#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 0.89 -0.28 1.12 1.01 -1.26 -2.70 121.20 119.98 1t3v s ILE 2 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1t3v s ILE 2 Cb 0.00 -0.75 0.08 0.00 0.01 0.00 0.00 42.46 41.79 1t3v s ILE 2 CO 0.00 0.26 0.00 -0.63 0.00 0.00 0.00 174.94 174.57 1t3v s ILE 3 N -0.15 1.57 0.32 2.92 1.01 0.77 -0.53 121.20 127.10 1t3v s ILE 3 Ca 0.02 -1.53 -0.26 0.00 0.00 0.00 0.00 60.65 58.88 1t3v s ILE 3 Cb -0.06 -1.98 -0.10 0.00 0.01 0.00 0.00 42.46 40.33 1t3v s ILE 3 CO -0.00 -0.35 0.95 0.00 0.00 0.00 0.00 174.94 175.54 1t3v s ALA 4 N 1.32 3.22 -0.12 9.38 0.00 -0.01 -0.53 121.76 135.02 1t3v s ALA 4 Ca 0.02 0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 1t3v s ALA 4 Cb -0.19 -3.19 0.06 0.00 0.00 0.00 0.00 23.12 19.80 1t3v s ALA 4 CO -0.11 0.15 0.16 0.42 0.00 0.00 0.00 175.76 176.38 1t3v s ILE 5 N -1.58 -0.25 -0.15 0.00 1.01 -0.20 -0.26 121.20 119.77 1t3v s ILE 5 Ca 0.50 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 1t3v s ILE 5 Cb -0.19 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 1t3v s ILE 5 CO 0.25 0.01 1.37 -2.16 0.00 0.00 0.00 174.94 174.41 1t3v s PRO 6 N 2.27 4.18 -0.04 2.79 0.04 -1.26 -0.45 135.00 142.54 1t3v s PRO 6 Ca 0.04 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.85 1t3v s PRO 6 Cb -0.13 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.54 1t3v s PRO 6 CO -0.07 -0.79 -0.07 0.14 0.04 0.00 0.00 177.00 176.24 1t3v s VAL 7 N 3.76 3.68 0.19 -0.36 -7.23 -1.08 -0.00 120.40 119.36 1t3v s VAL 7 Ca 0.60 -0.61 0.31 0.00 -1.81 0.00 0.00 61.98 60.46 1t3v s VAL 7 Cb -0.24 -2.55 0.33 0.00 0.56 0.00 0.00 36.38 34.48 1t3v s VAL 7 CO 0.19 0.51 1.97 0.28 -0.31 0.00 0.00 175.10 177.74 1t3v h SER 8 N 4.92 0.00 -5.09 4.85 0.02 -1.16 -3.29 113.55 113.79 1t3v h SER 8 Ca -0.49 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.37 1t3v h SER 8 Cb 1.17 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.55 1t3v h SER 8 CO 0.53 0.09 -0.33 -1.61 -1.14 0.00 0.00 176.83 174.37 1t3v s GLU 9 N -3.76 0.79 -0.70 3.45 0.41 -1.26 -4.84 118.70 112.79 1t3v s GLU 9 Ca 0.00 -0.70 -0.21 0.00 -0.41 0.00 0.00 54.97 53.65 1t3v s GLU 9 Cb 0.10 0.33 0.09 0.00 -1.78 0.00 0.00 34.13 32.88 1t3v s GLU 9 CO 0.57 -0.25 0.92 1.21 -0.49 0.00 0.00 175.26 177.23 1t3v s ASN 10 N -2.36 6.28 -0.24 -0.19 3.84 -1.26 -4.50 114.94 116.51 1t3v s ASN 10 Ca -0.02 -1.36 0.17 0.00 0.21 0.00 0.00 52.86 51.87 1t3v s ASN 10 Cb 0.01 -2.38 0.48 0.00 -0.55 0.00 0.00 41.25 38.81 1t3v s ASN 10 CO -0.06 -1.26 1.15 0.54 -2.79 0.00 0.00 177.10 174.68 1t3v n ARG 11 N 7.02 2.13 0.00 0.43 1.74 -1.26 -4.98 116.66 121.74 1t3v n ARG 11 Ca 0.01 -3.54 0.00 0.00 -0.77 0.00 0.00 57.85 53.55 1t3v n ARG 11 Cb 0.45 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 -0.55 1.38 0.14 -0.13 0.00 -1.26 -1.07 105.19 103.70 1t3v n GLY 12 Ca 0.20 0.48 -0.24 0.00 0.00 0.00 0.00 46.02 46.46 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 0.47 0.00 1.61 1.57 -2.00 -3.32 116.57 114.90 1t3v h LYS 13 Ca 0.00 -0.80 0.00 0.00 -1.87 0.00 0.00 60.65 57.98 1t3v h LYS 13 Cb 0.00 0.30 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1t3v h LYS 13 CO 0.00 1.39 0.00 -0.44 -0.57 0.00 0.00 179.45 179.83 1t3v h ASP 14 N 0.01 0.00 0.00 0.86 3.32 -1.54 -3.15 116.42 115.92 1t3v h ASP 14 Ca -0.24 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.21 1t3v h ASP 14 Cb 2.04 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.52 1t3v h ASP 14 CO 0.24 0.00 1.50 -1.20 -1.72 0.00 0.00 179.24 178.06 1t3v n SER 15 N -2.46 0.48 -4.74 6.45 7.64 -1.09 -4.73 113.62 115.16 1t3v n SER 15 Ca -0.01 0.39 -0.41 0.00 1.01 0.00 0.00 58.87 59.86 1t3v n SER 15 Cb 0.11 -0.88 -0.03 0.00 -1.01 0.00 0.00 64.21 62.40 1t3v n SER 15 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1t3v s PRO 16 N 7.35 4.46 0.58 1.43 0.04 -1.26 -1.40 135.00 146.21 1t3v s PRO 16 Ca 1.24 1.96 -0.20 0.00 0.04 0.00 0.00 61.00 64.04 1t3v s PRO 16 Cb -1.32 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 29.98 1t3v s PRO 16 CO 0.55 -0.11 1.30 -1.50 0.04 0.00 0.00 177.00 177.28 1t3v s ILE 17 N -0.25 2.21 1.01 0.56 2.07 -0.69 -0.84 121.20 125.27 1t3v s ILE 17 Ca 0.53 0.14 -0.17 0.00 -1.41 0.00 0.00 60.65 59.74 1t3v s ILE 17 Cb -0.34 -3.06 0.22 0.00 0.13 0.00 0.00 42.46 39.40 1t3v s ILE 17 CO 0.39 -0.02 1.30 -0.55 -1.91 0.00 0.00 174.94 174.16 1t3v s SER 18 N -1.23 2.72 -0.12 4.50 0.15 0.99 -4.25 113.70 116.47 1t3v s SER 18 Ca 0.76 0.30 0.10 0.00 0.70 0.00 0.00 55.95 57.81 1t3v s SER 18 Cb -0.37 -0.35 -0.15 0.00 -1.71 0.00 0.00 66.02 63.44 1t3v s SER 18 CO 0.42 -2.98 0.04 -0.62 1.20 0.00 0.00 173.24 171.29 1t3v n GLU 19 N -3.94 2.01 -3.61 5.44 1.02 -1.26 -4.47 120.64 115.82 1t3v n GLU 19 Ca 0.15 -0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.00 1t3v n GLU 19 Cb 0.59 -1.31 -0.13 0.00 -0.02 0.00 0.00 31.44 30.58 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 -2.29 1.45 0.32 -0.32 3.76 -1.26 -2.83 115.29 114.13 1t3v s HIS 20 Ca -0.06 -2.06 0.09 0.00 -0.15 0.00 0.00 55.06 52.88 1t3v s HIS 20 Cb 0.04 -1.49 0.95 0.00 1.11 0.00 0.00 32.58 33.19 1t3v s HIS 20 CO 0.49 -0.81 1.63 0.35 -0.85 0.00 0.00 174.74 175.54 1t3v h PHE 21 N 6.94 0.54 0.00 1.40 3.04 -1.93 -1.43 116.94 125.50 1t3v h PHE 21 Ca 0.01 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1t3v h PHE 21 Cb 0.95 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.38 1t3v h PHE 21 CO 0.46 -0.29 0.00 0.41 -2.02 0.00 0.00 178.31 176.87 1t3v n GLY 22 N -1.35 -0.62 2.71 2.40 0.00 -1.26 -2.34 105.19 104.73 1t3v n GLY 22 Ca 0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.08 1.29 -2.21 1.61 0.00 -0.57 -4.96 116.66 110.75 1t3v n ARG 23 Ca 0.12 -2.61 -0.42 0.00 -0.00 0.00 0.00 57.85 54.94 1t3v n ARG 23 Cb 0.08 -0.74 -0.03 0.00 -0.00 0.00 0.00 32.46 31.77 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 -1.85 3.54 0.02 2.89 0.00 -0.99 -4.92 121.76 120.45 1t3v s ALA 24 Ca 0.23 1.10 0.25 0.00 0.00 0.00 0.00 51.96 53.55 1t3v s ALA 24 Cb 0.42 -3.49 0.86 0.00 0.00 0.00 0.00 23.12 20.90 1t3v s ALA 24 CO -0.03 -0.55 1.80 -1.00 0.00 0.00 0.00 175.76 175.97 1t3v h PRO 25 N 5.74 0.00 -3.49 0.00 0.13 -1.89 -3.37 132.00 129.12 1t3v h PRO 25 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1t3v h PRO 25 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 1t3v h PRO 25 CO 0.79 0.17 -0.38 0.71 -0.23 0.00 0.00 178.00 179.07 1t3v s TYR 26 N -3.52 0.02 -0.28 1.56 2.02 -1.24 -2.31 117.35 113.59 1t3v s TYR 26 Ca 0.02 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 1t3v s TYR 26 Cb 0.09 -0.01 0.08 0.00 -0.40 0.00 0.00 41.96 41.72 1t3v s TYR 26 CO 0.63 -0.42 0.04 -0.06 -1.57 0.00 0.00 175.55 174.17 1t3v s PHE 27 N -2.37 2.13 -0.97 2.71 0.08 -1.12 -2.62 117.98 115.82 1t3v s PHE 27 Ca -0.07 -1.82 -0.24 0.00 0.12 0.00 0.00 56.93 54.92 1t3v s PHE 27 Cb -0.02 -1.78 0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1t3v s PHE 27 CO -0.03 -0.82 1.43 0.00 -0.10 0.00 0.00 175.22 175.70 1t3v s ALA 28 N 1.47 2.70 -0.80 5.36 0.00 0.41 -3.26 121.76 127.64 1t3v s ALA 28 Ca 0.04 -2.08 -0.23 0.00 0.00 0.00 0.00 51.96 49.69 1t3v s ALA 28 Cb -0.18 -4.48 0.07 0.00 0.00 0.00 0.00 23.12 18.53 1t3v s ALA 28 CO -0.15 -3.59 1.17 -0.06 0.00 0.00 0.00 175.76 173.13 1t3v s PHE 29 N 5.23 2.62 0.65 0.00 0.08 -0.38 -1.04 117.98 125.13 1t3v s PHE 29 Ca 0.45 -0.62 -0.11 0.00 0.12 0.00 0.00 56.93 56.76 1t3v s PHE 29 Cb -0.02 -4.46 -0.02 0.00 -0.57 0.00 0.00 43.02 37.96 1t3v s PHE 29 CO -0.05 -1.79 1.05 0.08 -0.10 0.00 0.00 175.22 174.40 1t3v s VAL 30 N 4.43 4.40 0.00 -0.44 1.01 0.31 -1.55 120.40 128.57 1t3v s VAL 30 Ca 0.32 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1t3v s VAL 30 Cb -0.09 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1t3v s VAL 30 CO 0.04 -1.02 0.00 0.29 0.00 0.00 0.00 175.10 174.42 1t3v n LYS 31 N -2.85 1.54 -3.72 2.72 5.02 0.00 -0.16 118.16 120.71 1t3v n LYS 31 Ca 0.06 -0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 1t3v n LYS 31 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.47 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 -0.12 0.02 0.00 -0.18 0.11 -1.10 -4.55 120.40 114.58 1t3v s VAL 32 Ca 0.00 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 1t3v s VAL 32 Cb -0.00 