#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 0.07 -0.29 1.12 1.01 -1.26 -2.34 121.20 119.51 1t3v s ILE 2 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1t3v s ILE 2 Cb 0.00 -0.08 0.08 0.00 0.01 0.00 0.00 42.46 42.47 1t3v s ILE 2 CO 0.00 -0.03 0.02 -0.63 0.00 0.00 0.00 174.94 174.30 1t3v s ILE 3 N -0.16 1.54 0.25 2.92 1.01 0.71 -0.51 121.20 126.96 1t3v s ILE 3 Ca -0.01 -1.58 -0.30 0.00 0.00 0.00 0.00 60.65 58.76 1t3v s ILE 3 Cb -0.01 -2.00 -0.09 0.00 0.01 0.00 0.00 42.46 40.37 1t3v s ILE 3 CO -0.00 -0.41 0.95 0.00 0.00 0.00 0.00 174.94 175.48 1t3v s ALA 4 N 1.33 3.33 -0.20 9.38 0.00 0.01 -1.06 121.76 134.55 1t3v s ALA 4 Ca 0.03 0.62 -0.05 0.00 0.00 0.00 0.00 51.96 52.57 1t3v s ALA 4 Cb -0.18 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 19.79 1t3v s ALA 4 CO -0.12 0.19 0.10 0.42 0.00 0.00 0.00 175.76 176.35 1t3v s ILE 5 N -1.22 -0.05 0.06 0.00 1.01 -0.03 -0.60 121.20 120.37 1t3v s ILE 5 Ca 0.42 -0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.43 1t3v s ILE 5 Cb -0.26 -0.70 -0.06 0.00 0.01 0.00 0.00 42.46 41.46 1t3v s ILE 5 CO 0.32 -0.39 1.27 -2.16 0.00 0.00 0.00 174.94 173.97 1t3v s PRO 6 N 2.11 4.38 0.06 2.79 0.04 -1.26 -1.28 135.00 141.85 1t3v s PRO 6 Ca 0.04 1.86 0.03 0.00 0.04 0.00 0.00 61.00 62.97 1t3v s PRO 6 Cb -0.16 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 1t3v s PRO 6 CO -0.16 -0.34 -0.09 0.14 0.04 0.00 0.00 177.00 176.59 1t3v s VAL 7 N 1.25 0.74 -0.71 -0.36 -7.23 -1.07 -0.57 120.40 112.45 1t3v s VAL 7 Ca 0.61 -1.32 0.24 0.00 -1.81 0.00 0.00 61.98 59.69 1t3v s VAL 7 Cb -0.31 -0.95 0.24 0.00 0.56 0.00 0.00 36.38 35.91 1t3v s VAL 7 CO 0.29 -0.44 1.72 -1.20 -0.31 0.00 0.00 175.10 175.16 1t3v n SER 8 N 1.10 0.51 -3.82 4.85 7.64 -0.46 -3.32 113.62 120.12 1t3v n SER 8 Ca -0.20 0.59 -0.07 0.00 1.01 0.00 0.00 58.87 60.20 1t3v n SER 8 Cb 0.56 -0.71 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 1t3v n SER 8 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1t3v s GLU 9 N -3.16 1.81 -0.07 1.43 2.02 -1.26 -4.84 118.70 114.63 1t3v s GLU 9 Ca 0.08 -1.01 -0.00 0.00 0.02 0.00 0.00 54.97 54.05 1t3v s GLU 9 Cb 0.12 0.61 0.05 0.00 0.10 0.00 0.00 34.13 35.00 1t3v s GLU 9 CO 0.45 -0.83 1.97 0.27 0.02 0.00 0.00 175.26 177.15 1t3v n ASN 10 N -0.50 5.52 -1.61 -0.19 6.94 -1.26 -4.70 115.26 119.45 1t3v n ASN 10 Ca -0.04 -2.54 -0.04 0.00 -0.02 0.00 0.00 54.58 51.94 1t3v n ASN 10 Cb 0.59 -1.10 -0.01 0.00 -2.36 0.00 0.00 39.78 36.91 1t3v n ASN 10 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1t3v n ARG 11 N 1.21 1.22 -0.22 -3.83 1.74 -1.26 -4.96 116.66 110.56 1t3v n ARG 11 Ca 0.07 -0.34 -0.09 0.00 -0.77 0.00 0.00 57.85 56.72 1t3v n ARG 11 Cb 0.52 -1.19 -0.01 0.00 -1.02 0.00 0.00 32.46 30.76 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 1.42 -0.00 4.92 -0.13 0.00 -1.26 -0.41 105.19 109.73 1t3v n GLY 12 Ca 0.09 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.38 0.00 0.02 1.61 5.02 -1.26 -4.56 118.16 119.37 1t3v n LYS 13 Ca 0.03 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.38 1t3v n LYS 13 Cb 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.26 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 4.00 0.08 -3.58 4.39 9.92 0.05 -1.80 116.55 129.62 1t3v n ASP 14 Ca 0.00 0.53 -0.31 0.00 -0.53 0.00 0.00 54.79 54.47 1t3v n ASP 14 Cb 0.00 -0.54 -0.13 0.00 -0.64 0.00 0.00 41.12 39.81 1t3v n ASP 14 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1t3v n SER 15 N -1.60 0.10 -4.71 -2.24 7.64 0.46 -4.70 113.62 108.58 1t3v n SER 15 Ca 0.02 0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 1t3v n SER 15 Cb 0.12 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.59 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 7.01 4.35 0.22 1.43 0.04 -1.26 -1.03 135.00 145.75 1t3v s PRO 16 Ca 1.08 1.94 -0.31 0.00 0.04 0.00 0.00 61.00 63.75 1t3v s PRO 16 Cb -0.97 -3.37 -0.11 0.00 0.04 0.00 0.00 34.50 30.09 1t3v s PRO 16 CO 0.40 -0.42 1.61 -1.50 0.04 0.00 0.00 177.00 177.13 1t3v s ILE 17 N 1.44 2.28 0.97 0.56 2.07 -0.36 -1.36 121.20 126.80 1t3v s ILE 17 Ca 0.62 0.21 -0.13 0.00 -1.41 0.00 0.00 60.65 59.95 1t3v s ILE 17 Cb -0.33 -3.13 0.17 0.00 0.13 0.00 0.00 42.46 39.30 1t3v s ILE 17 CO 0.29 0.02 1.12 -0.55 -1.91 0.00 0.00 174.94 173.91 1t3v s SER 18 N 0.90 2.96 -0.17 4.50 0.15 0.26 -4.65 113.70 117.66 1t3v s SER 18 Ca 0.69 1.04 -0.14 0.00 0.70 0.00 0.00 55.95 58.24 1t3v s SER 18 Cb -0.47 -1.64 -0.09 0.00 -1.71 0.00 0.00 66.02 62.11 1t3v s SER 18 CO 0.37 -2.90 -0.02 -0.33 1.20 0.00 0.00 173.24 171.55 1t3v h GLU 19 N -1.74 0.00 -5.49 5.44 4.39 -1.95 -3.42 114.58 111.81 1t3v h GLU 19 Ca -0.53 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.54 1t3v h GLU 19 Cb 1.33 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.89 1t3v h GLU 19 CO 0.59 0.39 -0.47 -1.01 -1.16 0.00 0.00 179.01 177.35 1t3v s HIS 20 N -2.28 3.52 0.14 4.33 3.76 -1.26 -0.08 115.29 123.42 1t3v s HIS 20 Ca -0.20 0.47 -0.12 0.00 -0.15 0.00 0.00 55.06 55.05 1t3v s HIS 20 Cb 0.04 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.65 1t3v s HIS 20 CO 0.36 0.53 1.54 0.35 -0.85 0.00 0.00 174.74 176.66 1t3v h PHE 21 N 5.75 1.01 0.00 1.40 3.57 -1.91 -3.24 116.94 123.52 1t3v h PHE 21 Ca -0.48 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 60.78 1t3v h PHE 21 Cb 1.19 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1t3v h PHE 21 CO 0.68 1.01 0.00 0.41 -2.23 0.00 0.00 178.31 178.18 1t3v n GLY 22 N -0.14 -0.77 2.63 2.40 0.00 -1.26 -1.91 105.19 106.14 1t3v n GLY 22 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 1t3v n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t3v n ARG 23 N -1.26 1.45 -2.49 1.61 5.12 -1.26 -4.97 116.66 114.86 1t3v n ARG 23 Ca 0.08 -2.88 -0.42 0.00 -1.93 0.00 0.00 57.85 52.70 1t3v n ARG 23 Cb 0.12 -1.03 -0.03 0.00 -1.16 0.00 0.00 32.46 30.36 1t3v n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1t3v s ALA 24 N -2.62 3.36 -0.26 7.54 0.00 -0.80 -4.93 121.76 124.05 1t3v s ALA 24 Ca 0.24 0.81 0.28 0.00 0.00 0.00 0.00 51.96 53.28 1t3v s ALA 24 Cb 0.34 -3.39 0.85 0.00 0.00 0.00 0.00 23.12 20.92 1t3v s ALA 24 CO -0.07 -0.32 1.78 -1.00 0.00 0.00 0.00 175.76 176.16 1t3v h PRO 25 N 6.02 0.00 -3.83 0.00 0.13 -1.89 -3.42 132.00 129.00 1t3v h PRO 25 Ca -0.43 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 1t3v h PRO 25 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1t3v h PRO 25 CO 0.77 0.00 -0.37 0.71 -0.23 0.00 0.00 178.00 178.87 1t3v s TYR 26 N -3.39 0.20 -0.25 1.56 1.51 -1.21 -1.35 117.35 114.43 1t3v s TYR 26 Ca 0.05 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1t3v s TYR 26 Cb 0.08 -0.07 0.07 0.00 -0.11 0.00 0.00 41.96 41.93 1t3v s TYR 26 CO 0.59 -0.57 -0.01 -0.06 -1.11 0.00 0.00 175.55 174.39 1t3v s PHE 27 N -3.88 2.25 -0.97 2.71 0.08 -0.74 -2.61 117.98 114.81 1t3v s PHE 27 Ca 0.07 -1.75 -0.24 0.00 0.12 0.00 0.00 56.93 55.13 1t3v s PHE 27 Cb 0.05 -1.65 0.05 0.00 -0.57 0.00 0.00 43.02 40.90 1t3v s PHE 27 CO -0.09 -0.78 1.42 0.00 -0.10 0.00 0.00 175.22 175.67 1t3v s ALA 28 N 1.44 2.71 -0.83 5.36 0.00 -0.40 -2.22 121.76 127.82 1t3v s ALA 28 Ca -0.02 -2.11 -0.25 0.00 0.00 0.00 0.00 51.96 49.58 1t3v s ALA 28 Cb -0.18 -4.49 0.02 0.00 0.00 0.00 0.00 23.12 18.47 1t3v s ALA 28 CO -0.09 -3.57 1.46 -0.06 0.00 0.00 0.00 175.76 173.50 1t3v s PHE 29 N 5.12 2.25 0.71 0.00 0.08 0.65 -0.85 117.98 125.95 1t3v s PHE 29 Ca 0.44 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 57.22 1t3v s PHE 29 Cb -0.01 -4.54 0.02 0.00 -0.57 0.00 0.00 43.02 37.91 1t3v s PHE 29 CO -0.06 -2.03 1.10 0.08 -0.10 0.00 0.00 175.22 174.21 1t3v s VAL 30 N 6.23 3.45 0.02 -0.44 1.01 -0.22 -0.84 120.40 129.62 1t3v s VAL 30 Ca 0.45 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1t3v s VAL 30 Cb -0.06 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1t3v s VAL 30 CO 0.06 -0.62 0.01 0.29 0.00 0.00 0.00 175.10 174.85 1t3v n LYS 31 N -3.03 1.58 -3.96 2.72 5.02 -0.12 -0.21 118.16 120.17 1t3v n LYS 31 Ca 0.07 -0.16 -0.09 0.00 -2.02 0.00 0.00 58.31 56.11 1t3v n LYS 31 Cb 0.57 0.02 -0.10 0.00 -0.02 0.00 0.00 35.03 35.50 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 -0.35 0.12 -0.36 -0.18 0.11 -0.99 -4.46 120.40 114.28 1t3v s VAL 32 Ca 0.01 -0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 58.05 1t3v s VAL 