#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3v s ILE 2 N 0.00 1.60 -0.30 3.17 1.01 -1.26 -0.95 121.20 124.47 1t3v s ILE 2 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1t3v s ILE 2 Cb 0.00 -1.39 0.08 0.00 0.01 0.00 0.00 42.46 41.16 1t3v s ILE 2 CO 0.00 0.46 -0.01 -0.63 0.00 0.00 0.00 174.94 174.76 1t3v s ILE 3 N 0.28 1.98 0.07 2.92 1.01 0.51 -0.99 121.20 126.98 1t3v s ILE 3 Ca -0.11 -1.86 -0.28 0.00 0.00 0.00 0.00 60.65 58.40 1t3v s ILE 3 Cb -0.15 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 1t3v s ILE 3 CO 0.05 -0.37 0.88 0.00 0.00 0.00 0.00 174.94 175.50 1t3v s ALA 4 N 1.11 3.29 -0.14 9.38 0.00 -0.24 -0.90 121.76 134.26 1t3v s ALA 4 Ca 0.02 0.44 -0.00 0.00 0.00 0.00 0.00 51.96 52.43 1t3v s ALA 4 Cb -0.19 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 19.79 1t3v s ALA 4 CO -0.09 -0.02 -0.09 0.42 0.00 0.00 0.00 175.76 175.99 1t3v s ILE 5 N 0.12 1.23 0.10 0.00 1.01 0.08 -0.42 121.20 123.31 1t3v s ILE 5 Ca 0.44 -0.52 -0.31 0.00 0.00 0.00 0.00 60.65 60.26 1t3v s ILE 5 Cb -0.22 -1.27 -0.08 0.00 0.01 0.00 0.00 42.46 40.90 1t3v s ILE 5 CO 0.27 0.31 1.56 -2.16 0.00 0.00 0.00 174.94 174.92 1t3v s PRO 6 N 1.61 4.23 0.23 2.79 0.04 -1.26 -0.58 135.00 142.06 1t3v s PRO 6 Ca 0.03 2.26 0.11 0.00 0.04 0.00 0.00 61.00 63.45 1t3v s PRO 6 Cb -0.14 -3.42 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 1t3v s PRO 6 CO -0.09 -0.64 -0.21 0.14 0.04 0.00 0.00 177.00 176.25 1t3v s VAL 7 N 1.96 2.30 0.15 -0.36 -7.23 -0.59 -0.19 120.40 116.44 1t3v s VAL 7 Ca 0.70 -2.21 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1t3v s VAL 7 Cb -0.40 -2.17 -0.16 0.00 0.56 0.00 0.00 36.38 34.21 1t3v s VAL 7 CO 0.31 -0.31 1.34 -1.28 -0.31 0.00 0.00 175.10 174.85 1t3v h SER 8 N 2.72 0.41 -5.39 4.85 0.87 -1.36 -3.18 113.55 112.46 1t3v h SER 8 Ca -0.42 -0.33 -0.14 0.00 -1.23 0.00 0.00 61.79 59.67 1t3v h SER 8 Cb 1.23 -0.13 -0.12 0.00 -0.44 0.00 0.00 62.40 62.95 1t3v h SER 8 CO 0.55 1.12 -0.36 -1.61 -0.53 0.00 0.00 176.83 176.00 1t3v s GLU 9 N -3.26 1.34 -0.99 2.24 0.41 -1.26 -4.73 118.70 112.46 1t3v s GLU 9 Ca -0.05 -1.40 -0.21 0.00 -0.41 0.00 0.00 54.97 52.90 1t3v s GLU 9 Cb 0.09 0.37 0.08 0.00 -1.78 0.00 0.00 34.13 32.90 1t3v s GLU 9 CO 0.85 -0.50 1.32 0.54 -0.49 0.00 0.00 175.26 176.97 1t3v s ASN 10 N -3.07 6.56 -0.26 -0.19 4.22 -1.26 -4.52 114.94 116.42 1t3v s ASN 10 Ca 0.29 -1.72 0.14 0.00 -2.14 0.00 0.00 52.86 49.43 1t3v s ASN 10 Cb 0.03 -2.50 0.48 0.00 1.28 0.00 0.00 41.25 40.54 1t3v s ASN 10 CO 0.09 -1.31 1.16 0.54 -2.04 0.00 0.00 177.10 175.54 1t3v n ARG 11 N 7.88 2.59 0.00 3.55 1.74 -1.26 -4.99 116.66 126.18 1t3v n ARG 11 Ca 0.29 -3.76 0.00 0.00 -0.77 0.00 0.00 57.85 53.62 1t3v n ARG 11 Cb 0.50 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 -0.64 1.00 0.00 -0.13 0.00 -1.26 -1.26 105.19 102.90 1t3v n GLY 12 Ca 0.26 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 2.47 0.00 1.61 5.02 -1.26 -4.67 118.16 121.32 1t3v n LYS 13 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1t3v n LYS 13 Cb 0.00 -0.98 0.26 0.00 -0.02 0.00 0.00 35.03 34.29 1t3v n LYS 13 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1t3v n ASP 14 N -2.12 0.00 -4.42 4.39 8.00 -0.39 -3.09 116.55 118.94 1t3v n ASP 14 Ca 0.00 0.10 -0.52 0.00 0.71 0.00 0.00 54.79 55.09 1t3v n ASP 14 Cb 0.48 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 41.24 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 -1.26 1.88 -4.75 -2.24 7.64 -1.09 -4.82 113.62 108.98 1t3v n SER 15 Ca 0.05 0.43 -0.40 0.00 1.01 0.00 0.00 58.87 59.96 1t3v n SER 15 Cb 0.08 -1.21 -0.05 0.00 -1.01 0.00 0.00 64.21 62.02 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 6.28 4.61 0.27 1.43 0.04 -1.26 -2.28 135.00 144.07 1t3v s PRO 16 Ca 1.11 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 63.07 1t3v s PRO 16 Cb -0.95 -3.32 -0.12 0.00 0.04 0.00 0.00 34.50 30.15 1t3v s PRO 16 CO 0.51 0.41 1.60 1.51 0.04 0.00 0.00 177.00 181.07 1t3v n ILE 17 N 2.16 0.80 -1.45 0.56 3.06 -0.67 -1.09 119.36 122.72 1t3v n ILE 17 Ca -0.03 -0.20 -0.29 0.00 -2.50 0.00 0.00 62.75 59.73 1t3v n