#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3v s ILE 2 N 0.00 3.93 -0.24 3.17 1.01 -1.26 -1.60 121.20 126.22 1t3v s ILE 2 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1t3v s ILE 2 Cb 0.00 -2.90 0.07 0.00 0.01 0.00 0.00 42.46 39.63 1t3v s ILE 2 CO 0.00 0.05 -0.01 -0.63 0.00 0.00 0.00 174.94 174.35 1t3v s ILE 3 N -1.43 1.30 0.50 2.92 1.01 0.14 -0.47 121.20 125.19 1t3v s ILE 3 Ca 0.26 -1.16 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 1t3v s ILE 3 Cb -0.11 -1.67 -0.08 0.00 0.01 0.00 0.00 42.46 40.60 1t3v s ILE 3 CO 0.18 -0.21 0.98 0.00 0.00 0.00 0.00 174.94 175.90 1t3v s ALA 4 N 1.49 3.05 -0.18 9.38 0.00 -0.47 -0.40 121.76 134.63 1t3v s ALA 4 Ca -0.02 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.12 1t3v s ALA 4 Cb -0.18 -3.13 0.09 0.00 0.00 0.00 0.00 23.12 19.89 1t3v s ALA 4 CO -0.09 -0.21 0.25 0.42 0.00 0.00 0.00 175.76 176.14 1t3v s ILE 5 N -2.54 -0.39 -0.00 0.00 1.01 0.43 -1.01 121.20 118.70 1t3v s ILE 5 Ca 0.60 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 1t3v s ILE 5 Cb -0.10 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1t3v s ILE 5 CO 0.29 -0.07 1.41 -2.16 0.00 0.00 0.00 174.94 174.41 1t3v s PRO 6 N 2.38 4.28 0.20 2.79 0.04 -1.26 -0.45 135.00 142.98 1t3v s PRO 6 Ca 0.05 1.97 0.09 0.00 0.04 0.00 0.00 61.00 63.16 1t3v s PRO 6 Cb -0.14 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 1t3v s PRO 6 CO -0.11 -0.59 -0.09 0.14 0.04 0.00 0.00 177.00 176.40 1t3v s VAL 7 N 2.46 3.20 -0.33 -0.36 -7.23 -0.57 -0.21 120.40 117.36 1t3v s VAL 7 Ca 0.64 -1.73 0.23 0.00 -1.81 0.00 0.00 61.98 59.31 1t3v s VAL 7 Cb -0.31 -2.61 0.15 0.00 0.56 0.00 0.00 36.38 34.16 1t3v s VAL 7 CO 0.26 -0.16 1.29 -1.28 -0.31 0.00 0.00 175.10 174.91 1t3v h SER 8 N 2.73 0.00 -5.04 4.85 0.87 -1.17 -3.18 113.55 112.62 1t3v h SER 8 Ca -0.46 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 59.99 1t3v h SER 8 Cb 1.21 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.99 1t3v h SER 8 CO 0.55 0.00 -0.27 -1.61 -0.53 0.00 0.00 176.83 174.97 1t3v s GLU 9 N -3.29 0.75 -1.21 2.24 2.02 -1.26 -4.79 118.70 113.16 1t3v s GLU 9 Ca 0.03 -0.42 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 1t3v s GLU 9 Cb 0.08 0.33 0.21 0.00 0.10 0.00 0.00 34.13 34.84 1t3v s GLU 9 CO 0.74 -0.23 1.99 -1.71 0.02 0.00 0.00 175.26 176.07 1t3v n ASN 10 N 0.81 6.90 -2.34 -0.19 5.15 -1.26 -4.36 115.26 119.96 1t3v n ASN 10 Ca -0.20 -3.30 -0.32 0.00 -0.60 0.00 0.00 54.58 50.17 1t3v n ASN 10 Cb 0.58 -1.34 0.05 0.00 -0.53 0.00 0.00 39.78 38.55 1t3v n ASN 10 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1t3v n ARG 11 N 1.81 2.99 -1.53 1.20 1.74 -1.26 -4.97 116.66 116.64 1t3v n ARG 11 Ca 0.47 -3.63 -0.08 0.00 -0.77 0.00 0.00 57.85 53.84 1t3v n ARG 11 Cb 0.29 -2.28 0.01 0.00 -1.02 0.00 0.00 32.46 29.46 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 -0.78 0.04 4.47 -0.13 0.00 -1.26 -0.92 105.19 106.61 1t3v n GLY 12 Ca 0.55 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.01 0.00 0.00 1.61 5.02 -1.26 -4.60 118.16 118.92 1t3v n LYS 13 Ca -0.02 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.29 1t3v n LYS 13 Cb 0.15 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.30 1t3v n LYS 13 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1t3v n ASP 14 N 2.59 0.00 -4.46 4.39 5.75 -0.09 -2.63 116.55 122.10 1t3v n ASP 14 Ca 0.00 -0.15 -0.48 0.00 -0.01 0.00 0.00 54.79 54.15 1t3v n ASP 14 Cb 0.00 -0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.01 1t3v n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1t3v n SER 15 N -1.00 1.98 -4.72 -1.12 7.64 -0.45 -4.77 113.62 111.18 1t3v n SER 15 Ca 0.04 0.29 -0.41 0.00 1.01 0.00 0.00 58.87 59.79 1t3v n SER 15 Cb 0.02 -1.27 -0.04 0.00 -1.01 0.00 0.00 64.21 61.91 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 6.70 4.51 0.28 1.43 0.04 -1.26 -1.46 135.00 145.24 1t3v s PRO 16 Ca 1.11 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 1t3v s PRO 16 Cb -0.82 -3.44 -0.11 0.00 0.04 0.00 0.00 34.50 30.17 1t3v s PRO 16 CO 0.46 0.04 1.62 -1.50 0.04 0.00 0.00 177.00 177.66 1t3v s ILE 