32 Cb -0.00 -0.50 0.07 0.00 -1.53 0.00 0.00 36.38 34.42 1t3v s VAL 32 CO 0.01 -0.53 0.12 -0.75 -3.33 0.00 0.00 175.10 170.62 1t3v s LYS 33 N -1.82 2.38 0.00 1.54 2.47 -1.24 -4.59 119.74 118.48 1t3v s LYS 33 Ca -0.12 -1.43 0.00 0.00 -1.56 0.00 0.00 55.97 52.86 1t3v s LYS 33 Cb -0.07 -3.46 0.00 0.00 -1.46 0.00 0.00 37.83 32.85 1t3v s LYS 33 CO -0.02 -0.81 0.00 -1.71 0.16 0.00 0.00 175.35 172.97 1t3v n ASN 34 N 4.71 0.00 -0.10 1.43 5.15 -1.26 -0.92 115.26 124.26 1t3v n ASN 34 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1t3v n ASN 34 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 1t3v n ASN 34 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1t3v n ASN 35 N 0.00 0.00 0.00 1.20 2.85 -1.26 -5.13 115.26 112.91 1t3v n ASN 35 Ca 0.00 -1.16 0.00 0.00 -0.11 0.00 0.00 54.58 53.31 1t3v n ASN 35 Cb 0.00 -0.03 0.00 0.00 1.24 0.00 0.00 39.78 40.99 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1t3v n ALA 36 N 0.00 0.00 -0.06 5.20 0.00 -0.10 -5.07 120.51 120.47 1t3v n ALA 36 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1t3v n ALA 36 Cb 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 1t3v n ALA 36 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1t3v n ILE 37 N 0.00 1.51 0.00 0.00 -0.00 -1.26 -3.72 119.36 115.89 1t3v n ILE 37 Ca 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 62.75 61.94 1t3v n ILE 37 Cb 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 39.64 38.83 1t3v n ILE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1t3v n ALA 38 N -2.69 0.00 -3.61 -1.39 0.00 -1.26 -2.64 120.51 108.92 1t3v n ALA 38 Ca -0.26 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.09 1t3v n ALA 38 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.53 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 -0.55 -0.35 0.05 0.00 -1.08 -1.26 -4.99 116.67 108.48 1t3v s ASP 39 Ca 0.00 -0.41 0.05 0.00 -0.52 0.00 0.00 52.55 51.67 1t3v s ASP 39 Cb 0.00 0.66 -0.02 0.00 -1.46 0.00 0.00 42.92 42.10 1t3v s ASP 39 CO 0.00 -1.18 -0.13 -0.63 0.52 0.00 0.00 175.17 173.75 1t3v s ILE 40 N -3.86 1.06 -0.14 4.11 1.01 -1.26 -0.95 121.20 121.17 1t3v s ILE 40 Ca 0.08 -1.07 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 1t3v s ILE 40 Cb -0.03 -0.98 0.03 0.00 0.01 0.00 0.00 42.46 41.48 1t3v s ILE 40 CO -0.01 -0.08 -0.06 -0.44 0.00 0.00 0.00 174.94 174.35 1t3v s SER 41 N -1.32 2.45 -0.62 3.58 0.01 -0.02 -4.99 113.70 112.80 1t3v s SER 41 Ca -0.00 -0.46 0.06 0.00 1.31 0.00 0.00 55.95 56.86 1t3v s SER 41 Cb -0.08 -0.85 0.25 0.00 0.21 0.00 0.00 66.02 65.54 1t3v s SER 41 CO 0.01 -0.15 0.72 0.55 0.41 0.00 0.00 173.24 174.78 1t3v n VAL 42 N 4.93 2.05 -2.78 3.43 3.14 -1.26 -0.25 118.33 127.59 1t3v n VAL 42 Ca -0.12 -5.10 -0.36 0.00 -2.96 0.00 0.00 64.34 55.81 1t3v n VAL 42 Cb 0.49 -2.09 -0.06 0.00 -1.06 0.00 0.00 33.84 31.12 1t3v n VAL 42 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1t3v s GLU 43 N -2.33 4.45 0.45 1.45 0.41 -0.94 -4.87 118.70 117.32 1t3v s GLU 43 Ca 0.39 1.28 -0.25 0.00 -0.41 0.00 0.00 54.97 55.98 1t3v s GLU 43 Cb 0.15 -2.59 -0.08 0.00 -1.78 0.00 0.00 34.13 29.82 1t3v s GLU 43 CO -0.02 0.16 1.38 -1.21 -0.49 0.00 0.00 175.26 175.07 1t3v s GLU 44 N -2.43 3.70 -0.21 1.61 2.02 -1.26 -1.80 118.70 120.33 1t3v s GLU 44 Ca 0.54 2.31 -0.28 0.00 0.02 0.00 0.00 54.97 57.56 1t3v s GLU 44 Cb -0.16 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.45 1t3v s GLU 44 CO 0.21 -0.77 0.99 1.21 0.02 0.00 0.00 175.26 176.92 1t3v s ASN 45 N -0.65 7.07 0.25 -0.19 3.84 -0.46 -4.78 114.94 120.02 1t3v s ASN 45 Ca 0.61 1.34 -0.03 0.00 0.21 0.00 0.00 52.86 54.98 1t3v s ASN 45 Cb -0.41 -2.52 0.30 0.00 -0.55 0.00 0.00 41.25 38.06 1t3v s ASN 45 CO 0.53 -0.60 1.76 1.55 -2.79 0.00 0.00 177.10 177.55 1t3v h PRO 46 N 7.43 0.89 -0.60 0.43 0.13 -1.93 -3.31 132.00 135.04 1t3v h PRO 46 Ca -0.22 -0.22 -0.42 0.00 -0.87 0.00 0.00 66.00 64.27 1t3v h PRO 46 Cb 1.08 -0.11 -0.40 0.00 0.13 0.00 0.00 31.00 31.70 1t3v h PRO 46 CO 0.94 0.84 -0.91 1.28 -0.23 0.00 0.00 178.00 179.92 1t3v n LEU 47 N -4.23 3.67 -0.21 1.56 4.77 -1.26 -4.87 117.00 116.43 1t3v n LEU 47 Ca 0.04 -4.10 -0.02 0.00 -0.03 0.00 