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1t3v s VAL 32 CO 0.00 -0.08 0.00 1.17 -3.33 0.00 0.00 175.10 172.86 1t3v n LYS 33 N 2.14 3.53 0.37 1.54 3.00 0.11 -4.50 118.16 124.35 1t3v n LYS 33 Ca -0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 57.99 1t3v n LYS 33 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.52 1t3v n LYS 33 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1t3v h ASN 34 N 0.00 -0.88 0.00 3.14 -0.73 -2.01 -3.41 115.58 111.68 1t3v h ASN 34 Ca 0.00 0.04 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 1t3v h ASN 34 Cb 0.00 0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 1t3v h ASN 34 CO 0.00 -0.60 -0.45 -3.20 -0.37 0.00 0.00 177.43 172.81 1t3v n ASN 35 N -4.71 0.00 -4.40 1.15 2.85 -1.26 -5.12 115.26 103.77 1t3v n ASN 35 Ca -0.12 -1.90 -0.21 0.00 -0.11 0.00 0.00 54.58 52.25 1t3v n ASN 35 Cb 0.39 -0.18 -0.10 0.00 1.24 0.00 0.00 39.78 41.13 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1t3v s ALA 36 N 0.00 2.28 0.50 5.20 0.00 -1.26 -5.05 121.76 123.43 1t3v s ALA 36 Ca 0.00 -1.79 0.32 0.00 0.00 0.00 0.00 51.96 50.48 1t3v s ALA 36 Cb 0.00 -0.03 1.74 0.00 0.00 0.00 0.00 23.12 24.83 1t3v s ALA 36 CO -0.00 0.06 2.18 0.82 0.00 0.00 0.00 175.76 178.82 1t3v h ILE 37 N 2.40 0.42 0.00 0.00 5.03 -1.94 0.31 117.51 123.73 1t3v h ILE 37 Ca -0.39 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.08 1t3v h ILE 37 Cb 1.23 1.18 0.00 0.00 -3.03 0.00 0.00 36.82 36.20 1t3v h ILE 37 CO 0.64 0.05 0.00 0.00 -0.68 0.00 0.00 178.15 178.16 1t3v n ALA 38 N -2.25 0.00 -3.66 1.87 0.00 -1.26 -2.97 120.51 112.24 1t3v n ALA 38 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 1t3v n ALA 38 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 1t3v n ALA 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t3v s ASP 39 N 0.00 -0.31 0.14 0.00 1.01 -1.26 -4.99 116.67 111.27 1t3v s ASP 39 Ca 0.00 -0.28 0.10 0.00 0.71 0.00 0.00 52.55 53.07 1t3v s ASP 39 Cb 0.00 0.53 -0.04 0.00 1.01 0.00 0.00 42.92 44.42 1t3v s ASP 39 CO 0.00 -0.94 -0.22 -0.63 0.21 0.00 0.00 175.17 173.59 1t3v s ILE 40 N -3.46 2.00 -0.43 0.77 -1.09 -1.26 -0.82 121.20 116.91 1t3v s ILE 40 Ca 0.08 -1.78 0.07 0.00 -2.23 0.00 0.00 60.65 56.79 1t3v s ILE 40 Cb -0.02 -1.84 0.23 0.00 -1.58 0.00 0.00 42.46 39.24 1t3v s ILE 40 CO -0.02 -0.10 0.59 -1.20 -1.23 0.00 0.00 174.94 172.98 1t3v n SER 41 N 0.69 -1.04 -4.45 3.58 7.64 -0.59 -4.94 113.62 114.51 1t3v n SER 41 Ca -0.16 -2.79 -0.44 0.00 1.01 0.00 0.00 58.87 56.48 1t3v n SER 41 Cb 0.55 0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 63.93 1t3v n SER 41 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1t3v s VAL 42 N -0.29 4.98 0.20 0.44 0.11 -1.26 -1.25 120.40 123.33 1t3v s VAL 42 Ca 0.33 -2.23 -0.01 0.00 -2.93 0.00 0.00 61.98 57.15 1t3v s VAL 42 Cb 0.14 -4.82 -0.04 0.00 -1.53 0.00 0.00 36.38 30.13 1t3v s VAL 42 CO -0.15 -1.52 0.40 -1.61 -3.33 0.00 0.00 175.10 168.88 1t3v s GLU 43 N 1.83 3.53 0.47 1.54 0.41 -1.20 -4.96 118.70 120.31 1t3v s GLU 43 Ca 0.37 -0.33 -0.21 0.00 -0.41 0.00 0.00 54.97 54.39 1t3v s GLU 43 Cb -0.04 -2.83 -0.08 0.00 -1.78 0.00 0.00 34.13 29.39 1t3v s GLU 43 CO -0.05 0.40 1.07 -1.21 -0.49 0.00 0.00 175.26 174.98 1t3v s GLU 44 N -3.32 3.80 -0.35 1.61 2.02 -1.26 -2.78 118.70 118.42 1t3v s GLU 44 Ca 0.39 1.47 -0.19 0.00 0.02 0.00 0.00 54.97 56.66 1t3v s GLU 44 Cb -0.11 -2.20 -0.00 0.00 0.10 0.00 0.00 34.13 31.91 1t3v s GLU 44 CO 0.29 -0.45 0.57 -0.80 0.02 0.00 0.00 175.26 174.90 1t3v s ASN 45 N -1.80 6.38 0.56 -0.19 -0.87 -0.98 -4.85 114.94 113.19 1t3v s ASN 45 Ca 0.66 0.09 0.33 0.00 -1.57 0.00 0.00 52.86 52.37 1t3v s ASN 45 Cb -0.20 -2.30 1.59 0.00 -0.02 0.00 0.00 41.25 40.32 1t3v s ASN 45 CO 0.24 -0.53 2.08 1.55 -2.57 0.00 0.00 177.10 177.88 1t3v h PRO 46 N 8.43 0.00 -0.60 -0.60 0.13 -1.94 -2.98 132.00 134.44 1t3v h PRO 46 Ca -0.27 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.43 1t3v h PRO 46 Cb 1.12 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.87 1t3v h PRO 46 CO 0.80 0.06 -0.84 1.28 -0.23 0.00 0.00 178.00 179.08 1t3v n LEU 47 N -3.30 4.05 -0.08 1.56 7.99 -1.26 -4.66 117.00 121.30 1t3v n LEU 47 