17 N 0.79 2.05 0.99 0.56 2.07 -0.51 -0.72 121.20 126.43 1t3v s ILE 17 Ca 0.45 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.61 1t3v s ILE 17 Cb -0.20 -3.03 0.19 0.00 0.13 0.00 0.00 42.46 39.55 1t3v s ILE 17 CO 0.24 0.01 1.10 -0.55 -1.91 0.00 0.00 174.94 173.82 1t3v s SER 18 N 0.60 2.67 0.08 4.50 0.15 0.71 -4.58 113.70 117.84 1t3v s SER 18 Ca 0.65 1.18 0.20 0.00 0.70 0.00 0.00 55.95 58.68 1t3v s SER 18 Cb -0.48 -1.84 -0.13 0.00 -1.71 0.00 0.00 66.02 61.86 1t3v s SER 18 CO 0.46 -3.10 0.79 -0.62 1.20 0.00 0.00 173.24 171.96 1t3v n GLU 19 N -4.15 0.63 -3.70 5.44 4.71 -1.26 -4.39 120.64 117.91 1t3v n GLU 19 Ca 0.05 0.10 -0.22 0.00 -0.01 0.00 0.00 57.16 57.08 1t3v n GLU 19 Cb 0.57 -1.75 -0.03 0.00 -1.01 0.00 0.00 31.44 29.22 1t3v n GLU 19 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1t3v s HIS 20 N -3.14 2.53 0.08 -0.32 3.76 -1.26 -1.24 115.29 115.69 1t3v s HIS 20 Ca -0.03 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1t3v s HIS 20 Cb 0.10 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.69 1t3v s HIS 20 CO 0.82 -0.13 0.00 0.34 -0.85 0.00 0.00 174.74 174.93 1t3v n PHE 21 N -1.53 -0.08 0.45 1.40 7.35 -1.26 -4.65 117.46 119.15 1t3v n PHE 21 Ca 0.02 0.01 0.04 0.00 -0.76 0.00 0.00 57.45 56.77 1t3v n PHE 21 Cb 0.63 0.02 0.23 0.00 0.35 0.00 0.00 39.48 40.70 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 3.31 -0.42 2.60 7.13 0.00 -1.26 -0.99 105.19 115.55 1t3v n GLY 22 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.16 1.42 -1.95 1.61 5.12 -1.26 -4.93 116.66 115.50 1t3v n ARG 23 Ca 0.05 -2.92 -0.34 0.00 -1.93 0.00 0.00 57.85 52.71 1t3v n ARG 23 Cb 0.05 -1.05 0.03 0.00 -1.16 0.00 0.00 32.46 30.33 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 -2.66 2.54 -0.38 7.54 0.00 -0.17 -4.94 121.76 123.69 1t3v s ALA 24 Ca 0.24 0.72 0.22 0.00 0.00 0.00 0.00 51.96 53.14 1t3v s ALA 24 Cb 0.34 -3.36 0.27 0.00 0.00 0.00 0.00 23.12 20.37 1t3v s ALA 24 CO -0.07 -1.11 1.53 -1.00 0.00 0.00 0.00 175.76 175.12 1t3v h PRO 25 N 0.54 0.00 -3.23 0.00 0.13 -1.87 -3.42 132.00 124.15 1t3v h PRO 25 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1t3v h PRO 25 Cb 1.26 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 1t3v h PRO 25 CO 0.55 0.07 -0.11 0.71 -0.23 0.00 0.00 178.00 178.99 1t3v s TYR 26 N -3.19 -0.21 -0.26 1.56 2.02 -1.20 -2.44 117.35 113.63 1t3v s TYR 26 Ca 0.06 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 1t3v s TYR 26 Cb 0.06 0.21 0.07 0.00 -0.40 0.00 0.00 41.96 41.90 1t3v s TYR 26 CO 0.69 -0.62 -0.06 -0.06 -1.57 0.00 0.00 175.55 173.94 1t3v s PHE 27 N -3.08 2.87 -1.08 2.71 0.08 -0.34 -1.51 117.98 117.63 1t3v s PHE 27 Ca -0.01 -2.13 -0.22 0.00 0.12 0.00 0.00 56.93 54.69 1t3v s PHE 27 Cb 0.01 -1.88 0.05 0.00 -0.57 0.00 0.00 43.02 40.62 1t3v s PHE 27 CO -0.07 -0.84 1.55 0.00 -0.10 0.00 0.00 175.22 175.76 1t3v s ALA 28 N 1.23 2.80 0.37 5.36 0.00 0.40 -1.32 121.76 130.60 1t3v s ALA 28 Ca -0.04 -2.38 -0.26 0.00 0.00 0.00 0.00 51.96 49.27 1t3v s ALA 28 Cb -0.19 -4.56 -0.09 0.00 0.00 0.00 0.00 23.12 18.28 1t3v s ALA 28 CO -0.07 -3.62 1.17 -0.06 0.00 0.00 0.00 175.76 173.19 1t3v s PHE 29 N 5.10 3.16 -0.01 0.00 0.08 0.02 -0.43 117.98 125.91 1t3v s PHE 29 Ca 0.49 1.56 0.01 0.00 0.12 0.00 0.00 56.93 59.11 1t3v s PHE 29 Cb 0.01 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.06 1t3v s PHE 29 CO -0.05 -1.23 -0.02 0.08 -0.10 0.00 0.00 175.22 173.90 1t3v s VAL 30 N -1.34 0.17 0.00 -0.44 1.01 0.47 -0.47 120.40 119.79 1t3v s VAL 30 Ca 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1t3v s VAL 30 Cb -0.32 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1t3v s VAL 30 CO 0.40 0.06 0.00 0.29 0.00 0.00 0.00 175.10 175.86 1t3v n LYS 31 N 3.19 0.42 -3.86 2.72 5.02 0.08 0.28 118.16 126.01 1t3v n LYS 31 Ca -0.15 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.03 1t3v n LYS 31 Cb 0.58 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.47 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 -0.38 0.03 -0.01 -0.18 1.01 -0.62 -4.42 120.40 115.82 1t3v s VAL 32 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1t3v