0.00 56.01 51.89 1t3v n LEU 47 Cb 0.27 -0.08 0.18 0.00 -2.33 0.00 0.00 43.42 41.46 1t3v n LEU 47 CO 0.41 1.70 1.11 0.00 -1.33 0.00 0.00 177.39 179.28 1t3v h ALA 48 N 2.25 1.27 -2.00 -1.18 0.00 -1.81 -3.28 119.26 114.50 1t3v h ALA 48 Ca 0.18 -0.14 -0.48 0.00 0.00 0.00 0.00 54.91 54.47 1t3v h ALA 48 Cb 1.44 -0.28 -0.40 0.00 0.00 0.00 0.00 17.79 18.54 1t3v h ALA 48 CO 0.53 0.56 -1.19 0.94 0.00 0.00 0.00 179.25 180.09 1t3v n GLN 49 N -4.33 0.99 0.00 0.00 7.27 -1.26 -4.54 117.38 115.50 1t3v n GLN 49 Ca 0.07 -3.39 0.00 0.00 0.07 0.00 0.00 57.00 53.74 1t3v n GLN 49 Cb 0.13 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.07 1t3v n GLN 49 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1t3v n ASP 50 N 0.29 0.20 0.22 1.69 2.03 -1.24 -5.01 116.55 114.74 1t3v n ASP 50 Ca 0.25 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.68 1t3v n ASP 50 Cb 0.66 0.00 0.64 0.00 -0.72 0.00 0.00 41.12 41.69 1t3v n ASP 50 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1t3v h HIS 51 N 0.00 0.00 -6.51 -0.67 2.07 -1.98 -3.45 115.15 104.61 1t3v h HIS 51 Ca 0.00 0.00 -0.46 0.00 -2.85 0.00 0.00 60.37 57.06 1t3v h HIS 51 Cb 0.00 0.00 -0.17 0.00 2.57 0.00 0.00 27.41 29.81 1t3v h HIS 51 CO 0.00 0.00 -0.72 0.28 -3.07 0.00 0.00 177.93 174.42 1t3v n VAL 52 N -2.41 -0.66 -1.07 6.12 0.31 -1.26 -4.80 118.33 114.55 1t3v n VAL 52 Ca -0.02 -0.33 -0.22 0.00 -0.01 0.00 0.00 64.34 63.76 1t3v n VAL 52 Cb 0.20 -0.70 0.04 0.00 -0.91 0.00 0.00 33.84 32.47 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 -3.61 1.99 -2.08 3.52 -0.00 -1.26 -4.74 115.22 109.04 1t3v n HIS 53 Ca -0.21 -2.23 -0.01 0.00 0.46 0.00 0.00 57.72 55.73 1t3v n HIS 53 Cb 0.50 -1.12 -0.00 0.00 -0.12 0.00 0.00 29.99 29.25 1t3v n HIS 53 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1t3v n GLY 54 N 0.07 0.37 0.00 1.57 0.00 -1.26 -4.68 105.19 101.26 1t3v n GLY 54 Ca 0.40 -0.82 0.04 0.00 0.00 0.00 0.00 46.02 45.64 1t3v n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v n ALA 55 N -1.21 2.76 -0.15 4.61 0.00 -1.26 -4.37 120.51 120.89 1t3v n ALA 55 Ca -0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.17 1t3v n ALA 55 Cb 0.51 -0.28 0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 0.33 -0.01 0.00 2.07 -1.93 -1.84 116.25 114.86 1t3v h VAL 56 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1t3v h VAL 56 Cb 0.24 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1t3v h VAL 56 CO 0.00 0.00 -0.46 -0.65 0.02 0.00 0.00 177.57 176.48 1t3v h PRO 57 N -0.14 0.03 0.00 1.57 0.11 -1.95 -2.71 132.00 128.91 1t3v h PRO 57 Ca 0.22 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1t3v h PRO 57 Cb 0.48 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1t3v h PRO 57 CO -0.56 0.48 -0.12 -0.97 -0.21 0.00 0.00 178.00 176.63 1t3v h ASN 58 N 0.02 0.00 0.34 -2.05 -1.24 -1.56 -1.14 115.58 109.95 1t3v h ASN 58 Ca -0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1t3v h ASN 58 Cb 0.82 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.87 1t3v h ASN 58 CO 0.06 0.12 -0.16 0.15 -1.29 0.00 0.00 177.43 176.30 1t3v h PHE 59 N 0.00 -0.42 0.00 0.67 3.57 -1.08 -3.34 116.94 116.34 1t3v h PHE 59 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1t3v h PHE 59 Cb 0.56 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1t3v h PHE 59 CO 0.00 -0.26 -0.03 -0.39 -2.23 0.00 0.00 178.31 175.40 1t3v h VAL 60 N -0.68 0.64 -0.02 1.41 -1.51 -1.26 0.26 116.25 115.09 1t3v h VAL 60 Ca -0.05 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1t3v h VAL 60 Cb 0.35 1.07 -0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1t3v h VAL 60 CO 0.08 0.03 0.02 0.11 -1.23 0.00 0.00 177.57 176.57 1t3v h LYS 61 N 0.00 0.00 0.00 5.19 1.57 -1.38 -0.52 116.57 121.43 1t3v h LYS 61 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1t3v h LYS 61 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1t3v h LYS 61 CO 0.00 0.00 -0.11 1.05 -0.57 0.00 0.00 179.45 179.83 1t3v h GLU 62 N 0.00 0.00 -1.63 3.15 -0.00 -0.59 -3.31 114.58 112.20 1t3v h GLU 62 Ca 0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 59.22 1t3v h GLU 62 Cb 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 