1.34 -1.52 -3.54 -0.67 1.44 -1.26 -5.12 115.22 105.87 1t3v n HIS 118 Ca 0.00 -2.04 -0.11 0.00 -2.01 0.00 0.00 57.72 53.56 1t3v n HIS 118 Cb 0.00 1.14 -0.02 0.00 0.12 0.00 0.00 29.99 31.22 1t3v n HIS 118 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1t3v s HIS 119 N -0.65 -0.42 -0.43 -1.40 5.65 -1.26 -5.08 115.29 111.70 1t3v s HIS 119 Ca 0.20 0.14 -0.12 0.00 0.25 0.00 0.00 55.06 55.53 1t3v s HIS 119 Cb 0.42 0.56 0.02 0.00 -1.18 0.00 0.00 32.58 32.39 1t3v s HIS 119 CO -0.07 -0.93 0.56 1.58 -0.65 0.00 0.00 174.74 175.23 1t3v n HIS 120 N -0.39 -3.11 0.00 3.88 -0.00 -1.26 -5.06 115.22 109.28 1t3v n HIS 120 Ca -0.14 1.24 0.00 0.00 -0.00 0.00 0.00 57.72 58.83 1t3v n HIS 120 Cb 0.64 -3.87 0.00 0.00 -0.00 0.00 0.00 29.99 26.76 1t3v n HIS 120 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1t3v n HIS 121 N -0.53 0.00 0.02 1.57 -0.00 -1.26 -5.07 115.22 109.95 1t3v n HIS 121 Ca 0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1t3v n HIS 121 Cb 0.43 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.30 1t3v n HIS 121 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1t3v n GLU 122 N -0.99 0.00 -4.28 1.57 0.00 -1.26 -5.13 120.64 110.55 1t3v n GLU 122 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.00 1t3v n GLU 122 Cb 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 31.44 31.27 1t3v n GLU 122 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1t3v s HIS 123 N -2.00 1.41 0.00 -1.84 5.04 -1.26 -5.29 115.29 111.35 1t3v s HIS 123 Ca 0.00 -0.67 0.00 0.00 -1.54 0.00 0.00 55.06 52.85 1t3v s HIS 123 Cb 0.00 -0.70 0.00 0.00 0.04 0.00 0.00 32.58 31.92 1t3v s HIS 123 CO 0.00 0.17 0.00 -2.39 -2.34 0.00 0.00 174.74 170.18