ILE 17 Cb 0.49 -1.89 0.13 0.00 0.54 0.00 0.00 39.64 38.91 1t3v n ILE 17 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1t3v s SER 18 N 0.60 3.67 0.17 9.51 0.15 0.73 -4.61 113.70 123.93 1t3v s SER 18 Ca 0.67 1.15 0.22 0.00 0.70 0.00 0.00 55.95 58.69 1t3v s SER 18 Cb -0.52 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1t3v s SER 18 CO 0.45 -2.47 0.97 -0.62 1.20 0.00 0.00 173.24 172.77 1t3v n GLU 19 N -3.74 0.61 -3.64 5.44 -0.58 -1.26 -4.36 120.64 113.11 1t3v n GLU 19 Ca 0.06 0.11 -0.16 0.00 -0.42 0.00 0.00 57.16 56.75 1t3v n GLU 19 Cb 0.58 -1.80 -0.05 0.00 -0.57 0.00 0.00 31.44 29.59 1t3v n GLU 19 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1t3v n HIS 20 N -2.67 -0.12 0.00 -0.32 8.25 -1.26 -0.11 115.22 118.98 1t3v n HIS 20 Ca -0.02 -1.87 0.00 0.00 -0.26 0.00 0.00 57.72 55.57 1t3v n HIS 20 Cb 0.59 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.76 1t3v n HIS 20 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1t3v n PHE 21 N -0.58 0.00 0.40 4.41 7.35 -1.26 -4.56 117.46 123.22 1t3v n PHE 21 Ca -0.01 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.72 1t3v n PHE 21 Cb 0.43 0.01 0.21 0.00 0.35 0.00 0.00 39.48 40.48 1t3v n PHE 21 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1t3v n GLY 22 N 3.00 -0.56 2.71 7.13 0.00 -1.26 -1.28 105.19 114.92 1t3v n GLY 22 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.28 1.30 -2.22 1.61 0.00 -1.26 -4.93 116.66 109.87 1t3v n ARG 23 Ca 0.04 -2.58 -0.39 0.00 -0.00 0.00 0.00 57.85 54.92 1t3v n ARG 23 Cb 0.07 -0.71 -0.02 0.00 -0.00 0.00 0.00 32.46 31.80 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 -1.81 3.20 -0.60 2.89 0.00 -0.40 -4.97 121.76 120.07 1t3v s ALA 24 Ca 0.23 1.05 0.25 0.00 0.00 0.00 0.00 51.96 53.50 1t3v s ALA 24 Cb 0.41 -3.41 0.73 0.00 0.00 0.00 0.00 23.12 20.85 1t3v s ALA 24 CO -0.04 -0.61 1.74 -1.00 0.00 0.00 0.00 175.76 175.85 1t3v h PRO 25 N 2.70 0.00 -3.40 0.00 0.13 -1.85 -3.42 132.00 126.17 1t3v h PRO 25 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1t3v h PRO 25 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.21 1t3v h PRO 25 CO 0.63 0.00 -0.27 0.71 -0.23 0.00 0.00 178.00 178.84 1t3v s TYR 26 N -3.17 -0.06 -0.19 1.56 2.02 -1.20 -1.68 117.35 114.63 1t3v s TYR 26 Ca 0.09 -0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 1t3v s TYR 26 Cb 0.10 0.08 0.04 0.00 -0.40 0.00 0.00 41.96 41.78 1t3v s TYR 26 CO 0.60 -0.52 -0.07 -0.06 -1.57 0.00 0.00 175.55 173.93 1t3v s PHE 27 N -2.81 2.09 -1.06 2.71 0.08 0.19 -1.54 117.98 117.65 1t3v s PHE 27 Ca -0.03 -1.38 -0.22 0.00 0.12 0.00 0.00 56.93 55.41 1t3v s PHE 27 Cb 0.00 -1.49 0.05 0.00 -0.57 0.00 0.00 43.02 41.02 1t3v s PHE 27 CO -0.05 -0.69 1.50 0.00 -0.10 0.00 0.00 175.22 175.87 1t3v s ALA 28 N 1.50 2.80 -0.90 5.36 0.00 0.26 -0.64 121.76 130.14 1t3v s ALA 28 Ca -0.01 -2.36 -0.24 0.00 0.00 0.00 0.00 51.96 49.35 1t3v s ALA 28 Cb -0.16 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.42 1t3v s ALA 28 CO -0.08 -3.58 1.65 -0.06 0.00 0.00 0.00 175.76 173.70 1t3v s PHE 29 N 4.89 2.14 0.41 0.00 0.08 0.33 -0.74 117.98 125.09 1t3v s PHE 29 Ca 0.47 -0.03 -0.22 0.00 0.12 0.00 0.00 56.93 57.27 1t3v s PHE 29 Cb 0.01 -4.39 -0.11 0.00 -0.57 0.00 0.00 43.02 37.96 1t3v s PHE 29 CO -0.07 -1.93 0.95 0.08 -0.10 0.00 0.00 175.22 174.15 1t3v s VAL 30 N 7.36 4.34 0.00 -0.44 1.01 -0.08 -0.95 120.40 131.65 1t3v s VAL 30 Ca 0.56 1.56 0.00 0.00 0.00 0.00 0.00 61.98 64.10 1t3v s VAL 30 Cb -0.05 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1t3v s VAL 30 CO -0.00 -0.22 0.00 0.29 0.00 0.00 0.00 175.10 175.17 1t3v n LYS 31 N -0.38 1.29 -3.79 2.72 5.02 -0.34 -0.36 118.16 122.32 1t3v n LYS 31 Ca 0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 1t3v n LYS 31 Cb 0.53 0.00 -0.13 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 0.95 -0.02 0.00 -0.18 1.01 -0.13 -4.45 120.40 117.59 1t3v s VAL 32 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1t3v s VAL 32 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.12 1t3v s VAL 32 CO 0.00 0.02 0.00 1.17 0.00 0.00 0.00 175.10 176.29 1t3v n