28.72 1t3v h GLU 62 CO -0.00 0.11 0.19 1.63 -0.00 0.00 0.00 179.01 180.94 1t3v n LYS 63 N -3.19 1.37 -2.94 1.06 4.76 -0.20 -4.85 118.16 114.16 1t3v n LYS 63 Ca 0.01 -0.74 -0.18 0.00 -2.87 0.00 0.00 58.31 54.54 1t3v n LYS 63 Cb 0.43 -1.29 -0.04 0.00 -1.84 0.00 0.00 35.03 32.29 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 0.80 -0.15 3.97 0.72 0.00 -1.25 -4.88 105.19 104.40 1t3v n GLY 64 Ca 0.14 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.36 3.62 0.00 4.61 0.00 -1.26 -4.79 121.76 121.58 1t3v s ALA 65 Ca 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1t3v s ALA 65 Cb -0.16 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1t3v s ALA 65 CO 0.45 -1.13 0.00 0.39 0.00 0.00 0.00 175.76 175.47 1t3v n GLU 66 N -2.66 1.57 -3.99 0.00 1.02 -1.04 -4.90 120.64 110.65 1t3v n GLU 66 Ca 0.10 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.16 1t3v n GLU 66 Cb 0.60 -0.52 -0.10 0.00 -0.02 0.00 0.00 31.44 31.40 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 -0.90 2.12 -0.27 -4.62 2.96 0.34 -1.33 118.68 116.97 1t3v s LEU 67 Ca 0.00 -0.64 -0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1t3v s LEU 67 Cb 0.00 0.34 0.14 0.00 0.50 0.00 0.00 46.19 47.17 1t3v s LEU 67 CO 0.00 -0.46 0.36 -0.69 -1.32 0.00 0.00 176.35 174.24 1t3v s VAL 68 N -2.54 -0.55 -0.61 1.68 1.01 -0.54 -0.81 120.40 118.05 1t3v s VAL 68 Ca -0.06 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 1t3v s VAL 68 Cb -0.02 -0.92 0.08 0.00 0.00 0.00 0.00 36.38 35.52 1t3v s VAL 68 CO -0.05 -0.29 0.82 -0.63 0.00 0.00 0.00 175.10 174.95 1t3v s ILE 69 N 2.48 4.60 0.41 2.22 1.01 0.23 -2.70 121.20 129.44 1t3v s ILE 69 Ca 0.10 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.19 1t3v s ILE 69 Cb -0.14 -4.55 -0.06 0.00 0.01 0.00 0.00 42.46 37.71 1t3v s ILE 69 CO -0.26 -1.23 0.02 0.68 0.00 0.00 0.00 174.94 174.15 1t3v s VAL 70 N 3.32 1.65 0.00 2.92 -7.23 -0.20 -4.51 120.40 116.34 1t3v s VAL 70 Ca 0.17 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1t3v s VAL 70 Cb -0.20 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1t3v s VAL 70 CO 0.09 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.42 1t3v n ARG 71 N -0.96 0.00 -1.33 4.82 1.74 -1.23 -2.01 116.66 117.70 1t3v n ARG 71 Ca -0.07 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.75 1t3v n ARG 71 Cb 0.67 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 32.02 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 4.72 3.94 0.24 -0.13 0.00 0.88 -4.39 105.19 110.45 1t3v n GLY 72 Ca 0.00 -1.54 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 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 2.40 0.00 -3.76 -0.61 3.06 -1.25 -4.15 119.36 115.04 1t3v n ILE 73 Ca 0.58 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.73 1t3v n ILE 73 Cb 0.55 -0.07 -0.04 0.00 0.54 0.00 0.00 39.64 40.62 1t3v n ILE 73 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1t3v s GLY 74 N -1.89 -0.03 0.20 4.50 0.00 -1.26 -4.89 107.32 103.95 1t3v s GLY 74 Ca 0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 44.72 44.36 1t3v s GLY 74 CO 0.04 -0.32 1.72 -0.09 0.00 0.00 0.00 173.10 174.45 1t3v h ARG 75 N 2.23 0.30 -0.14 2.90 9.65 -1.99 -0.78 114.38 126.55 1t3v h ARG 75 Ca -0.29 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.61 1t3v h ARG 75 Cb 1.26 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.77 1t3v h ARG 75 CO 0.38 0.20 0.46 0.07 2.80 0.00 0.00 179.97 183.88 1t3v h ARG 76 N 0.30 0.00 0.06 0.20 0.11 -1.98 0.73 114.38 113.80 1t3v h ARG 76 Ca 0.29 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.99 1t3v h ARG 76 Cb 0.38 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.42 1t3v h ARG 76 CO -0.33 0.00 -2.24 0.00 0.10 0.00 0.00 179.97 177.49 1t3v n ALA 77 N -1.97 1.18 -0.23 0.08 0.00 -0.32 -3.95 120.51 115.30 1t3v n ALA 77 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 53.44 52.62 1t3v n ALA 77 Cb 0.54 -0.38 0.13 0.00 0.00 0.00 0.00 19.45 19.74 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 0.03 0.44 -0.03 0.00 1.08 -0.96 -1.08 117.51 117.01 1t3v h ILE 78 Ca -0.50 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 