Ca -0.01 -4.31 -0.06 0.00 -0.01 0.00 0.00 56.01 51.61 1t3v n LEU 47 Cb 0.24 -0.22 -0.00 0.00 -0.11 0.00 0.00 43.42 43.33 1t3v n LEU 47 CO 0.27 1.82 0.78 0.00 -1.51 0.00 0.00 177.39 178.75 1t3v h ALA 48 N 2.09 0.14 0.00 -1.18 0.00 -1.69 -3.38 119.26 115.23 1t3v h ALA 48 Ca 0.23 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 1t3v h ALA 48 Cb 1.45 0.31 -0.15 0.00 0.00 0.00 0.00 17.79 19.39 1t3v h ALA 48 CO 0.57 -0.51 -0.37 1.04 0.00 0.00 0.00 179.25 179.98 1t3v n GLN 49 N -5.30 0.00 0.00 0.00 6.02 -1.26 -4.37 117.38 112.47 1t3v n GLN 49 Ca 0.00 -1.06 0.00 0.00 -0.01 0.00 0.00 57.00 55.94 1t3v n GLN 49 Cb 0.21 0.38 0.00 0.00 1.02 0.00 0.00 30.24 31.86 1t3v n GLN 49 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1t3v n ASP 50 N 0.07 0.00 0.27 1.08 2.03 -1.26 -4.38 116.55 114.35 1t3v n ASP 50 Ca -0.21 0.25 0.14 0.00 0.52 0.00 0.00 54.79 55.49 1t3v n ASP 50 Cb 0.74 -0.39 0.73 0.00 -0.72 0.00 0.00 41.12 41.48 1t3v n ASP 50 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1t3v h HIS 51 N 0.00 0.00 -6.99 -0.67 3.86 -1.88 -3.46 115.15 106.00 1t3v h HIS 51 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 1t3v h HIS 51 Cb 0.00 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.31 1t3v h HIS 51 CO 0.00 0.11 -0.93 0.28 0.86 0.00 0.00 177.93 178.24 1t3v n VAL 52 N -3.45 -1.29 0.17 2.45 0.31 -1.26 -4.68 118.33 110.57 1t3v n VAL 52 Ca -0.01 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1t3v n VAL 52 Cb 0.26 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1t3v n VAL 52 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1t3v n HIS 53 N -4.52 -3.52 -0.46 3.52 -0.00 -1.26 -5.17 115.22 103.81 1t3v n HIS 53 Ca -0.27 0.99 0.00 0.00 -0.00 0.00 0.00 57.72 58.44 1t3v n HIS 53 Cb 0.64 2.36 0.00 0.00 -0.00 0.00 0.00 29.99 32.98 1t3v n HIS 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1t3v n GLY 54 N -0.32 1.37 4.74 1.57 0.00 -1.26 -5.04 105.19 106.25 1t3v n GLY 54 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1t3v n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v n ALA 55 N -3.00 0.00 -0.27 4.61 0.00 -1.26 -4.75 120.51 115.85 1t3v n ALA 55 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1t3v n ALA 55 Cb 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 19.45 19.24 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 0.12 0.00 0.00 2.07 -1.96 -1.38 116.25 115.10 1t3v h VAL 56 Ca 0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 1t3v h VAL 56 Cb 0.00 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1t3v h VAL 56 CO 0.00 0.00 -0.84 1.55 0.02 0.00 0.00 177.57 178.30 1t3v h PRO 57 N -0.09 0.05 0.00 1.57 0.13 -1.97 -2.94 132.00 128.75 1t3v h PRO 57 Ca 0.29 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.34 1t3v h PRO 57 Cb 0.57 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1t3v h PRO 57 CO -0.79 0.85 -0.12 -0.97 -0.23 0.00 0.00 178.00 176.74 1t3v h ASN 58 N 0.03 0.00 0.00 1.44 -0.73 -1.68 0.11 115.58 114.75 1t3v h ASN 58 Ca -0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1t3v h ASN 58 Cb 1.47 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.06 1t3v h ASN 58 CO 0.11 0.12 0.00 0.33 -0.37 0.00 0.00 177.43 177.63 1t3v n PHE 59 N -3.66 0.00 0.24 0.67 7.35 -0.62 -4.02 117.46 117.42 1t3v n PHE 59 Ca -0.02 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.78 1t3v n PHE 59 Cb 0.24 -0.34 0.71 0.00 0.35 0.00 0.00 39.48 40.45 1t3v n PHE 59 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1t3v h VAL 60 N 0.00 0.85 -0.76 -2.13 -1.51 -1.22 0.12 116.25 111.61 1t3v h VAL 60 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.50 1t3v h VAL 60 Cb 0.00 0.97 -0.05 0.00 -2.13 0.00 0.00 31.29 30.08 1t3v h VAL 60 CO 0.00 0.00 0.48 0.11 -1.23 0.00 0.00 177.57 176.93 1t3v h LYS 61 N 0.00 0.92 0.00 5.19 1.57 -1.02 -1.88 116.57 121.36 1t3v h LYS 61 Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1t3v h LYS 61 Cb 0.11 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1t3v h LYS 61 CO -0.00 0.61 0.00 1.05 -0.57 0.00 0.00 179.45 180.54 1t3v h GLU 62 N 0.95 0.00 -1.48 3.15 -0.00 -0.88 -3.06 114.58 113.25 1t3v