LYS 33 N 3.44 3.67 0.22 2.72 3.00 0.67 -3.70 118.16 128.19 1t3v n LYS 33 Ca -0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 57.98 1t3v n LYS 33 Cb 0.56 0.00 -0.08 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 -0.51 0.00 3.14 -0.73 -2.01 -3.42 115.58 112.05 1t3v h ASN 34 Ca 0.00 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1t3v h ASN 34 Cb 0.00 0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.73 1t3v h ASN 34 CO 0.00 -0.34 -0.03 0.59 -0.37 0.00 0.00 177.43 177.28 1t3v n ASN 35 N -5.34 0.00 -4.73 1.15 5.03 -1.26 -5.10 115.26 105.01 1t3v n ASN 35 Ca -0.10 -1.07 -0.26 0.00 0.87 0.00 0.00 54.58 54.02 1t3v n ASN 35 Cb 0.25 -0.01 -0.07 0.00 -1.02 0.00 0.00 39.78 38.92 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1t3v s ALA 36 N 0.00 3.63 0.63 5.41 0.00 -1.26 -5.03 121.76 125.14 1t3v s ALA 36 Ca 0.00 -1.94 0.33 0.00 0.00 0.00 0.00 51.96 50.35 1t3v s ALA 36 Cb 0.00 -0.28 1.83 0.00 0.00 0.00 0.00 23.12 24.66 1t3v s ALA 36 CO 0.00 -0.17 2.09 0.82 0.00 0.00 0.00 175.76 178.51 1t3v h ILE 37 N 1.42 0.19 0.00 0.00 5.03 -1.94 0.19 117.51 122.41 1t3v h ILE 37 Ca -0.43 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.31 1t3v h ILE 37 Cb 1.26 0.81 0.00 0.00 -3.03 0.00 0.00 36.82 35.86 1t3v h ILE 37 CO 0.71 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 178.18 1t3v n ALA 38 N -2.12 0.00 -3.45 1.87 0.00 -1.26 -3.01 120.51 112.54 1t3v n ALA 38 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1t3v n ALA 38 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.36 -0.46 -0.10 0.00 2.15 -1.26 -4.95 116.67 111.69 1t3v s ASP 39 Ca 0.00 -0.17 0.02 0.00 0.43 0.00 0.00 52.55 52.83 1t3v s ASP 39 Cb 0.00 0.61 0.02 0.00 -0.30 0.00 0.00 42.92 43.24 1t3v s ASP 39 CO 0.00 -1.03 -0.13 -0.63 -0.17 0.00 0.00 175.17 173.21 1t3v s ILE 40 N -3.79 1.33 -0.53 4.11 -1.09 -1.26 -1.20 121.20 118.77 1t3v s ILE 40 Ca 0.04 -0.54 -0.03 0.00 -2.23 0.00 0.00 60.65 57.88 1t3v s ILE 40 Cb -0.02 -1.23 0.14 0.00 -1.58 0.00 0.00 42.46 39.78 1t3v s ILE 40 CO -0.09 0.41 0.33 -0.44 -1.23 0.00 0.00 174.94 173.92 1t3v s SER 41 N 0.99 5.23 -0.94 3.58 0.01 -0.12 -5.00 113.70 117.44 1t3v s SER 41 Ca -0.07 -2.49 -0.17 0.00 1.31 0.00 0.00 55.95 54.53 1t3v s SER 41 Cb -0.15 -1.84 0.15 0.00 0.21 0.00 0.00 66.02 64.40 1t3v s SER 41 CO -0.01 -0.45 1.09 0.54 0.41 0.00 0.00 173.24 174.83 1t3v s VAL 42 N 0.47 4.95 -0.11 3.43 0.11 -1.26 -0.51 120.40 127.48 1t3v s VAL 42 Ca 0.13 -1.88 -0.11 0.00 -2.93 0.00 0.00 61.98 57.19 1t3v s VAL 42 Cb -0.22 -4.73 -0.05 0.00 -1.53 0.00 0.00 36.38 29.86 1t3v s VAL 42 CO -0.04 -1.43 0.24 -1.61 -3.33 0.00 0.00 175.10 168.94 1t3v s GLU 43 N 2.03 3.84 0.34 1.54 2.02 0.18 -4.94 118.70 123.71 1t3v s GLU 43 Ca 0.31 0.04 -0.26 0.00 0.02 0.00 0.00 54.97 55.07 1t3v s GLU 43 Cb -0.06 -3.28 -0.09 0.00 0.10 0.00 0.00 34.13 30.80 1t3v s GLU 43 CO -0.08 0.57 1.04 -1.21 0.02 0.00 0.00 175.26 175.60 1t3v s GLU 44 N -0.51 4.41 -0.31 1.61 2.02 -1.26 -0.63 118.70 124.02 1t3v s GLU 44 Ca 0.16 1.57 -0.29 0.00 0.02 0.00 0.00 54.97 56.44 1t3v s GLU 44 Cb -0.13 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.29 1t3v s GLU 44 CO 0.05 0.07 1.10 -0.80 0.02 0.00 0.00 175.26 175.70 1t3v s ASN 45 N -1.34 6.92 0.49 -0.19 0.01 -0.68 -4.85 114.94 115.30 1t3v s ASN 45 Ca 0.52 1.08 0.28 0.00 -0.71 0.00 0.00 52.86 54.02 1t3v s ASN 45 Cb -0.25 -2.54 1.15 0.00 0.41 0.00 0.00 41.25 40.02 1t3v s ASN 45 CO 0.31 -0.89 1.92 1.55 -1.51 0.00 0.00 177.10 178.48 1t3v h PRO 46 N 8.17 0.00 -0.68 -0.60 0.13 -1.94 -3.16 132.00 133.92 1t3v h PRO 46 Ca -0.21 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.44 1t3v h PRO 46 Cb 1.06 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.77 1t3v h PRO 46 CO 1.03 0.14 -0.87 1.28 -0.23 0.00 0.00 178.00 179.35 1t3v n LEU 47 N -3.34 4.26 -0.13 1.56 7.99 -1.26 -4.84 117.00 121.24 1t3v n LEU 47 Ca -0.00 -4.41 -0.05 0.00 -0.01 0.00 0.00 56.01 51.55 1t3v n LEU 47 Cb 0.36 -0.19 0.04 0.00 -0.11 0.00 0.00 43.42 43.52 1t3v n LEU 47 CO 0.31 1.89 0.95 0.00 -1.51 0.00 0.00 177.39 179.03 1t3v h ALA 48 N 2.25 0.50 0.00 -1.18 0.00 -1.80 -3.36 119.26 115.67 1t3v h ALA 48 Ca 0.27 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1t3v h ALA 48 Cb 1.