s VAL 32 Cb 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.19 1t3v s VAL 32 CO 0.00 -0.14 0.01 -0.75 0.00 0.00 0.00 175.10 174.23 1t3v s LYS 33 N -0.41 0.05 -0.82 2.72 2.36 0.03 -4.62 119.74 119.06 1t3v s LYS 33 Ca -0.05 0.09 -0.16 0.00 -2.55 0.00 0.00 55.97 53.30 1t3v s LYS 33 Cb -0.03 -0.21 0.02 0.00 -1.05 0.00 0.00 37.83 36.56 1t3v s LYS 33 CO 0.00 -0.09 0.31 0.09 1.55 0.00 0.00 175.35 177.21 1t3v n ASN 34 N 3.74 -1.68 -0.42 1.43 3.02 -1.26 -0.05 115.26 120.04 1t3v n ASN 34 Ca -0.22 -0.82 -0.05 0.00 -0.03 0.00 0.00 54.58 53.46 1t3v n ASN 34 Cb 0.54 -0.99 -0.02 0.00 -0.61 0.00 0.00 39.78 38.70 1t3v n ASN 34 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1t3v n ASN 35 N -1.17 -5.50 -4.45 6.41 5.15 -1.26 -4.98 115.26 109.45 1t3v n ASN 35 Ca -0.11 0.14 -0.31 0.00 -0.60 0.00 0.00 54.58 53.70 1t3v n ASN 35 Cb 0.37 -3.48 -0.07 0.00 -0.53 0.00 0.00 39.78 36.07 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t3v n ALA 36 N 1.10 0.47 0.27 5.20 0.00 0.93 -5.04 120.51 123.44 1t3v n ALA 36 Ca -0.05 -2.23 0.14 0.00 0.00 0.00 0.00 53.44 51.29 1t3v n ALA 36 Cb 0.49 1.29 0.72 0.00 0.00 0.00 0.00 19.45 21.95 1t3v n ALA 36 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1t3v h ILE 37 N 1.38 0.42 0.00 0.00 5.03 -1.82 0.12 117.51 122.65 1t3v h ILE 37 Ca -0.39 -0.58 0.00 0.00 -0.12 0.00 0.00 64.86 63.76 1t3v h ILE 37 Cb 1.26 1.41 0.00 0.00 -3.03 0.00 0.00 36.82 36.46 1t3v h ILE 37 CO 0.65 0.11 0.00 0.00 -0.68 0.00 0.00 178.15 178.22 1t3v n ALA 38 N -2.22 0.00 -3.17 1.87 0.00 -1.26 -2.94 120.51 112.78 1t3v n ALA 38 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 1t3v n ALA 38 Cb 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.84 -0.36 -0.05 0.00 1.01 -1.26 -4.97 116.67 109.19 1t3v s ASP 39 Ca 0.00 -0.21 0.04 0.00 0.71 0.00 0.00 52.55 53.10 1t3v s ASP 39 Cb 0.00 0.53 -0.00 0.00 1.01 0.00 0.00 42.92 44.45 1t3v s ASP 39 CO 0.00 -0.91 -0.18 -0.63 0.21 0.00 0.00 175.17 173.66 1t3v s ILE 40 N -3.79 1.55 -0.41 0.77 -1.09 -1.26 -0.74 121.20 116.23 1t3v s ILE 40 Ca 0.03 -0.77 0.07 0.00 -2.23 0.00 0.00 60.65 57.74 1t3v s ILE 40 Cb 0.01 -1.33 0.23 0.00 -1.58 0.00 0.00 42.46 39.79 1t3v s ILE 40 CO -0.12 0.44 0.49 -1.20 -1.23 0.00 0.00 174.94 173.33 1t3v n SER 41 N 3.18 0.22 -4.55 3.58 7.64 0.38 -4.99 113.62 119.07 1t3v n SER 41 Ca -0.18 -2.66 -0.40 0.00 1.01 0.00 0.00 58.87 56.64 1t3v n SER 41 Cb 0.53 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 1t3v n SER 41 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1t3v s VAL 42 N -0.99 3.66 0.31 0.44 1.01 -1.25 -0.80 120.40 122.77 1t3v s VAL 42 Ca 0.35 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1t3v s VAL 42 Cb 0.14 -4.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1t3v s VAL 42 CO -0.12 -1.62 0.48 -1.61 0.00 0.00 0.00 175.10 172.23 1t3v s GLU 43 N 5.97 3.47 1.02 2.72 0.41 -0.43 -4.93 118.70 126.93 1t3v s GLU 43 Ca 0.46 -0.47 -0.12 0.00 -0.41 0.00 0.00 54.97 54.42 1t3v s GLU 43 Cb -0.08 -2.74 0.16 0.00 -1.78 0.00 0.00 34.13 29.69 1t3v s GLU 43 CO 0.11 0.25 0.82 0.39 -0.49 0.00 0.00 175.26 176.34 1t3v n GLU 44 N -1.63 -1.10 -3.25 1.61 1.02 -1.26 -1.20 120.64 114.83 1t3v n GLU 44 Ca -0.06 -0.27 -0.46 0.00 -0.02 0.00 0.00 57.16 56.34 1t3v n GLU 44 Cb 0.56 -2.13 -0.04 0.00 -0.02 0.00 0.00 31.44 29.82 1t3v n GLU 44 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1t3v s ASN 45 N -2.35 6.42 0.00 1.62 -0.87 -1.02 -4.30 114.94 114.43 1t3v s ASN 45 Ca 0.64 -2.05 0.11 0.00 -1.57 0.00 0.00 52.86 49.99 1t3v s ASN 45 Cb -0.22 -2.24 0.66 0.00 -0.02 0.00 0.00 41.25 39.43 1t3v s ASN 45 CO 0.63 -0.82 1.10 -0.81 -2.57 0.00 0.00 177.10 174.63 1t3v n PRO 46 N 5.10 0.53 -2.65 -0.60 -0.04 -1.26 -1.95 135.00 134.12 1t3v n PRO 46 Ca -0.01 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.43 1t3v n PRO 46 Cb 0.43 -1.33 0.05 0.00 -0.04 0.00 0.00 33.50 32.61 1t3v n PRO 46 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1t3v n LEU 47 N -0.83 1.80 -0.23 1.53 7.99 -1.26 -4.93 117.00 121.07 1t3v n LEU 47 Ca 0.08 -3.08 0.06 0.00 -0.01 0.00 0.00 56.01 53.06 1t3v