h GLU 62 Ca 0.30 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.45 1t3v h GLU 62 Cb -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 28.75 28.65 1t3v h GLU 62 CO -0.11 0.00 0.27 1.63 -0.00 0.00 0.00 179.01 180.80 1t3v n LYS 63 N -2.74 1.51 -3.10 1.06 4.76 -0.71 -4.85 118.16 114.10 1t3v n LYS 63 Ca -0.02 -1.06 -0.18 0.00 -2.87 0.00 0.00 58.31 54.19 1t3v n LYS 63 Cb 0.08 -1.41 -0.04 0.00 -1.84 0.00 0.00 35.03 31.81 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 0.49 -0.13 3.74 0.72 0.00 -1.16 -4.90 105.19 103.95 1t3v n GLY 64 Ca 0.20 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.73 1.38 0.00 4.61 0.00 -1.26 -4.74 121.76 119.02 1t3v s ALA 65 Ca 0.22 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1t3v s ALA 65 Cb -0.13 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1t3v s ALA 65 CO 0.47 -2.83 0.00 0.39 0.00 0.00 0.00 175.76 173.79 1t3v n GLU 66 N -4.15 0.85 -4.00 0.00 1.02 -1.02 -4.84 120.64 108.49 1t3v n GLU 66 Ca 0.10 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.16 1t3v n GLU 66 Cb 0.59 -0.37 -0.09 0.00 -0.02 0.00 0.00 31.44 31.55 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 -0.81 2.13 -0.10 -4.62 1.98 0.31 -2.08 118.68 115.48 1t3v s LEU 67 Ca 0.00 -0.79 -0.15 0.00 -2.89 0.00 0.00 54.13 50.31 1t3v s LEU 67 Cb 0.00 0.43 0.03 0.00 0.66 0.00 0.00 46.19 47.31 1t3v s LEU 67 CO 0.00 -0.57 0.38 -0.69 -1.89 0.00 0.00 176.35 173.57 1t3v s VAL 68 N -3.38 0.02 -0.17 1.68 1.01 -0.29 -0.83 120.40 118.44 1t3v s VAL 68 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1t3v s VAL 68 Cb 0.04 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.88 1t3v s VAL 68 CO -0.08 -0.08 -0.01 -0.63 0.00 0.00 0.00 175.10 174.29 1t3v s ILE 69 N -0.34 0.84 0.33 2.22 1.01 0.64 -0.67 121.20 125.23 1t3v s ILE 69 Ca -0.05 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1t3v s ILE 69 Cb -0.03 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1t3v s ILE 69 CO 0.02 -0.00 0.08 1.33 0.00 0.00 0.00 174.94 176.37 1t3v n VAL 70 N 4.95 0.00 0.00 2.92 0.24 0.13 -4.24 118.33 122.33 1t3v n VAL 70 Ca -0.10 -1.81 0.00 0.00 -2.04 0.00 0.00 64.34 60.39 1t3v n VAL 70 Cb 0.47 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 1t3v n VAL 70 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1t3v n ARG 71 N -0.77 0.00 0.03 7.34 0.63 -1.26 -2.57 116.66 120.06 1t3v n ARG 71 Ca -0.08 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 56.96 1t3v n ARG 71 Cb 0.47 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.31 1t3v n ARG 71 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t3v n GLY 72 N 4.24 -1.18 7.00 5.14 0.00 -1.13 -1.08 105.19 118.18 1t3v n GLY 72 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.27 0.00 0.00 -0.61 3.06 -1.25 -4.97 119.36 113.32 1t3v n ILE 73 Ca -0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.24 1t3v n ILE 73 Cb 0.52 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.70 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 4.34 0.00 4.50 0.00 -1.26 -4.81 105.19 107.97 1t3v n GLY 74 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.63 1t3v n GLY 74 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1t3v n ARG 75 N 0.00 3.31 -0.23 1.61 3.00 -1.26 -4.67 116.66 118.42 1t3v n ARG 75 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.94 1t3v n ARG 75 Cb 0.00 -1.01 0.36 0.00 0.00 0.00 0.00 32.46 31.81 1t3v n ARG 75 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1t3v h ARG 76 N 0.00 0.72 0.04 -0.14 0.11 -2.00 -1.89 114.38 111.22 1t3v h ARG 76 Ca -0.01 -0.04 -0.22 0.00 0.10 0.00 0.00 59.98 59.80 1t3v h ARG 76 Cb 1.02 -0.16 -0.02 0.00 1.11 0.00 0.00 29.97 31.92 1t3v h ARG 76 CO 0.00 0.48 -1.04 0.00 0.10 0.00 0.00 179.97 179.51 1t3v h ALA 77 N 1.59 0.32 -0.56 0.08 0.00 -1.98 -3.21 119.26 115.50 1t3v h ALA 77 Ca 0.38 -0.87 0.11 0.00 0.00 0.00 0.00 54.91 54.53 1t3v h ALA 77 Cb 0.48 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 1t3v h ALA 77 CO -0.15 1.12 0.04 0.82 0.00 0.00 0.00 179.25 181.08 1t3v h ILE 78 N 0.03 0.59 0.00 0.00 5.03 -1.62 -0.99 117.51 120.55 1t3v h ILE 78 Ca -0.05 