63.93 1t3v h ILE 78 Cb 1.97 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 36.01 1t3v h ILE 78 CO -0.00 0.03 0.13 0.00 -0.69 0.00 0.00 178.15 177.61 1t3v h ALA 79 N 1.62 1.24 0.26 1.87 0.00 -1.06 0.27 119.26 123.46 1t3v h ALA 79 Ca 0.37 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1t3v h ALA 79 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1t3v h ALA 79 CO -0.57 -0.14 -0.12 0.00 0.00 0.00 0.00 179.25 178.41 1t3v h ALA 80 N 1.77 -0.35 -0.86 0.00 0.00 -1.31 -3.14 119.26 115.37 1t3v h ALA 80 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1t3v h ALA 80 Cb 0.27 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1t3v h ALA 80 CO -0.00 -0.37 0.52 0.74 0.00 0.00 0.00 179.25 180.14 1t3v h PHE 81 N -1.01 1.12 0.00 0.00 0.04 -1.34 0.11 116.94 115.86 1t3v h PHE 81 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1t3v h PHE 81 Cb 0.44 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1t3v h PHE 81 CO 0.04 0.74 0.00 0.39 -0.60 0.00 0.00 178.31 178.88 1t3v n GLU 82 N -4.37 0.13 0.26 1.51 1.02 0.01 -0.58 120.64 118.62 1t3v n GLU 82 Ca 0.09 0.58 0.14 0.00 -0.02 0.00 0.00 57.16 57.96 1t3v n GLU 82 Cb 0.06 -1.89 0.66 0.00 -0.02 0.00 0.00 31.44 30.25 1t3v n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1t3v h ALA 83 N 2.05 1.08 0.00 0.62 0.00 -0.72 -3.29 119.26 119.00 1t3v h ALA 83 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1t3v h ALA 83 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1t3v h ALA 83 CO 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 179.25 179.16 1t3v n MET 84 N -3.34 0.71 -2.06 0.00 -0.00 -0.17 -5.00 117.12 107.25 1t3v n MET 84 Ca -0.01 -1.63 -0.20 0.00 -0.00 0.00 0.00 57.70 55.86 1t3v n MET 84 Cb 0.31 -0.94 -0.04 0.00 -0.00 0.00 0.00 33.22 32.55 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 -0.61 0.52 3.62 3.17 0.00 -0.22 -4.88 105.19 106.79 1t3v n GLY 85 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.88 4.24 0.56 1.61 1.01 0.25 -4.94 120.40 120.26 1t3v s VAL 86 Ca 0.00 1.35 -0.20 0.00 0.00 0.00 0.00 61.98 63.13 1t3v s VAL 86 Cb 0.00 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1t3v s VAL 86 CO 0.00 -0.72 1.21 -0.75 0.00 0.00 0.00 175.10 174.84 1t3v s LYS 87 N 4.22 3.18 -0.30 2.72 2.20 -0.44 -4.39 119.74 126.92 1t3v s LYS 87 Ca 0.50 1.85 -0.01 0.00 -0.36 0.00 0.00 55.97 57.95 1t3v s LYS 87 Cb -0.11 -2.07 0.13 0.00 -1.51 0.00 0.00 37.83 34.27 1t3v s LYS 87 CO 0.25 -1.04 0.24 0.54 -0.36 0.00 0.00 175.35 174.98 1t3v s VAL 88 N -1.56 -0.24 0.17 4.02 0.11 -1.26 -1.47 120.40 120.17 1t3v s VAL 88 Ca 0.74 -0.74 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1t3v s VAL 88 Cb -0.31 -0.96 -0.08 0.00 -1.53 0.00 0.00 36.38 33.50 1t3v s VAL 88 CO 0.34 -0.61 1.20 -0.63 -3.33 0.00 0.00 175.10 172.08 1t3v s ILE 89 N 2.06 3.60 0.49 7.04 1.01 -1.10 -4.81 121.20 129.49 1t3v s ILE 89 Ca 0.11 1.32 0.06 0.00 0.00 0.00 0.00 60.65 62.14 1t3v s ILE 89 Cb -0.16 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1t3v s ILE 89 CO -0.28 0.20 0.33 -0.54 0.00 0.00 0.00 174.94 174.65 1t3v s LYS 90 N -0.09 2.30 0.00 2.79 3.01 -1.25 -1.03 119.74 125.47 1t3v s LYS 90 Ca 0.54 -1.90 0.00 0.00 -1.01 0.00 0.00 55.97 53.59 1t3v s LYS 90 Cb -0.32 -2.10 0.00 0.00 -1.01 0.00 0.00 37.83 34.39 1t3v s LYS 90 CO 0.36 -0.41 0.00 0.41 0.51 0.00 0.00 175.35 176.22 1t3v n GLY 91 N -1.58 0.63 1.60 -3.33 0.00 -0.85 -4.54 105.19 97.11 1t3v n GLY 91 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1t3v n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v n ALA 92 N -1.40 -1.58 -3.57 4.61 0.00 -1.23 -5.01 120.51 112.32 1t3v n ALA 92 Ca 0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 53.44 52.61 1t3v n ALA 92 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 1t3v n ALA 92 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1t3v s SER 93 N -2.85 -0.30 0.00 0.00 1.04 -1.26 -4.85 113.70 105.48 1t3v s SER 93 Ca 0.32 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1t3v s SER 93 Cb -0.03 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1t3v s SER 93 CO 0.25 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1t3v