n LEU 47 Cb 0.04 0.37 0.31 0.00 -0.11 0.00 0.00 43.42 44.03 1t3v n LEU 47 CO 0.06 1.08 1.23 0.00 -1.51 0.00 0.00 177.39 178.25 1t3v h ALA 48 N 2.43 1.63 0.00 -1.18 0.00 -1.64 -3.32 119.26 117.19 1t3v h ALA 48 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1t3v h ALA 48 Cb 1.34 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1t3v h ALA 48 CO 0.22 0.24 -0.10 0.94 0.00 0.00 0.00 179.25 180.55 1t3v n GLN 49 N -4.48 0.00 -4.27 0.00 7.27 -1.26 -4.46 117.38 110.17 1t3v n GLN 49 Ca 0.12 -0.41 -0.33 0.00 0.07 0.00 0.00 57.00 56.45 1t3v n GLN 49 Cb 0.22 -0.31 -0.16 0.00 2.41 0.00 0.00 30.24 32.40 1t3v n GLN 49 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1t3v s ASP 50 N -0.21 3.35 0.00 1.69 2.15 -1.25 -4.71 116.67 117.69 1t3v s ASP 50 Ca 0.00 -0.58 0.00 0.00 0.43 0.00 0.00 52.55 52.40 1t3v s ASP 50 Cb 0.00 -1.52 0.00 0.00 -0.30 0.00 0.00 42.92 41.10 1t3v s ASP 50 CO 0.00 0.03 0.00 1.57 -0.17 0.00 0.00 175.17 176.60 1t3v n HIS 51 N 4.44 0.00 -4.13 -5.34 -0.00 -1.26 -4.68 115.22 104.25 1t3v n HIS 51 Ca -0.20 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.65 1t3v n HIS 51 Cb 0.51 -0.11 -0.06 0.00 -0.12 0.00 0.00 29.99 30.21 1t3v n HIS 51 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1t3v n VAL 52 N -0.22 -1.37 -0.87 3.57 0.31 -1.26 -4.83 118.33 113.67 1t3v n VAL 52 Ca 0.00 -0.48 -0.11 0.00 -0.01 0.00 0.00 64.34 63.74 1t3v n VAL 52 Cb 0.00 -1.25 -0.05 0.00 -0.91 0.00 0.00 33.84 31.63 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 -4.42 0.58 -2.24 3.52 -0.00 -1.26 -4.67 115.22 106.72 1t3v n HIS 53 Ca -0.24 -1.49 -0.19 0.00 0.46 0.00 0.00 57.72 56.26 1t3v n HIS 53 Cb 0.60 -1.03 -0.02 0.00 -0.12 0.00 0.00 29.99 29.42 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 1.42 -0.08 0.02 1.57 0.00 -1.26 -4.90 105.19 101.96 1t3v n GLY 54 Ca 0.26 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.43 3.62 -0.10 4.61 0.00 -1.26 -4.17 120.51 121.78 1t3v n ALA 55 Ca -0.22 -0.51 -0.07 0.00 0.00 0.00 0.00 53.44 52.65 1t3v n ALA 55 Cb 0.66 -0.82 -0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 0.37 0.00 0.00 2.07 -1.90 -1.09 116.25 115.69 1t3v h VAL 56 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1t3v h VAL 56 Cb 0.76 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1t3v h VAL 56 CO 0.00 0.00 -0.55 1.55 0.02 0.00 0.00 177.57 178.59 1t3v h PRO 57 N -0.19 0.00 -0.19 1.57 0.14 -1.97 -3.18 132.00 128.18 1t3v h PRO 57 Ca 0.18 0.00 -0.06 0.00 0.14 0.00 0.00 66.00 66.25 1t3v h PRO 57 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.59 1t3v h PRO 57 CO -0.47 0.55 -0.17 -0.97 0.14 0.00 0.00 178.00 177.09 1t3v h ASN 58 N 0.00 0.30 0.38 1.44 -0.73 -1.40 0.49 115.58 116.06 1t3v h ASN 58 Ca -0.01 -0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.07 1t3v h ASN 58 Cb 0.98 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1t3v h ASN 58 CO 0.07 0.49 -0.21 0.15 -0.37 0.00 0.00 177.43 177.56 1t3v h PHE 59 N 0.29 -0.57 0.00 0.67 3.57 -1.31 -3.25 116.94 116.34 1t3v h PHE 59 Ca 0.05 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1t3v h PHE 59 Cb 0.48 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1t3v h PHE 59 CO 0.01 -0.33 -0.10 -0.39 -2.23 0.00 0.00 178.31 175.27 1t3v h VAL 60 N -0.55 0.81 0.00 1.41 -1.51 -1.43 0.31 116.25 115.28 1t3v h VAL 60 Ca -0.05 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1t3v h VAL 60 Cb 0.43 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1t3v h VAL 60 CO 0.07 0.10 0.00 0.50 -1.23 0.00 0.00 177.57 177.01 1t3v h LYS 61 N 0.00 0.00 0.00 5.19 3.11 -1.00 -0.07 116.57 123.80 1t3v h LYS 61 Ca -0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1t3v h LYS 61 Cb 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1t3v h LYS 61 CO 0.01 0.00 -0.07 1.05 -2.81 0.00 0.00 179.45 177.64 1t3v h GLU 62 N 0.00 0.00 -1.53 1.90 -0.00 -0.96 -3.39 114.58 110.60 1t3v h GLU 62 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 59.36 59.14 1t3v h GLU 62 Cb 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 28.75 28.84 1t3v h GLU 62 CO 0.00 0.07 0.29 1.63 -0.00 0.00 