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1t3v h ALA 48 CO 0.64 -0.24 -0.39 0.00 0.00 0.00 0.00 179.25 179.25 1t3v n GLN 49 N -5.02 0.00 -1.88 0.00 10.64 -1.26 -4.59 117.38 115.27 1t3v n GLN 49 Ca 0.03 -0.85 -0.41 0.00 -1.83 0.00 0.00 57.00 53.94 1t3v n GLN 49 Cb 0.16 -0.45 -0.02 0.00 -0.86 0.00 0.00 30.24 29.07 1t3v n GLN 49 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1t3v n ASP 50 N 0.00 3.78 -2.43 2.61 -0.08 -1.26 -4.56 116.55 114.61 1t3v n ASP 50 Ca 0.00 -2.81 -0.14 0.00 -1.51 0.00 0.00 54.79 50.33 1t3v n ASP 50 Cb 0.66 -1.58 -0.01 0.00 2.34 0.00 0.00 41.12 42.53 1t3v n ASP 50 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1t3v n HIS 51 N 8.04 -1.33 -4.29 -0.67 -0.00 -1.26 -0.79 115.22 114.92 1t3v n HIS 51 Ca 0.50 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.87 1t3v n HIS 51 Cb 0.42 -2.99 -0.08 0.00 -0.00 0.00 0.00 29.99 27.34 1t3v n HIS 51 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 1t3v n VAL 52 N -3.50 -0.48 -0.73 3.57 0.24 -1.26 -4.95 118.33 111.22 1t3v n VAL 52 Ca -0.17 -0.24 -0.31 0.00 -2.04 0.00 0.00 64.34 61.59 1t3v n VAL 52 Cb 0.63 -0.71 0.17 0.00 -1.47 0.00 0.00 33.84 32.46 1t3v n VAL 52 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1t3v s HIS 53 N -3.73 1.66 0.43 6.34 5.04 0.03 -4.90 115.29 120.17 1t3v s HIS 53 Ca 0.39 1.68 0.15 0.00 -1.54 0.00 0.00 55.06 55.73 1t3v s HIS 53 Cb -0.22 -3.28 1.00 0.00 0.04 0.00 0.00 32.58 30.11 1t3v s HIS 53 CO 0.95 -2.89 1.97 0.78 -2.34 0.00 0.00 174.74 173.21 1t3v h GLY 54 N -1.93 0.00 1.18 1.59 0.00 -1.92 -3.35 103.07 98.64 1t3v h GLY 54 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1t3v h GLY 54 CO 0.44 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.98 1t3v n ALA 55 N -2.48 2.50 -0.28 3.60 0.00 -1.26 -4.16 120.51 118.43 1t3v n ALA 55 Ca -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 1t3v n ALA 55 Cb 0.27 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 0.10 0.00 0.00 2.07 -1.88 -0.61 116.25 115.93 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 0.08 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1t3v h VAL 56 CO 0.00 0.00 -0.84 -0.65 0.02 0.00 0.00 177.57 176.10 1t3v h PRO 57 N -0.09 0.09 -0.71 1.57 0.11 -1.94 -3.22 132.00 127.81 1t3v h PRO 57 Ca 0.28 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 1t3v h PRO 57 Cb 0.57 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 1t3v h PRO 57 CO -0.82 0.87 0.32 -0.97 -0.21 0.00 0.00 178.00 177.20 1t3v h ASN 58 N 0.05 0.95 0.01 -2.05 -0.00 -1.52 -1.56 115.58 111.46 1t3v h ASN 58 Ca -0.02 -0.15 0.01 0.00 -0.00 0.00 0.00 56.30 56.14 1t3v h ASN 58 Cb 1.46 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 39.52 1t3v h ASN 58 CO 0.12 0.83 -0.20 0.15 -0.00 0.00 0.00 177.43 178.33 1t3v h PHE 59 N 1.00 -0.59 0.00 0.67 3.57 -1.18 -1.72 116.94 118.69 1t3v h PHE 59 Ca 0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1t3v h PHE 59 Cb 0.15 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1t3v h PHE 59 CO 0.01 -0.22 0.00 1.33 -2.23 0.00 0.00 178.31 177.20 1t3v n VAL 60 N -3.60 1.19 0.01 1.41 0.24 -1.06 -0.95 118.33 115.57 1t3v n VAL 60 Ca -0.03 0.30 0.11 0.00 -2.04 0.00 0.00 64.34 62.68 1t3v n VAL 60 Cb 0.15 -1.28 -0.13 0.00 -1.47 0.00 0.00 33.84 31.10 1t3v n VAL 60 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1t3v n LYS 61 N -1.31 0.65 0.26 7.34 4.01 -0.61 -3.34 118.16 125.16 1t3v n LYS 61 Ca 0.00 -0.13 0.12 0.00 -0.51 0.00 0.00 58.31 57.80 1t3v n LYS 61 Cb 0.01 -1.59 0.73 0.00 -0.51 0.00 0.00 35.03 33.67 1t3v n LYS 61 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 1t3v h GLU 62 N 0.00 0.00 -1.39 1.97 4.11 -0.19 -3.34 114.58 115.75 1t3v h GLU 62 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.19 1t3v h GLU 62 Cb 1.