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1t3v h ILE 78 Cb 1.77 0.42 0.00 0.00 -3.03 0.00 0.00 36.82 35.98 1t3v h ILE 78 CO 0.15 0.03 0.00 0.00 -0.68 0.00 0.00 178.15 177.65 1t3v n ALA 79 N -2.67 1.25 -0.00 1.87 0.00 -1.02 -0.53 120.51 119.41 1t3v n ALA 79 Ca 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 1t3v n ALA 79 Cb 0.31 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 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 2.13 -0.12 -0.79 0.00 0.00 -1.28 -3.17 119.26 116.03 1t3v h ALA 80 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1t3v h ALA 80 Cb 0.11 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1t3v h ALA 80 CO 0.00 -0.11 0.50 0.74 0.00 0.00 0.00 179.25 180.38 1t3v h PHE 81 N -1.02 0.94 0.00 0.00 0.04 -1.38 -1.25 116.94 114.26 1t3v h PHE 81 Ca -0.01 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1t3v h PHE 81 Cb 0.19 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.03 1t3v h PHE 81 CO 0.03 0.53 -0.02 0.93 -0.60 0.00 0.00 178.31 179.18 1t3v h GLU 82 N 0.97 0.00 0.00 1.51 5.08 -0.98 0.93 114.58 122.10 1t3v h GLU 82 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1t3v h GLU 82 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1t3v h GLU 82 CO -0.12 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 177.91 1t3v n ALA 83 N -2.12 2.06 -0.14 3.43 0.00 -0.47 -3.38 120.51 119.89 1t3v n ALA 83 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1t3v n ALA 83 Cb 0.20 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1t3v n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3v n MET 84 N -1.45 2.40 -2.07 0.00 -0.00 -0.36 -5.01 117.12 110.63 1t3v n MET 84 Ca 0.07 -0.15 -0.09 0.00 -0.00 0.00 0.00 57.70 57.53 1t3v n MET 84 Cb 0.25 -0.55 -0.01 0.00 -0.00 0.00 0.00 33.22 32.90 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 0.38 0.12 3.63 3.17 0.00 0.09 -5.00 105.19 107.59 1t3v n GLY 85 Ca 0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.44 4.35 0.27 1.61 1.01 0.09 -4.97 120.40 120.32 1t3v s VAL 86 Ca 0.00 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.22 1t3v s VAL 86 Cb 0.00 -4.33 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 1t3v s VAL 86 CO 0.00 -0.52 1.16 -0.75 0.00 0.00 0.00 175.10 174.99 1t3v s LYS 87 N 3.90 4.56 -0.41 2.72 2.20 -0.88 -4.43 119.74 127.40 1t3v s LYS 87 Ca 0.50 1.89 0.02 0.00 -0.36 0.00 0.00 55.97 58.02 1t3v s LYS 87 Cb -0.14 -3.18 0.12 0.00 -1.51 0.00 0.00 37.83 33.13 1t3v s LYS 87 CO 0.19 0.08 0.19 0.54 -0.36 0.00 0.00 175.35 176.00 1t3v s VAL 88 N -0.95 1.51 0.47 4.02 0.11 -1.26 -1.13 120.40 123.17 1t3v s VAL 88 Ca 0.47 -2.38 -0.22 0.00 -2.93 0.00 0.00 61.98 56.92 1t3v s VAL 88 Cb -0.34 -2.08 -0.07 0.00 -1.53 0.00 0.00 36.38 32.37 1t3v s VAL 88 CO 0.42 -0.81 1.13 -0.63 -3.33 0.00 0.00 175.10 171.88 1t3v s ILE 89 N 0.59 3.26 0.30 7.04 1.01 0.16 -4.58 121.20 128.98 1t3v s ILE 89 Ca 0.15 0.89 -0.14 0.00 0.00 0.00 0.00 60.65 61.55 1t3v s ILE 89 Cb -0.23 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1t3v s ILE 89 CO -0.06 -0.06 0.61 -1.59 0.00 0.00 0.00 174.94 173.85 1t3v s LYS 90 N -2.85 1.81 -1.61 2.79 -2.85 -1.18 -0.70 119.74 115.16 1t3v s LYS 90 Ca 0.65 -1.29 0.00 0.00 -1.00 0.00 0.00 55.97 54.34 1t3v s LYS 90 Cb -0.26 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1t3v s LYS 90 CO 0.31 -0.80 0.00 0.41 0.10 0.00 0.00 175.35 175.37 1t3v n GLY 91 N -0.46 1.51 3.91 0.59 0.00 -0.24 -4.76 105.19 105.74 1t3v n GLY 91 Ca -0.03 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.45 2.09 0.16 4.61 0.00 -1.06 -5.00 121.76 120.11 1t3v s ALA 92 Ca 0.00 -1.23 -0.21 0.00 0.00 0.00 0.00 51.96 50.52 1t3v s ALA 92 Cb 0.00 -2.77 0.06 0.00 0.00 0.00 0.00 23.12 20.41 1t3v s ALA 92 CO 0.00 -2.58 0.55 -1.54 0.00 0.00 0.00 175.76 172.19 1t3v s SER 93 N -4.85 -0.47 0.00 0.00 1.04 -1.26 -4.68 113.70 103.48 1t3v s SER 93 Ca 0.75 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1t3v s SER 93 Cb -0.04 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1t3v s SER 93 CO 0.54 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1t3v n GLY 94 N -0.34 0.92 3.91 7.32 0.00 -1.26 -4.72 105.19 111.02 1t3v n GLY 94 Ca -0.16 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 1t3v n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t3v s THR 95 N -2.40 3.46 0.13 2.61 -4.23 -1.26 -1.70 115.64 112.25 1t3v s THR 95 Ca 0.00 0.06 -0.26 0.00 -1.18 0.00 0.00 61.69 60.32 1t3v s THR 95 Cb 0.00 -3.41 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 1t3v s THR 95 CO 0.00 -0.44 1.63 0.58 -0.54 0.00 0.00 174.62 175.85 1t3v h VAL 96 N -0.32 0.40 -0.00 2.29 2.07 -1.30 -1.03 116.25 118.36 1t3v h VAL 96 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1t3v h VAL 96 Cb 1.26 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1t3v h VAL 96 CO 0.61 0.00 0.00 1.05 0.02 0.00 0.00 177.57 179.26 1t3v h GLU 97 N -0.39 0.00 0.00 1.57 4.11 -1.85 -0.82 114.58 117.20 1t3v h GLU 97 Ca 0.07 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.33 1t3v h GLU 97 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1t3v h GLU 97 CO -0.24 0.00 -1.05 1.49 0.07 0.00 0.00 179.01 179.28 1t3v h GLU 98 N 0.00 0.00 -0.78 1.06 4.57 -1.84 -3.29 114.58 114.31 1t3v h GLU 98 Ca 0.00 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 1t3v h GLU 98 Cb 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 1t3v h GLU 98 CO -0.00 0.75 0.51 0.28 -1.18 0.00 0.00 179.01 179.37 1t3v h VAL 99 N -1.00 0.87 0.26 0.32 2.07 -0.73 0.60 116.25 118.64 1t3v h VAL 99 Ca -0.26 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1t3v h VAL 99 Cb 1.10 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1t3v h VAL 99 CO -0.16 0.11 -0.12 0.58 0.02 0.00 0.00 177.57 178.00 1t3v h VAL 100 N 0.58 0.78 -0.78 2.57 2.07 -1.34 -2.46 116.25 117.66 1t3v h VAL 100 Ca 0.37 -0.66 0.10 0.00 0.82 0.00 0.00 66.70 67.33 1t3v h VAL 100 Cb 0.65 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1t3v h VAL 100 CO -0.14 0.13 0.43 0.78 0.02 0.00 0.00 177.57 178.79 1t3v h ASN 101 N -0.71 0.59 -0.84 0.57 2.35 -1.34 -0.04 115.58 116.16 1t3v h ASN 101 Ca -0.04 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1t3v h ASN 101 Cb 0.49 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.75 1t3v h ASN 101 CO 0.06 0.33 0.54 1.56 -1.65 0.00 0.00 177.43 178.27 1t3v h GLN 102 N 0.71 1.03 -0.14 0.81 4.20 -0.83 -1.01 115.11 119.89 1t3v h GLN 102 Ca 0.38 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.90 1t3v h GLN 102 Cb 0.37 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1t3v h GLN 102 CO -0.26 0.68 -0.43 -0.92 -0.67 0.00 0.00 178.83 177.23 1t3v h TYR 103 N 1.06 0.70 -0.07 2.96 3.20 -0.85 -2.17 116.97 121.80 1t3v h TYR 103 Ca 0.33 -0.28 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1t3v h TYR 103 Cb -0.01 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1t3v h TYR 103 CO -0.02 1.04 0.05 -0.07 -1.64 0.00 0.00 178.16 177.52 1t3v h LEU 104 N 0.16 0.00 0.00 2.82 4.07 -0.77 0.24 115.31 121.83 1t3v h LEU 104 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1t3v h LEU 104 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1t3v h LEU 104 CO 0.09 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.25 1t3v n SER 105 N -4.50 0.00 -1.19 -0.43 7.64 -0.40 -4.92 113.62 109.82 1t3v n SER 105 Ca -0.01 -0.50 -0.15 0.00 1.01 0.00 0.00 58.87 59.22 1t3v n SER 105 Cb 0.16 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.96 1.42 0.06 0.23 0.00 0.07 -4.91 105.19 103.03 1t3v n GLY 106 Ca 0.17 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.00 -7.06 1.61 4.20 -1.60 -3.47 115.11 108.80 1t3v h GLN 107 Ca -0.31 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.85 1t3v h GLN 107 Cb 1.00 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.92 1t3v h GLN 107 CO 0.45 0.38 0.61 -0.51 -0.67 0.00 0.00 178.83 179.09 1t3v s LEU 108 N -8.39 3.82 0.17 1.46 1.43 -1.18 -5.02 118.68 110.98 1t3v s LEU 108 Ca -0.09 2.79 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 1t3v s LEU 108 Cb -0.01 -4.30 0.01 0.00 0.03 0.00 0.00 46.19 41.92 1t3v s LEU 108 CO 0.27 -1.65 0.36 -0.75 0.23 0.00 0.00 176.35 174.82 1t3v s LYS 109 N -2.95 1.21 -0.27 1.70 2.47 -1.26 -4.84 119.74 115.80 1t3v s LYS 109 Ca 0.73 -1.05 0.12 0.00 -1.56 