0.00 179.01 180.99 1t3v n LYS 63 N -3.12 1.55 -1.39 1.06 4.76 -0.04 -4.84 118.16 116.14 1t3v n LYS 63 Ca 0.04 -1.11 -0.14 0.00 -2.87 0.00 0.00 58.31 54.23 1t3v n LYS 63 Cb 0.56 -1.43 -0.06 0.00 -1.84 0.00 0.00 35.03 32.26 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 0.53 1.31 3.78 0.72 0.00 -1.26 -4.90 105.19 105.36 1t3v n GLY 64 Ca 0.21 0.00 -0.29 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 -2.16 1.83 0.00 4.61 0.00 -1.26 -4.66 121.76 120.13 1t3v s ALA 65 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1t3v s ALA 65 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1t3v s ALA 65 CO 0.00 -2.18 0.00 0.39 0.00 0.00 0.00 175.76 173.97 1t3v n GLU 66 N -3.71 1.43 -4.15 0.00 1.02 -1.12 -4.85 120.64 109.26 1t3v n GLU 66 Ca 0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.10 1t3v n GLU 66 Cb 0.58 -0.42 -0.10 0.00 -0.02 0.00 0.00 31.44 31.48 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 -0.71 2.48 -0.17 -4.62 2.96 0.39 -1.36 118.68 117.64 1t3v s LEU 67 Ca 0.00 -0.94 -0.07 0.00 -0.22 0.00 0.00 54.13 52.90 1t3v s LEU 67 Cb 0.00 -0.08 0.08 0.00 0.50 0.00 0.00 46.19 46.68 1t3v s LEU 67 CO 0.00 -0.43 0.38 -0.69 -1.32 0.00 0.00 176.35 174.28 1t3v s VAL 68 N -3.32 -0.42 -0.32 1.68 1.01 -0.94 -1.36 120.40 116.71 1t3v s VAL 68 Ca 0.09 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 1t3v s VAL 68 Cb 0.03 -0.59 0.06 0.00 0.00 0.00 0.00 36.38 35.88 1t3v s VAL 68 CO -0.04 0.07 0.04 -0.63 0.00 0.00 0.00 175.10 174.54 1t3v s ILE 69 N 2.22 3.02 0.48 2.22 1.01 -0.18 -0.64 121.20 129.34 1t3v s ILE 69 Ca -0.03 -1.55 0.03 0.00 0.00 0.00 0.00 60.65 59.10 1t3v s ILE 69 Cb -0.11 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1t3v s ILE 69 CO -0.12 -0.24 0.01 0.68 0.00 0.00 0.00 174.94 175.27 1t3v s VAL 70 N 1.22 1.36 0.00 2.92 -7.23 -0.18 -4.40 120.40 114.09 1t3v s VAL 70 Ca -0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1t3v s VAL 70 Cb -0.20 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1t3v s VAL 70 CO -0.02 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.31 1t3v n ARG 71 N -1.17 0.00 0.07 4.82 1.74 -1.26 -1.88 116.66 118.98 1t3v n ARG 71 Ca -0.15 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.70 1t3v n ARG 71 Cb 0.67 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.96 1t3v n ARG 71 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1t3v h GLY 72 N 0.00 0.45 0.00 -0.13 0.00 -1.49 -3.29 103.07 98.61 1t3v h GLY 72 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 47.33 46.18 1t3v h GLY 72 CO 0.00 1.00 0.00 4.51 0.00 0.00 0.00 176.54 182.05 1t3v n ILE 73 N -3.65 0.00 -3.64 2.60 3.06 -1.20 -4.93 119.36 111.59 1t3v n ILE 73 Ca -0.24 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 59.99 1t3v n ILE 73 Cb 1.05 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 41.20 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 -0.19 -0.06 0.40 4.50 0.00 -1.26 -4.75 107.32 105.97 1t3v s GLY 74 Ca 0.00 2.36 0.07 0.00 0.00 0.00 0.00 44.72 47.15 1t3v s GLY 74 CO 0.00 0.86 2.03 -0.09 0.00 0.00 0.00 173.10 175.90 1t3v h ARG 75 N 2.01 0.54 -0.15 2.90 9.65 -1.99 -0.54 114.38 126.80 1t3v h ARG 75 Ca -0.05 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1t3v h ARG 75 Cb 1.15 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 1t3v h ARG 75 CO 0.20 0.39 0.26 0.07 2.80 0.00 0.00 179.97 183.68 1t3v h ARG 76 N 0.55 0.00 0.00 0.20 0.11 -2.00 -0.96 114.38 112.29 1t3v h ARG 76 Ca 0.15 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.94 1t3v h ARG 76 Cb -0.01 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.02 1t3v h ARG 76 CO -0.03 0.00 -2.21 0.00 0.10 0.00 0.00 179.97 177.83 1t3v n ALA 77 N -2.18 1.77 -0.21 0.08 0.00 -0.26 -4.04 120.51 115.68 1t3v n ALA 77 Ca 0.01 -1.10 0.02 0.00 0.00 0.00 0.00 53.44 52.37 1t3v n ALA 77 Cb 0.36 -0.38 0.12 0.00 0.00 0.00 0.00 19.45 19.55 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 0.00 0.64 -0.88 0.00 1.08 -0.86 -2.22 117.51 115.28 1t3v h ILE 78 Ca -0.40 -0.10 0.23 0.00 -0.39 0.00 0.00 64.86 64.20 1t3v h ILE 78 Cb 1.96 0.32 -0.05 0.00 -3.07 0.00 0.00 36.82 35.98 1t3v h ILE 78 CO 0.03 0.05 0.61 0.00 -0.69 0.00 0.00 178.15 178.15 1t3v h ALA 79 N 1.49 2.59 0.07 1.87 0.00 -1.34 0.75 119.26 124.68 1t3v h ALA 79 Ca 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1t3v h ALA 79 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1t3v h ALA 79 CO -0.40 -0.85 -0.03 0.00 0.00 0.00 0.00 179.25 177.96 1t3v h ALA 80 N 1.59 -0.09 -0.13 0.00 0.00 -1.57 -3.10 119.26 115.96 1t3v h ALA 80 Ca 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1t3v h ALA 80 Cb 1.47 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1t3v h ALA 80 CO -0.07 -0.11 -0.03 0.74 0.00 0.00 0.00 179.25 179.77 1t3v h PHE 81 N -0.97 0.18 -0.52 0.00 0.04 -1.50 -0.51 116.94 113.67 1t3v h PHE 81 Ca -0.01 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.85 1t3v h PHE 81 Cb 0.48 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 1t3v h PHE 81 CO 0.11 0.22 0.35 0.93 -0.60 0.00 0.00 178.31 179.32 1t3v h GLU 82 N 0.18 0.28 0.00 1.51 4.39 -0.94 0.19 114.58 120.19 1t3v h GLU 82 Ca 0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1t3v h GLU 82 Cb 0.18 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1t3v h GLU 82 CO 0.01 0.19 0.00 0.00 -1.16 0.00 0.00 179.01 178.04 1t3v h ALA 83 N 1.74 1.00 -0.15 3.43 0.00 -1.00 -2.89 119.26 121.39 1t3v h ALA 83 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1t3v h ALA 83 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1t3v h ALA 83 CO -0.05 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1t3v n MET 84 N -2.88 1.78 -1.77 0.00 -0.00 -0.81 -4.98 117.12 108.46 1t3v n MET 84 Ca 0.02 -1.51 -0.16 0.00 -0.00 0.00 0.00 57.70 56.05 1t3v n MET 84 Cb 0.35 -1.17 -0.05 0.00 -0.00 0.00 0.00 33.22 32.36 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 0.28 0.91 3.65 3.17 0.00 -0.72 -4.95 105.19 107.52 1t3v n GLY 85 Ca 0.06 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.67 4.53 0.51 1.61 1.01 0.58 -4.98 120.40 120.99 1t3v s VAL 86 Ca 0.00 1.80 -0.23 0.00 0.00 0.00 0.00 61.98 63.55 1t3v s VAL 86 Cb 0.00 -4.33 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 1t3v s VAL 86 CO 0.00 -0.35 1.32 1.17 0.00 0.00 0.00 175.10 177.24 1t3v n LYS 87 N 6.68 1.77 -4.26 2.72 4.81 -0.46 -4.26 118.16 125.16 1t3v n LYS 87 Ca 0.12 0.64 -0.22 0.00 -0.87 0.00 0.00 58.31 57.98 1t3v n LYS 87 Cb 0.46 -2.51 -0.17 0.00 0.02 0.00 0.00 35.03 32.84 1t3v n LYS 87 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1t3v s VAL 88 N -1.27 0.78 -0.11 3.15 1.01 -1.26 -2.23 120.40 120.47 1t3v s VAL 88 Ca 0.68 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1t3v s VAL 88 Cb -0.44 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1t3v s VAL 88 CO 0.52 0.28 -0.15 -0.63 0.00 0.00 0.00 175.10 175.13 1t3v s ILE 89 N 0.96 2.87 -0.02 2.22 1.01 0.19 -4.87 121.20 123.57 1t3v s ILE 89 Ca -0.10 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1t3v s ILE 89 Cb -0.15 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.15 1t3v s ILE 89 CO 0.00 0.54 -0.06 -0.54 0.00 0.00 0.00 174.94 174.88 1t3v s LYS 90 N 0.17 0.71 0.00 2.79 3.01 -1.02 -1.01 119.74 124.39 1t3v s LYS 90 Ca -0.09 -0.21 0.00 0.00 -1.01 0.00 0.00 55.97 54.67 1t3v s LYS 90 Cb -0.15 -0.70 0.00 0.00 -1.01 0.00 0.00 37.83 35.97 1t3v s LYS 90 CO 0.05 0.07 0.00 0.41 0.51 0.00 0.00 175.35 176.39 1t3v n GLY 91 N 3.35 0.38 3.66 -3.33 0.00 -0.79 -3.19 105.19 105.28 1t3v n GLY 91 Ca -0.18 0.00 -0.29 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 -1.29 0.91 0.18 4.61 0.00 -0.92 -4.95 121.76 120.31 1t3v s ALA 92 Ca 0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 1t3v s ALA 92 Cb 0.00 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 20.18 1t3v s ALA 92 CO 0.00 -3.11 0.74 -1.54 0.00 0.00 0.00 175.76 171.85 1t3v s SER 93 N -3.76 -0.37 0.00 0.00 1.04 -1.26 -4.66 113.70 104.68 1t3v s SER 93 Ca 0.68 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1t3v s SER 93 Cb -0.14 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1t3v s SER 93 CO 0.56 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1t3v n GLY 94 N -0.40 -1.54 3.88 7.32 0.00 -1.26 -4.49 105.19 108.69 1t3v n GLY 94 Ca -0.10 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.56 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 3.90 0.16 2.61 -4.23 -1.26 -1.43 115.64 115.39 1t3v s THR 95 Ca 0.00 0.62 -0.17 0.00 -1.18 0.00 0.00 61.69 60.96 1t3v s THR 95 Cb 0.00 -3.60 0.07 0.00 1.34 0.00 0.00 72.50 70.31 1t3v s THR 95 CO 0.00 -0.81 1.68 0.58 -0.54 0.00 0.00 174.62 175.53 1t3v h VAL 96 N -0.55 0.66 0.00 2.29 2.07 -1.01 0.95 116.25 120.66 1t3v h VAL 96 Ca -0.45 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1t3v h VAL 96 Cb 1.23 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1t3v h VAL 96 CO 0.63 0.00 -0.07 1.05 0.02 0.00 0.00 177.57 179.20 1t3v h GLU 97 N 0.02 0.00 0.00 1.57 4.11 -1.85 -0.89 114.58 117.54 1t3v h GLU 97 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.60 1t3v h GLU 97 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1t3v h GLU 97 CO -0.36 0.07 -0.06 1.49 0.07 0.00 0.00 179.01 180.23 1t3v h GLU 98 N 0.00 0.00 -0.62 1.06 4.57 -1.61 -3.11 114.58 114.87 1t3v h GLU 98 Ca -0.00 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.27 1t3v h GLU 98 Cb 0.17 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.69 1t3v h GLU 98 CO 0.01 0.54 0.24 0.28 -1.18 0.00 0.00 179.01 178.90 1t3v h VAL 99 N -1.00 0.77 -0.45 0.32 2.07 -0.61 0.11 116.25 117.46 1t3v h VAL 99 Ca -0.01 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1t3v h VAL 99 Cb 0.56 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1t3v h VAL 99 CO -0.01 0.08 0.01 0.58 0.02 0.00 0.00 177.57 178.25 1t3v h VAL 100 N 0.43 1.26 -0.02 2.57 2.07 -1.33 -2.53 116.25 118.69 1t3v h VAL 100 Ca 0.31 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1t3v h VAL 100 Cb 0.39 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1t3v h VAL 100 CO -0.31 0.35 -0.07 -1.13 0.02 0.00 0.00 177.57 176.44 1t3v h ASN 101 N 0.64 -0.19 -0.86 0.57 -0.73 -1.22 -1.13 115.58 112.65 1t3v h ASN 101 Ca 0.13 0.03 0.06 0.00 1.87 0.00 0.00 56.30 58.40 1t3v h ASN 101 Cb 0.48 0.09 -0.06 0.00 0.27 0.00 0.00 38.32 39.09 1t3v h ASN 101 CO 0.02 -0.10 0.53 1.56 -0.37 0.00 0.00 177.43 179.08 1t3v h GLN 102 N -0.10 0.94 0.22 6.67 1.08 -0.60 0.27 115.11 123.59 1t3v h GLN 102 Ca 0.03 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1t3v h GLN 102 Cb 0.15 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1t3v h GLN 102 CO -0.08 0.62 -0.11 -0.92 -0.95 0.00 0.00 178.83 177.39 1t3v h TYR 103 N 0.97 -0.28 0.00 2.96 3.20 -1.42 -0.75 116.97 121.65 1t3v h TYR 103 Ca 0.38 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.21 1t3v h TYR 103 Cb 0.18 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1t3v h TYR 103 CO -0.03 0.09 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.36 1t3v h LEU 104 N -0.71 0.00 -0.16 2.82 3.38 -0.50 0.12 115.31 120.25 1t3v h LEU 104 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1t3v h LEU 104 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1t3v h LEU 104 CO 0.05 0.14 -0.04 -1.20 0.09 0.00 0.00 178.44 177.48 1t3v n SER 105 N -3.90 0.30 0.00 -0.43 7.64 0.89 -4.93 113.62 113.18 1t3v n SER 105 Ca -0.02 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1t3v n SER 105 Cb 0.24 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 1.19 0.50 0.07 0.23 0.00 0.41 -4.93 105.19 102.66 1t3v n GLY 106 Ca 0.17 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 0.63 0.00 -7.44 1.61 4.20 -1.33 -3.49 115.11 109.30 1t3v h GLN 107 Ca 0.00 -0.01 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 1t3v h GLN 107 Cb 0.00 0.00 0.12 0.00 0.30 0.00 0.00 27.48 27.90 1t3v h GLN 107 CO 0.00 0.65 0.32 -1.17 -0.67 0.00 0.00 178.83 177.96 1t3v s LEU 108 N -6.28 2.39 0.25 1.46 2.96 -1.09 -4.99 118.68 113.38 1t3v s LEU 108 Ca -0.03 1.20 0.02 0.00 -0.22 0.00 0.00 54.13 55.09 1t3v s LEU 108 Cb 0.09 -3.