n GLY 94 N 0.43 0.72 3.91 7.32 0.00 -1.26 -4.64 105.19 111.67 1t3v n GLY 94 Ca -0.07 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.62 1t3v n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t3v s THR 95 N -1.33 2.32 0.12 2.61 -4.23 -1.26 -1.22 115.64 112.65 1t3v s THR 95 Ca 0.00 -0.08 -0.26 0.00 -1.18 0.00 0.00 61.69 60.17 1t3v s THR 95 Cb 0.00 -3.06 -0.07 0.00 1.34 0.00 0.00 72.50 70.71 1t3v s THR 95 CO 0.00 -0.07 1.64 0.58 -0.54 0.00 0.00 174.62 176.23 1t3v h VAL 96 N -0.78 0.46 0.00 2.29 2.07 -0.93 0.50 116.25 119.86 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 1.31 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1t3v h VAL 96 CO 0.63 0.00 0.00 1.05 0.02 0.00 0.00 177.57 179.27 1t3v h GLU 97 N -0.41 0.00 0.00 1.57 4.11 -1.66 -1.39 114.58 116.80 1t3v h GLU 97 Ca 0.04 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.11 1t3v h GLU 97 Cb 0.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1t3v h GLU 97 CO -0.17 0.00 -2.16 -1.91 0.07 0.00 0.00 179.01 174.84 1t3v n GLU 98 N -2.62 0.57 -0.36 1.06 2.13 -0.95 -4.01 120.64 116.46 1t3v n GLU 98 Ca -0.02 0.27 0.06 0.00 0.66 0.00 0.00 57.16 58.13 1t3v n GLU 98 Cb 0.05 -1.50 0.22 0.00 0.27 0.00 0.00 31.44 30.48 1t3v n GLU 98 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1t3v h VAL 99 N -1.00 0.96 0.41 6.31 2.07 -0.65 0.21 116.25 124.56 1t3v h VAL 99 Ca -0.54 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1t3v h VAL 99 Cb 1.47 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1t3v h VAL 99 CO -0.33 0.19 -0.49 0.58 0.02 0.00 0.00 177.57 177.54 1t3v h VAL 100 N 1.05 0.04 -0.85 2.57 2.07 -1.49 -2.27 116.25 117.38 1t3v h VAL 100 Ca 0.48 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.99 1t3v h VAL 100 Cb 0.40 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1t3v h VAL 100 CO -0.24 0.00 0.51 -1.13 0.02 0.00 0.00 177.57 176.72 1t3v h ASN 101 N -0.92 1.02 -0.86 0.57 -1.24 -1.34 -0.79 115.58 112.02 1t3v h ASN 101 Ca -0.04 -0.07 0.12 0.00 0.71 0.00 0.00 56.30 57.01 1t3v h ASN 101 Cb 0.83 -0.26 -0.06 0.00 0.73 0.00 0.00 38.32 39.56 1t3v h ASN 101 CO -0.11 0.79 0.55 1.56 -1.29 0.00 0.00 177.43 178.93 1t3v h GLN 102 N 1.16 0.73 0.00 6.67 4.20 -0.44 0.10 115.11 127.54 1t3v h GLN 102 Ca 0.30 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1t3v h GLN 102 Cb -0.04 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1t3v h GLN 102 CO -0.06 0.48 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.66 1t3v h TYR 103 N 0.75 -0.00 -0.01 2.96 3.20 -0.83 0.20 116.97 123.23 1t3v h TYR 103 Ca 0.41 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.28 1t3v h TYR 103 Cb 0.55 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1t3v h TYR 103 CO -0.00 0.85 0.02 -0.07 -1.64 0.00 0.00 178.16 177.32 1t3v h LEU 104 N -0.86 0.00 -0.03 2.82 4.07 -0.57 0.42 115.31 121.17 1t3v h LEU 104 Ca -0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 1t3v h LEU 104 Cb 0.85 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.57 1t3v h LEU 104 CO 0.00 0.00 -0.78 0.28 -1.08 0.00 0.00 178.44 176.86 1t3v h SER 105 N 0.00 0.00 0.00 -0.43 0.02 -0.92 -3.48 113.55 108.74 1t3v h SER 105 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1t3v h SER 105 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1t3v h SER 105 CO -0.00 0.78 0.00 0.61 -1.14 0.00 0.00 176.83 177.08 1t3v n GLY 106 N 1.27 1.06 0.19 -3.77 0.00 0.14 -5.03 105.19 99.05 1t3v n GLY 106 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 0.94 0.63 -7.05 1.61 1.08 -1.13 -3.46 115.11 107.73 1t3v h GLN 107 Ca 0.00 -0.44 -0.52 0.00 -1.45 0.00 0.00 58.65 56.24 1t3v h GLN 107 Cb 0.00 0.07 0.09 0.00 -0.05 0.00 0.00 27.48 27.59 1t3v h GLN 107 CO 0.00 1.06 0.50 -0.51 -0.95 0.00 0.00 178.83 178.93 1t3v s LEU 108 N -8.70 3.84 0.04 1.46 2.01 -1.08 -4.99 118.68 111.26 1t3v s LEU 108 Ca -0.12 2.41 0.04 0.00 0.01 0.00 0.00 54.13 56.47 1t3v s LEU 108 Cb 0.07 -4.40 -0.04 0.00 0.01 0.00 0.00 46.19 41.84 1t3v s LEU 108 CO 0.84 -1.30 -0.06 -0.75 1.01 0.00 0.00 176.35 176.09 1t3v s LYS 109 N -3.00 2.47 -0.48 1.70 2.47 -1.26 -4.96 119.74 116.68 1t3v s LYS 109 Ca 