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.14 1t3v h GLU 62 CO 0.00 0.11 0.30 1.63 0.07 0.00 0.00 179.01 181.12 1t3v n LYS 63 N -3.71 1.57 -0.35 1.06 4.76 -1.21 -4.82 118.16 115.47 1t3v n LYS 63 Ca -0.02 -1.20 0.00 0.00 -2.87 0.00 0.00 58.31 54.22 1t3v n LYS 63 Cb 0.22 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 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 0.32 0.00 3.87 0.72 0.00 -1.25 -4.90 105.19 103.95 1t3v n GLY 64 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.48 3.12 0.00 4.61 0.00 -1.26 -4.85 121.76 122.90 1t3v s ALA 65 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1t3v s ALA 65 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1t3v s ALA 65 CO 0.00 -0.53 0.00 0.39 0.00 0.00 0.00 175.76 175.62 1t3v n GLU 66 N -2.38 3.43 -4.12 0.00 1.02 -1.11 -4.92 120.64 112.57 1t3v n GLU 66 Ca 0.06 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.06 1t3v n GLU 66 Cb 0.54 -0.71 -0.11 0.00 -0.02 0.00 0.00 31.44 31.14 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 -1.29 2.34 -0.12 -4.62 1.98 -0.16 -1.87 118.68 114.94 1t3v s LEU 67 Ca 0.00 -0.69 -0.10 0.00 -2.89 0.00 0.00 54.13 50.44 1t3v s LEU 67 Cb 0.00 -0.24 0.03 0.00 0.66 0.00 0.00 46.19 46.64 1t3v s LEU 67 CO 0.00 -0.24 0.31 -0.69 -1.89 0.00 0.00 176.35 173.84 1t3v s VAL 68 N -1.96 -0.00 -0.20 1.68 1.01 -0.71 -1.07 120.40 119.14 1t3v s VAL 68 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1t3v s VAL 68 Cb -0.06 -0.43 0.05 0.00 0.00 0.00 0.00 36.38 35.94 1t3v s VAL 68 CO -0.00 0.01 -0.01 -0.63 0.00 0.00 0.00 175.10 174.46 1t3v s ILE 69 N 0.28 0.97 0.36 2.22 1.01 0.44 -0.90 121.20 125.58 1t3v s ILE 69 Ca -0.01 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1t3v s ILE 69 Cb -0.03 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 1t3v s ILE 69 CO -0.01 -0.09 0.14 1.33 0.00 0.00 0.00 174.94 176.31 1t3v n VAL 70 N 4.89 0.00 0.00 2.92 0.24 0.06 -4.24 118.33 122.20 1t3v n VAL 70 Ca -0.10 -2.12 0.00 0.00 -2.04 0.00 0.00 64.34 60.07 1t3v n VAL 70 Cb 0.46 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.81 0.00 -1.78 7.34 1.74 -1.26 -1.14 116.66 120.76 1t3v n ARG 71 Ca -0.05 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.69 1t3v n ARG 71 Cb 0.55 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.96 1t3v n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t3v n GLY 72 N 4.68 4.85 3.62 -0.13 0.00 0.84 -4.04 105.19 115.01 1t3v n GLY 72 Ca 0.00 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 1t3v n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1t3v s ILE 73 N -1.67 2.22 0.23 -0.61 2.07 -1.26 -4.32 121.20 117.86 1t3v s ILE 73 Ca 0.56 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.90 1t3v s ILE 73 Cb 0.27 -2.34 -0.05 0.00 0.13 0.00 0.00 42.46 40.47 1t3v s ILE 73 CO -0.15 -0.09 0.03 -0.83 -1.91 0.00 0.00 174.94 171.98 1t3v s GLY 74 N -3.01 1.57 0.39 1.50 0.00 -1.26 -4.99 107.32 101.52 1t3v s GLY 74 Ca 0.66 -1.78 0.15 0.00 0.00 0.00 0.00 44.72 43.75 1t3v s GLY 74 CO 0.60 -1.63 1.83 -0.09 0.00 0.00 0.00 173.10 173.81 1t3v h ARG 75 N 2.47 0.49 -0.41 2.90 9.65 -1.99 -1.26 114.38 126.22 1t3v h ARG 75 Ca -0.38 -0.03 0.09 0.00 -1.10 0.00 0.00 59.98 58.56 1t3v h ARG 75 Cb 1.23 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.67 1t3v h ARG 75 CO 0.64 0.33 0.29 -0.09 2.80 0.00 0.00 179.97 183.93 1t3v h ARG 76 N 0.51 0.15 0.08 0.20 2.43 -1.98 -0.20 114.38 115.57 1t3v h ARG 76 Ca 0.50 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 59.33 1t3v h ARG 76 Cb 1.11 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1t3v h ARG 76 CO -0.23 0.10 -1.88 0.00 -1.51 0.00 0.00 179.97 176.45 1t3v n ALA 77 N -2.57 1.13 -0.33 2.80 0.00 -0.48 -2.99 120.51 118.07 1t3v n ALA 77 Ca 0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 53.44 52.82 1t3v n ALA 77 Cb 0.37 -0.76 0.03 0.00 0.00 0.00 0.00 19.45 19.09 1t3v n ALA 77 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1t3v h ILE 78 N 0.04 0.05 0.00 0.00 5.03 -1.47 -1.16 117.51 119.99 1t3v h ILE 78 Ca -0.37 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.37 1t3v h ILE 78 Cb 2.03 0.05 0.00 0.00 -3.03 0.00 0.00 36.82 35.87 1t3v h ILE 78 CO 0.09 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.56 1t3v n ALA 79 N -3.37 1.21 -0.07 