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1t3v s LEU 108 CO 0.82 -2.18 0.06 -1.59 -1.32 0.00 0.00 176.35 172.14 1t3v s LYS 109 N -5.19 1.38 -0.05 1.98 0.00 -1.26 -4.97 119.74 111.62 1t3v s LYS 109 Ca 0.62 -1.73 0.07 0.00 0.00 0.00 0.00 55.97 54.93 1t3v s LYS 109 Cb -0.15 -0.38 0.11 0.00 0.00 0.00 0.00 37.83 37.41 1t3v s LYS 109 CO 0.54 -0.23 1.04 -0.40 0.00 0.00 0.00 175.35 176.30 1t3v n ASP 110 N -0.45 2.01 -3.80 0.03 5.68 -1.25 -2.44 116.55 116.34 1t3v n ASP 110 Ca -0.02 -2.37 -0.25 0.00 -0.50 0.00 0.00 54.79 51.65 1t3v n ASP 110 Cb 0.65 -0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 40.44 1t3v n ASP 110 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1t3v n SER 111 N -0.82 -0.82 -2.97 -1.12 3.41 -1.19 -3.00 113.62 107.11 1t3v n SER 111 Ca 0.06 -0.83 -0.17 0.00 -0.26 0.00 0.00 58.87 57.67 1t3v n SER 111 Cb 0.42 -1.01 -0.01 0.00 -0.26 0.00 0.00 64.21 63.35 1t3v n SER 111 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1t3v n ASP 112 N -1.42 -3.46 -4.66 4.04 5.75 -1.26 -4.92 116.55 110.61 1t3v n ASP 112 Ca -0.15 -0.11 -0.43 0.00 -0.01 0.00 0.00 54.79 54.10 1t3v n ASP 112 Cb 0.41 -2.92 -0.02 0.00 -1.03 0.00 0.00 41.12 37.56 1t3v n ASP 112 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1t3v s TYR 113 N -2.73 3.03 -0.17 2.11 5.04 -1.16 -4.99 117.35 118.48 1t3v s TYR 113 Ca 0.23 1.16 -0.29 0.00 -2.44 0.00 0.00 57.07 55.73 1t3v s TYR 113 Cb -0.12 -3.43 -0.04 0.00 0.35 0.00 0.00 41.96 38.73 1t3v s TYR 113 CO 0.28 -1.31 1.67 -1.83 -1.34 0.00 0.00 175.55 173.02 1t3v s GLU 114 N 3.23 3.87 -1.39 4.97 -1.05 -1.26 -4.92 118.70 122.14 1t3v s GLU 114 Ca 0.52 1.86 -0.13 0.00 -0.15 0.00 0.00 54.97 57.06 1t3v s GLU 114 Cb -0.20 -4.05 0.08 0.00 -0.44 0.00 0.00 34.13 29.52 1t3v s GLU 114 CO 0.13 -1.21 2.06 1.55 0.95 0.00 0.00 175.26 178.74 1t3v n VAL 115 N 6.21 3.75 -2.27 1.83 3.14 -1.26 -4.55 118.33 125.19 1t3v n VAL 115 Ca 0.19 -3.53 0.00 0.00 -2.96 0.00 0.00 64.34 58.04 1t3v n VAL 115 Cb 0.44 -2.52 0.00 0.00 -1.06 0.00 0.00 33.84 30.71 1t3v n VAL 115 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1t3v n HIS 116 N 5.80 -4.78 -1.55 1.45 -0.00 -1.26 -4.85 115.22 110.03 1t3v n HIS 116 Ca 0.48 2.86 -0.46 0.00 0.46 0.00 0.00 57.72 61.06 1t3v n HIS 116 Cb 0.39 -3.71 -0.04 0.00 -0.12 0.00 0.00 29.99 26.51 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 1.90 2.87 -3.47 0.26 2.03 -1.26 -4.93 116.55 113.95 1t3v n ASP 117 Ca 0.00 0.27 -0.13 0.00 0.52 0.00 0.00 54.79 55.45 1t3v n ASP 117 Cb 0.00 -1.46 -0.03 0.00 -0.72 0.00 0.00 41.12 38.91 1t3v n ASP 117 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1t3v s HIS 118 N 8.01 -0.52 -0.30 -0.67 -3.43 -1.26 -5.13 115.29 111.98 1t3v s HIS 118 Ca 1.04 0.44 -0.44 0.00 -0.80 0.00 0.00 55.06 55.31 1t3v s HIS 118 Cb -0.51 0.49 -0.19 0.00 -1.43 0.00 0.00 32.58 30.94 1t3v s HIS 118 CO 0.40 -0.78 1.46 0.72 -2.00 0.00 0.00 174.74 174.54 1t3v n HIS 119 N -0.08 1.49 -1.65 0.38 8.25 -1.26 -4.78 115.22 117.57 1t3v n HIS 119 Ca -0.17 1.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.88 1t3v n HIS 119 Cb 0.63 -2.23 -0.02 0.00 1.12 0.00 0.00 29.99 29.49 1t3v n HIS 119 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1t3v n HIS 120 N 3.44 3.08 -4.21 4.41 -0.00 -1.26 -4.82 115.22 115.86 1t3v n HIS 120 Ca 0.27 -2.51 0.00 0.00 0.46 0.00 0.00 57.72 55.93 1t3v n HIS 120 Cb 0.02 -2.30 0.00 0.00 -0.12 0.00 0.00 29.99 27.59 1t3v n HIS 120 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1t3v n HIS 121 N 7.21 -1.09 -1.51 1.57 -0.00 -1.26 -4.54 115.22 115.61 1t3v n HIS 121 Ca 0.51 0.00 -0.50 0.00 0.46 0.00 0.00 57.72 58.19 1t3v n HIS 121 Cb 0.41 0.19 -0.04 0.00 -0.12 0.00 0.00 29.99 30.42 1t3v n HIS 121 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1t3v n GLU 122 N -0.41 0.63 -0.95 1.57 4.71 -1.26 -4.81 120.64 120.12 1t3v n GLU 122 Ca 0.00 0.22 -0.11 0.00 -0.01 0.00 0.00 57.16 57.26 1t3v n GLU 122 Cb 0.00 -1.54 -0.13 0.00 -1.01 0.00 0.00 31.44 28.76 1t3v n GLU 122 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1t3v n HIS 123 N 0.82 0.14 -0.49 -0.32 -0.00 -1.26 -5.17 115.22 108.94 1t3v n HIS 123 Ca 0.16 -1.45 0.00 0.00 0.46 0.00 0.00 57.72 56.89 1t3v n HIS 123 Cb 0.23 -1.38 0.00 0.00 -0.12 0.00 0.00 29.99 28.72 1t3v n HIS 123 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38