0.71 -0.80 0.08 0.00 -1.56 0.00 0.00 55.97 54.40 1t3v s LYS 109 Cb -0.31 -2.47 0.37 0.00 -1.46 0.00 0.00 37.83 33.96 1t3v s LYS 109 CO 0.36 0.57 0.94 -0.40 0.16 0.00 0.00 175.35 176.98 1t3v n ASP 110 N 1.24 3.44 -4.60 1.43 5.68 -1.26 -3.79 116.55 118.69 1t3v n ASP 110 Ca -0.14 -3.45 -0.30 0.00 -0.50 0.00 0.00 54.79 50.40 1t3v n ASP 110 Cb 0.52 -0.55 0.20 0.00 -1.14 0.00 0.00 41.12 40.16 1t3v n ASP 110 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1t3v s SER 111 N -3.23 2.10 -0.32 -1.12 0.15 -1.26 -4.99 113.70 105.04 1t3v s SER 111 Ca 0.45 1.95 -0.10 0.00 0.70 0.00 0.00 55.95 58.94 1t3v s SER 111 Cb 0.34 -2.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.16 1t3v s SER 111 CO -0.12 -3.58 0.17 -1.81 1.20 0.00 0.00 173.24 169.11 1t3v s ASP 112 N -2.58 5.66 0.34 5.45 1.01 -1.26 -4.97 116.67 120.32 1t3v s ASP 112 Ca 0.68 -0.49 -0.10 0.00 0.71 0.00 0.00 52.55 53.34 1t3v s ASP 112 Cb -0.24 -2.03 -0.07 0.00 1.01 0.00 0.00 42.92 41.59 1t3v s ASP 112 CO 0.61 -0.20 0.69 -0.47 0.21 0.00 0.00 175.17 176.01 1t3v s TYR 113 N 1.64 3.44 0.36 4.23 5.04 -1.26 -5.09 117.35 125.71 1t3v s TYR 113 Ca 0.05 0.99 -0.25 0.00 -2.44 0.00 0.00 57.07 55.42 1t3v s TYR 113 Cb -0.17 -2.38 -0.10 0.00 0.35 0.00 0.00 41.96 39.67 1t3v s TYR 113 CO 0.07 0.05 0.99 -1.83 -1.34 0.00 0.00 175.55 173.50 1t3v s GLU 114 N -3.41 4.37 0.34 4.97 -1.05 -1.26 -5.09 118.70 117.57 1t3v s GLU 114 Ca 0.50 1.40 -0.03 0.00 -0.15 0.00 0.00 54.97 56.69 1t3v s GLU 114 Cb -0.10 -2.64 0.07 0.00 -0.44 0.00 0.00 34.13 31.02 1t3v s GLU 114 CO 0.26 0.07 0.47 1.33 0.95 0.00 0.00 175.26 178.33 1t3v n VAL 115 N 0.19 0.00 0.01 1.83 0.24 -1.26 -5.10 118.33 114.24 1t3v n VAL 115 Ca 0.04 -0.55 -0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1t3v n VAL 115 Cb 0.50 -1.42 -0.00 0.00 -1.47 0.00 0.00 33.84 31.45 1t3v n VAL 115 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1t3v n HIS 116 N -2.29 0.00 0.00 6.34 -0.00 -1.26 -5.10 115.22 112.90 1t3v n HIS 116 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1t3v n HIS 116 Cb 0.24 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 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 -2.87 0.00 -3.54 0.26 2.03 -1.26 -5.16 116.55 106.00 1t3v n ASP 117 Ca -0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1t3v n ASP 117 Cb 0.01 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1t3v n ASP 117 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1t3v s HIS 118 N 0.00 -0.08 -0.77 -0.67 5.04 -1.26 -5.08 115.29 112.47 1t3v s HIS 118 Ca 0.00 -0.45 -0.25 0.00 -1.54 0.00 0.00 55.06 52.82 1t3v s HIS 118 Cb 0.00 0.75 -0.03 0.00 0.04 0.00 0.00 32.58 33.34 1t3v s HIS 118 CO 0.00 -1.35 1.89 -1.58 -2.34 0.00 0.00 174.74 171.36 1t3v s HIS 119 N -3.36 1.76 1.31 3.88 5.65 -1.26 -4.98 115.29 118.29 1t3v s HIS 119 Ca 0.13 0.66 -0.18 0.00 0.25 0.00 0.00 55.06 55.92 1t3v s HIS 119 Cb -0.06 -4.08 0.33 0.00 -1.18 0.00 0.00 32.58 27.59 1t3v s HIS 119 CO 0.08 -2.00 0.97 -1.58 -0.65 0.00 0.00 174.74 171.56 1t3v s HIS 120 N 9.49 0.37 -1.02 3.88 2.46 -1.26 -4.86 115.29 124.35 1t3v s HIS 120 Ca 0.68 0.88 -0.19 0.00 0.47 0.00 0.00 55.06 56.90 1t3v s HIS 120 Cb -0.09 -2.98 -0.09 0.00 -0.13 0.00 0.00 32.58 29.29 1t3v s HIS 120 CO 0.09 -4.49 2.05 0.72 -2.47 0.00 0.00 174.74 170.64 1t3v n HIS 121 N -5.32 2.43 -3.53 3.88 8.25 -1.26 -4.69 115.22 114.98 1t3v n HIS 121 Ca 0.07 -2.23 -0.27 0.00 -0.26 0.00 0.00 57.72 55.03 1t3v n HIS 121 Cb 0.57 -2.01 -0.10 0.00 1.12 0.00 0.00 29.99 29.57 1t3v n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1t3v n GLU 122 N 6.55 1.23 -3.52 -0.41 1.02 -1.26 -5.09 120.64 119.17 1t3v n GLU 122 Ca 0.51 -3.88 -0.09 0.00 -0.02 0.00 0.00 57.16 53.68 1t3v n GLU 122 Cb 0.39 -1.90 -0.02 0.00 -0.02 0.00 0.00 31.44 29.89 1t3v n GLU 122 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1t3v s HIS 123 N -1.11 -0.36 0.00 -0.32 -3.43 -1.26 -5.14 115.29 103.68 1t3v s HIS 123 Ca 0.32 0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.77 1t3v s HIS 123 Cb 0.05 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.76 1t3v s HIS 123 CO -0.14 -0.63 0.00 1.58 -2.00 0.00 0.00 174.74 173.55