0.00 0.00 55.97 54.22 1t3v s LYS 109 Cb -0.41 0.43 0.79 0.00 -1.46 0.00 0.00 37.83 37.17 1t3v s LYS 109 CO 0.48 -0.47 1.76 -0.40 0.16 0.00 0.00 175.35 176.88 1t3v n ASP 110 N -0.25 5.40 0.00 1.43 5.75 -1.26 -3.10 116.55 124.52 1t3v n ASP 110 Ca -0.09 -3.02 0.05 0.00 -0.01 0.00 0.00 54.79 51.73 1t3v n ASP 110 Cb 0.63 -0.71 0.32 0.00 -1.03 0.00 0.00 41.12 40.33 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 0.36 0.00 -3.56 -1.12 3.41 -1.26 -4.63 113.62 106.82 1t3v n SER 111 Ca 0.32 -1.11 -0.27 0.00 -0.26 0.00 0.00 58.87 57.55 1t3v n SER 111 Cb 1.26 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 65.11 1t3v n SER 111 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1t3v n ASP 112 N -0.73 2.90 -2.96 4.04 -0.08 -1.26 -4.86 116.55 113.60 1t3v n ASP 112 Ca 0.08 -3.23 -0.01 0.00 -1.51 0.00 0.00 54.79 50.13 1t3v n ASP 112 Cb 0.04 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 42.81 1t3v n ASP 112 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1t3v s TYR 113 N -1.85 -1.39 0.00 -0.67 5.04 -1.26 -5.04 117.35 112.17 1t3v s TYR 113 Ca 0.34 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.91 1t3v s TYR 113 Cb 0.08 0.26 0.00 0.00 0.35 0.00 0.00 41.96 42.65 1t3v s TYR 113 CO -0.09 -1.00 0.00 0.39 -1.34 0.00 0.00 175.55 173.51 1t3v n GLU 114 N 3.70 0.00 0.00 4.97 -0.58 -1.26 -5.16 120.64 122.31 1t3v n GLU 114 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1t3v n GLU 114 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 1t3v n GLU 114 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1t3v n VAL 115 N -0.49 0.00 0.11 2.62 0.31 -1.26 -5.12 118.33 114.50 1t3v n VAL 115 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1t3v n VAL 115 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1t3v n VAL 115 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1t3v n HIS 116 N -0.26 -1.98 0.00 3.52 -0.00 -1.26 -5.08 115.22 110.16 1t3v n HIS 116 Ca 0.00 0.37 0.00 0.00 0.46 0.00 0.00 57.72 58.55 1t3v n HIS 116 Cb 0.00 0.69 0.00 0.00 -0.12 0.00 0.00 29.99 30.56 1t3v n HIS 116 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1t3v n ASP 117 N -3.20 0.00 -0.90 0.26 -0.08 -1.26 -5.18 116.55 106.19 1t3v n ASP 117 Ca 0.00 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.29 1t3v n ASP 117 Cb 0.00 0.18 -0.00 0.00 2.34 0.00 0.00 41.12 43.64 1t3v n ASP 117 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1t3v n HIS 118 N -1.90 -1.98 -1.67 -0.67 8.25 -1.26 -4.80 115.22 111.19 1t3v n HIS 118 Ca 0.00 0.11 -0.63 0.00 -0.26 0.00 0.00 57.72 56.93 1t3v n HIS 118 Cb 0.00 0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.07 1t3v n HIS 118 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1t3v n HIS 119 N -1.90 1.46 -3.23 4.41 -0.00 -1.26 -4.93 115.22 109.78 1t3v n HIS 119 Ca 0.00 1.03 -0.40 0.00 -0.00 0.00 0.00 57.72 58.35 1t3v n HIS 119 Cb 0.04 -2.22 -0.07 0.00 -0.00 0.00 0.00 29.99 27.73 1t3v n HIS 119 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1t3v s HIS 120 N 2.08 3.26 0.54 1.57 2.46 -1.26 -5.06 115.29 118.88 1t3v s HIS 120 Ca 0.99 0.62 -0.21 0.00 0.47 0.00 0.00 55.06 56.93 1t3v s HIS 120 Cb -1.36 -2.74 -0.05 0.00 -0.13 0.00 0.00 32.58 28.30 1t3v s HIS 120 CO 0.71 -0.30 1.29 -1.58 -2.47 0.00 0.00 174.74 172.39 1t3v s HIS 121 N 2.33 2.43 -0.56 3.88 5.65 -1.26 -4.97 115.29 122.78 1t3v s HIS 121 Ca 0.21 1.44 -0.27 0.00 0.25 0.00 0.00 55.06 56.69 1t3v s HIS 121 Cb -0.16 -3.65 0.03 0.00 -1.18 0.00 0.00 32.58 27.62 1t3v s HIS 121 CO 0.09 -2.48 1.13 -1.83 -0.65 0.00 0.00 174.74 171.01 1t3v s GLU 122 N -2.94 3.50 -0.07 2.88 1.03 -1.26 -4.99 118.70 116.85 1t3v s GLU 122 Ca 0.71 0.19 -0.18 0.00 0.03 0.00 0.00 54.97 55.72 1t3v s GLU 122 Cb -0.36 -4.01 0.04 0.00 -0.80 0.00 0.00 34.13 29.00 1t3v s GLU 122 CO 0.42 -1.60 0.41 -3.38 -1.33 0.00 0.00 175.26 169.78 1t3v s HIS 123 N 4.69 -0.36 0.00 4.83 -3.43 -1.26 -5.37 115.29 114.40 1t3v s HIS 123 Ca 0.41 0.71 0.00 0.00 -0.80 0.00 0.00 55.06 55.38 1t3v s HIS 123 Cb -0.08 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 31.24 1t3v s HIS 123 CO 0.25 -0.38 0.00 1.58 -2.00 0.00 0.00 174.74 174.19