1.87 0.00 -0.11 -0.70 120.51 119.34 1t3v n ALA 79 Ca 0.08 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 1t3v n ALA 79 Cb 0.38 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 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 0.03 -0.66 0.00 0.00 -1.12 -3.33 119.26 116.27 1t3v h ALA 80 Ca 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.54 1t3v h ALA 80 Cb 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1t3v h ALA 80 CO 0.00 0.10 0.43 0.74 0.00 0.00 0.00 179.25 180.52 1t3v h PHE 81 N -1.00 0.67 -1.02 0.00 0.04 -1.03 0.80 116.94 115.41 1t3v h PHE 81 Ca -0.04 0.02 0.27 0.00 2.80 0.00 0.00 57.97 61.02 1t3v h PHE 81 Cb 0.71 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.58 1t3v h PHE 81 CO 0.15 0.36 0.70 0.93 -0.60 0.00 0.00 178.31 179.85 1t3v h GLU 82 N 0.67 0.20 0.00 1.51 4.39 -1.07 0.86 114.58 121.14 1t3v h GLU 82 Ca 0.28 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1t3v h GLU 82 Cb 0.25 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1t3v h GLU 82 CO -0.09 0.13 0.00 0.00 -1.16 0.00 0.00 179.01 177.90 1t3v h ALA 83 N 1.55 1.00 0.00 3.43 0.00 -0.93 -3.15 119.26 121.16 1t3v h ALA 83 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1t3v h ALA 83 Cb 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1t3v h ALA 83 CO -0.14 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1t3v n MET 84 N -2.92 -0.27 -3.39 0.00 -0.00 -0.27 -5.02 117.12 105.25 1t3v n MET 84 Ca -0.01 -0.33 -0.21 0.00 -0.00 0.00 0.00 57.70 57.15 1t3v n MET 84 Cb 0.15 -0.74 0.07 0.00 -0.00 0.00 0.00 33.22 32.69 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 -0.03 -0.40 3.65 3.17 0.00 0.09 -4.97 105.19 106.71 1t3v n GLY 85 Ca 0.00 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.26 4.55 0.27 1.61 1.01 -0.04 -4.97 120.40 119.57 1t3v s VAL 86 Ca 0.48 1.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.99 1t3v s VAL 86 Cb -0.21 -4.35 -0.09 0.00 0.00 0.00 0.00 36.38 31.72 1t3v s VAL 86 CO 0.60 -0.36 1.11 -0.75 0.00 0.00 0.00 175.10 175.70 1t3v s LYS 87 N 3.51 4.62 -0.69 2.72 2.20 -0.78 -4.49 119.74 126.82 1t3v s LYS 87 Ca 0.46 1.81 0.05 0.00 -0.36 0.00 0.00 55.97 57.93 1t3v s LYS 87 Cb -0.14 -3.19 0.17 0.00 -1.51 0.00 0.00 37.83 33.16 1t3v s LYS 87 CO 0.12 0.18 0.49 0.28 -0.36 0.00 0.00 175.35 176.07 1t3v n VAL 88 N 1.33 1.52 -2.18 4.02 0.31 -1.26 -1.75 118.33 120.32 1t3v n VAL 88 Ca -0.01 -4.81 -0.42 0.00 -0.01 0.00 0.00 64.34 59.10 1t3v n VAL 88 Cb 0.45 -2.16 -0.03 0.00 -0.91 0.00 0.00 33.84 31.19 1t3v n VAL 88 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1t3v s ILE 89 N -1.42 3.24 -0.09 2.52 1.01 -0.08 -4.60 121.20 121.77 1t3v s ILE 89 Ca 0.26 0.94 -0.15 0.00 0.00 0.00 0.00 60.65 61.69 1t3v s ILE 89 Cb -0.03 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.87 1t3v s ILE 89 CO -0.17 0.10 0.38 -1.59 0.00 0.00 0.00 174.94 173.66 1t3v s LYS 90 N 0.61 0.57 0.00 2.79 -2.85 -1.14 -0.76 119.74 118.96 1t3v s LYS 90 Ca 0.62 0.26 0.00 0.00 -1.00 0.00 0.00 55.97 55.85 1t3v s LYS 90 Cb -0.37 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 35.67 1t3v s LYS 90 CO 0.34 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.08 1t3v n GLY 91 N 2.18 1.24 3.61 0.59 0.00 -0.29 -4.80 105.19 107.74 1t3v n GLY 91 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1t3v n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v s ALA 92 N -2.00 0.70 0.05 4.61 0.00 -0.84 -4.98 121.76 119.31 1t3v s ALA 92 Ca 0.00 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.74 1t3v s ALA 92 Cb 0.00 -2.88 0.08 0.00 0.00 0.00 0.00 23.12 20.32 1t3v s ALA 92 CO 0.00 -3.51 0.71 -1.54 0.00 0.00 0.00 175.76 171.42 1t3v s SER 93 N -3.94 -0.53 0.00 0.00 1.04 -1.26 -4.70 113.70 104.31 1t3v s SER 93 Ca 0.71 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.35 1t3v s SER 93 Cb -0.10 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1t3v s SER 93 CO 0.56 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1t3v n GLY 94 N 0.06 -0.69 3.85 7.32 0.00 -1.26 -4.68 105.19 109.78 1t3v n GLY 94 Ca -0.15 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 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 4.57 0.15 2.61 -4.23 -1.26 -1.67 115.64 115.80 1t3v s THR 95 Ca 0.00 1.12 -0.16 0.00 -1.18 0.00 0.00 61.69 61.47 1t3v s THR 95 Cb 0.00 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.16 1t3v s THR 95 CO 0.00 -0.55 1.77 0.58 -0.54 0.00 0.00 174.62 175.87 1t3v h VAL 96 N 1.21 1.14 -0.10 2.29 2.07 -1.45 0.48 116.25 121.89 1t3v h VAL 96 Ca -0.47 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 66.72 1t3v h VAL 96 Cb 1.18 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1t3v h VAL 96 CO 0.62 0.15 0.08 1.05 0.02 0.00 0.00 177.57 179.49 1t3v h GLU 97 N 0.54 0.00 0.00 1.57 4.11 -1.85 0.46 114.58 119.41 1t3v h GLU 97 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.57 1t3v h GLU 97 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1t3v h GLU 97 CO -0.03 0.00 -0.02 0.93 0.07 0.00 0.00 179.01 179.96 1t3v h GLU 98 N 0.00 0.00 -0.65 1.06 3.07 -1.80 -3.22 114.58 113.03 1t3v h GLU 98 Ca 0.05 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 59.01 1t3v h GLU 98 Cb 0.20 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.03 1t3v h GLU 98 CO -0.00 0.30 0.24 0.28 -1.40 0.00 0.00 179.01 178.43 1t3v h VAL 99 N -1.00 0.73 -0.01 3.13 2.07 -0.42 0.72 116.25 121.46 1t3v h VAL 99 Ca -0.00 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1t3v h VAL 99 Cb 0.31 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1t3v h VAL 99 CO -0.00 0.07 -0.03 0.58 0.02 0.00 0.00 177.57 178.21 1t3v h VAL 100 N 0.41 0.92 -0.38 2.57 2.07 -1.10 -2.65 116.25 118.09 1t3v h VAL 100 Ca 0.34 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.91 1t3v h VAL 100 Cb 0.46 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1t3v h VAL 100 CO -0.34 0.00 0.10 -1.13 0.02 0.00 0.00 177.57 176.21 1t3v h ASN 101 N -0.05 0.06 -0.93 0.57 -0.73 -1.08 -1.80 115.58 111.62 1t3v h ASN 101 Ca 0.02 0.06 0.14 0.00 1.87 0.00 0.00 56.30 58.38 1t3v h ASN 101 Cb 0.07 0.06 -0.08 0.00 0.27 0.00 0.00 38.32 38.65 1t3v h ASN 101 CO -0.04 0.07 0.59 1.56 -0.37 0.00 0.00 177.43 179.25 1t3v h GLN 102 N 0.23 0.77 0.06 6.67 4.20 -0.61 0.24 115.11 126.67 1t3v h GLN 102 Ca 0.18 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1t3v h GLN 102 Cb 0.19 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1t3v h GLN 102 CO -0.21 0.51 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.51 1t3v h TYR 103 N 0.79 -0.07 -0.95 2.96 3.20 -1.16 0.56 116.97 122.30 1t3v h TYR 103 Ca 0.47 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.45 1t3v h TYR 103 Cb 0.66 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 1t3v h TYR 103 CO -0.00 0.45 0.61 -0.07 -1.64 0.00 0.00 178.16 177.50 1t3v h LEU 104 N -0.64 0.85 0.00 2.82 4.07 -0.58 0.36 115.31 122.19 1t3v h LEU 104 Ca -0.01 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1t3v h LEU 104 Cb 0.55 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1t3v h LEU 104 CO 0.01 0.47 0.00 -1.20 -1.08 0.00 0.00 178.44 176.65 1t3v n SER 105 N -4.57 0.00 0.00 -0.43 7.64 0.78 -4.92 113.62 112.12 1t3v n SER 105 Ca 0.17 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1t3v n SER 105 Cb 0.35 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 1.15 0.76 0.11 0.23 0.00 0.12 -4.93 105.19 102.62 1t3v n GLY 106 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 2.97 0.27 -7.33 1.61 1.08 -1.12 -3.46 115.11 109.13 1t3v h GLN 107 Ca 0.00 -0.46 -0.51 0.00 -1.45 0.00 0.00 58.65 56.24 1t3v h GLN 107 Cb 0.00 0.17 0.12 0.00 -0.05 0.00 0.00 27.48 27.72 1t3v h GLN 107 CO 0.00 1.19 0.32 -0.51 -0.95 0.00 0.00 178.83 178.88 1t3v s LEU 108 N -7.10 2.88 0.02 1.46 1.43 -1.08 -5.00 118.68 111.29 1t3v s LEU 108 Ca -0.05 1.66 -0.16 0.00 -1.03 0.00 0.00 54.13 54.55 1t3v s LEU 108 Cb 0.07 -4.34 0.03 0.00 0.03 0.00 0.00 46.19 41.97 1t3v s LEU 108 CO 0.88 -1.98 0.34 -0.75 0.23 0.00 0.00 176.35 175.07 1t3v s LYS 109 N -4.97 0.79 -0.08 1.70 2.47 -1.26 -4.91 119.74 113.48 1t3v s LYS 109 Ca 0.61 -0.32 0.16 0.00 -1.56 0.00 0.00 55.97 54.86 1t3v s LYS 109 Cb -0.16 0.35 0.56 0.00 -1.46 0.00 0.00 37.83 37.12 1t3v s LYS 109 CO 0.56 -0.24 1.48 -0.40 0.16 0.00 0.00 175.35 176.90 1t3v n ASP 110 N 0.84 4.00 0.00 1.43 5.75 -1.26 -2.88 116.55 124.42 1t3v n ASP 110 Ca -0.20 -2.36 0.00 0.00 -0.01 0.00 0.00 54.79 52.22 1t3v n ASP 110 Cb 0.58 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1t3v n ASP 110 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1t3v n SER 111 N 0.74 0.00 -3.98 -1.12 2.88 -1.26 -4.38 113.62 106.50 1t3v n SER 111 Ca 0.21 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.44 1t3v n SER 111 Cb 0.73 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 64.03 1t3v n SER 111 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1t3v s ASP 112 N -4.00 3.90 0.08 -3.46 1.01 -1.26 -5.11 116.67 107.83 1t3v s ASP 112 Ca 0.00 -1.17 0.07 0.00 0.71 0.00 0.00 52.55 52.16 1t3v s ASP 112 Cb 0.00 -1.27 -0.03 0.00 1.01 0.00 0.00 42.92 42.63 1t3v s ASP 112 CO 0.00 -0.21 -0.19 -0.47 0.21 0.00 0.00 175.17 174.51 1t3v s TYR 113 N 1.33 1.64 0.97 4.23 6.14 -1.26 -5.15 117.35 125.25 1t3v s TYR 113 Ca -0.06 -0.41 -0.11 0.00 0.64 0.00 0.00 57.07 57.12 1t3v s TYR 113 Cb -0.19 -0.92 0.17 0.00 0.42 0.00 0.00 41.96 41.45 1t3v s TYR 113 CO -0.06 0.15 1.09 -1.83 0.64 0.00 0.00 175.55 175.53 1t3v s GLU 114 N -1.71 0.64 -0.02 4.97 -1.05 -1.26 -5.07 118.70 115.19 1t3v s GLU 114 Ca 0.05 1.03 0.02 0.00 -0.15 0.00 0.00 54.97 55.92 1t3v s GLU 114 Cb -0.10 -1.72 0.00 0.00 -0.44 0.00 0.00 34.13 31.88 1t3v s GLU 114 CO 0.03 -2.72 -0.08 0.08 0.95 0.00 0.00 175.26 173.52 1t3v s VAL 115 N -2.73 0.71 0.00 1.83 1.01 -1.26 -5.09 120.40 114.87 1t3v s VAL 115 Ca 0.66 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1t3v s VAL 115 Cb -0.21 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1t3v s VAL 115 CO 0.59 0.23 0.00 1.57 0.00 0.00 0.00 175.10 177.49 1t3v n HIS 116 N 3.32 -0.88 -3.97 5.22 -0.00 -1.26 -5.00 115.22 112.65 1t3v n HIS 116 Ca -0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.15 1t3v n HIS 116 Cb 0.54 0.10 0.02 0.00 -0.00 0.00 0.00 29.99 30.65 1t3v n HIS 116 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1t3v n ASP 117 N -0.96 -4.45 -3.19 0.26 8.00 -1.26 -4.96 116.55 109.99 1t3v n ASP 117 Ca 0.00 -1.18 -0.22 0.00 0.71 0.00 0.00 54.79 54.10 1t3v n ASP 117 Cb 0.00 -1.77 -0.06 0.00 -0.02 0.00 0.00 41.12 39.27 1t3v n ASP 117 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1t3v n HIS 118 N -4.26 0.35 -3.46 1.24 -0.00 -1.26 -5.10 115.22 102.72 1t3v n HIS 118 Ca -0.17 -3.72 -0.12 0.00 0.46 0.00 0.00 57.72 54.17 1t3v n HIS 118 Cb 0.60 -0.40 -0.03 0.00 -0.12 0.00 0.00 29.99 30.05 1t3v n HIS 118 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1t3v s HIS 119 N -1.84 -0.50 -0.13 1.57 5.04 -1.26 -5.12 115.29 113.05 1t3v s HIS 119 Ca 0.38 0.41 -0.11 0.00 -1.54 0.00 0.00 55.06 54.20 1t3v s HIS 119 Cb 0.24 0.53 0.04 0.00 0.04 0.00 0.00 32.58 33.43 1t3v s HIS 119 CO -0.09 -0.72 0.33 -1.58 -2.34 0.00 0.00 174.74 170.34 1t3v s HIS 120 N -3.17 -0.38 0.24 3.88 2.46 -1.26 -5.05 115.29 112.01 1t3v s HIS 120 Ca 0.00 0.92 0.00 0.00 0.47 0.00 0.00 55.06 56.45 1t3v s HIS 120 Cb -0.01 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.57 1t3v s HIS 120 CO -0.09 -0.19 0.00 1.58 -2.47 0.00 0.00 174.74 173.57 1t3v n HIS 121 N 3.10 -3.48 -3.55 3.88 -0.00 -1.26 -5.13 115.22 108.79 1t3v n HIS 121 Ca -0.15 0.82 -0.15 0.00 -0.00 0.00 0.00 57.72 58.24 1t3v n HIS 121 Cb 0.57 2.26 -0.06 0.00 -0.00 0.00 0.00 29.99 32.76 1t3v n HIS 121 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 1t3v s GLU 122 N -1.85 0.91 0.00 1.57 -6.30 -1.26 -5.19 118.70 106.58 1t3v s GLU 122 Ca 0.00 0.37 0.00 0.00 -2.50 0.00 0.00 54.97 52.84 1t3v s GLU 122 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 34.13 34.56 1t3v s GLU 122 CO 0.00 -0.25 0.00 0.72 0.02 0.00 0.00 175.26 175.75 1t3v n HIS 123 N 1.22 0.00 1.15 5.30 8.25 -1.26 -5.21 115.22 124.67 1t3v n HIS 123 Ca -0.16 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.42 1t3v n HIS 123 Cb 0.57 0.00 0.23 0.00 1.12 0.00 0.00 29.99 31.90 1t3v n HIS 123 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70