#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3o s SER -8 N 0.00 3.50 0.19 4.39 0.01 -1.26 -5.12 113.70 115.41 1t3o s SER -8 Ca 0.00 -1.72 0.00 0.00 1.31 0.00 0.00 55.95 55.54 1t3o s SER -8 Cb 0.00 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 1t3o s SER -8 CO 0.00 -0.38 0.07 -0.55 0.41 0.00 0.00 173.24 172.79 1t3o s SER -7 N 1.57 0.72 -0.57 2.44 0.15 -1.26 -4.89 113.70 111.87 1t3o s SER -7 Ca 0.12 -1.29 -0.00 0.00 0.70 0.00 0.00 55.95 55.48 1t3o s SER -7 Cb -0.19 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1t3o s SER -7 CO -0.21 -0.72 0.48 0.61 1.20 0.00 0.00 173.24 174.60 1t3o n GLY -6 N -0.27 0.07 3.57 9.45 0.00 -1.26 -4.99 105.19 111.75 1t3o n GLY -6 Ca -0.02 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1t3o n GLY -6 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1t3o s HIS -5 N -3.17 3.22 -0.30 1.61 5.65 -1.26 -5.04 115.29 116.00 1t3o s HIS -5 Ca 0.01 0.16 -0.29 0.00 0.25 0.00 0.00 55.06 55.20 1t3o s HIS -5 Cb -0.00 -2.59 0.01 0.00 -1.18 0.00 0.00 32.58 28.82 1t3o s HIS -5 CO 0.35 -0.31 1.11 0.42 -0.65 0.00 0.00 174.74 175.66 1t3o s ILE -4 N 2.00 4.46 -0.53 0.89 1.09 -1.26 -4.88 121.20 122.97 1t3o s ILE -4 Ca 0.12 1.70 0.14 0.00 -1.10 0.00 0.00 60.65 61.51 1t3o s ILE -4 Cb -0.16 -4.35 0.44 0.00 -1.06 0.00 0.00 42.46 37.33 1t3o s ILE -4 CO 0.11 -0.43 1.35 -0.62 -0.10 0.00 0.00 174.94 175.25 1t3o n GLU -3 N 6.86 2.94 -2.91 2.79 1.02 -1.26 -4.93 120.64 125.16 1t3o n GLU -3 Ca 0.12 -2.49 -0.14 0.00 -0.02 0.00 0.00 57.16 54.63 1t3o n GLU -3 Cb 0.47 -1.59 0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1t3o n GLU -3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t3o n GLY -2 N -0.01 -0.03 3.94 0.62 0.00 -1.26 -4.83 105.19 103.62 1t3o n GLY -2 Ca 0.17 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1t3o n GLY -2 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t3o s ARG -1 N -5.48 2.84 -0.05 1.61 1.70 -1.26 -4.50 118.95 113.80 1t3o s ARG -1 Ca 0.26 -0.30 0.00 0.00 -0.47 0.00 0.00 55.73 55.22 1t3o s ARG -1 Cb -0.11 -2.38 0.02 0.00 -0.57 0.00 0.00 34.95 31.90 1t3o s ARG -1 CO 0.32 -0.62 -0.03 -3.38 -1.08 0.00 0.00 175.30 170.52 1t3o s HIS 0 N -2.84 0.63 -0.36 5.89 -3.43 -1.06 -4.93 115.29 109.19 1t3o s HIS 0 Ca 0.53 -0.15 -0.09 0.00 -0.80 0.00 0.00 55.06 54.55 1t3o s HIS 0 Cb -0.10 -0.63 0.03 0.00 -1.43 0.00 0.00 32.58 30.44 1t3o s HIS 0 CO 0.42 -0.20 0.17 1.41 -2.00 0.00 0.00 174.74 174.53 1t3o s MET 1 N 1.13 2.81 -0.31 -0.38 0.00 -1.26 -2.25 119.30 119.04 1t3o s MET 1 Ca -0.08 -1.07 -0.11 0.00 0.00 0.00 0.00 55.69 54.42 1t3o s MET 1 Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 34.83 31.04 1t3o s MET 1 CO -0.01 -0.66 0.20 -1.17 0.00 0.00 0.00 175.02 173.38 1t3o s LEU 2 N 1.51 4.24 -0.20 4.11 1.98 0.95 -4.89 118.68 126.38 1t3o s LEU 2 Ca 0.01 -0.30 -0.18 0.00 -2.89 0.00 0.00 54.13 50.78 1t3o s LEU 2 Cb -0.19 -2.10 -0.03 0.00 0.66 0.00 0.00 46.19 44.53 1t3o s LEU 2 CO 0.05 -0.16 0.49 0.54 -1.89 0.00 0.00 176.35 175.38 1t3o s VAL 3 N 1.71 5.13 -0.02 1.68 0.11 -1.26 -0.45 120.40 127.30 1t3o s VAL 3 Ca 0.06 0.89 0.01 0.00 -2.93 0.00 0.00 61.98 60.01 1t3o s VAL 3 Cb -0.17 -3.81 -0.03 0.00 -1.53 0.00 0.00 36.38 30.84 1t3o s VAL 3 CO 0.10 0.19 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.28 1t3o s LEU 4 N 1.60 3.42 -0.55 2.54 1.43 0.38 -4.81 118.68 122.69 1t3o s LEU 4 Ca 0.23 -0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 53.07 1t3o s LEU 4 Cb -0.15 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.19 1t3o s LEU 4 CO 0.09 0.30 0.93 -0.94 0.23 0.00 0.00 176.35 176.97 1t3o s SER 5 N -1.38 6.33 -0.14 2.29 1.04 -1.26 -0.84 113.70 119.75 1t3o s SER 5 Ca 0.18 -0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.18 1t3o s SER 5 Cb -0.11 -2.43 0.07 0.00 0.10 0.00 0.00 66.02 63.64 1t3o s SER 5 CO 0.08 -1.22 0.22 -0.60 0.98 0.00 0.00 173.24 172.70 1t3o s ARG 6 N 3.92 0.13 -0.73 4.02 6.06 -1.14 -4.94 118.95 126.26 1t3o s ARG 6 Ca 0.30 0.55 -0.02 0.00 -2.50 0.00 0.00 55.73 54.06 1t3o s ARG 6 Cb -0.13 -0.41 0.41 0.00 0.06 0.00 0.00 34.95 34.88 1t3o s ARG 6 CO 0.19 -0.39 1.99 1.63 -2.50 0.00 0.00 175.30 176.22 1t3o n LYS 7 N 5.34 2.75 0.00 5.12 4.01 -1.20 -3.78 118.16 130.40 1t3o n LYS 7 Ca -0.05 -3.43 0.00 0.00 -0.51 0.00 0.00 58.31 54.31 1t3o n LYS 7 Cb 0.50 -2.28 0.00 0.00 -0.51 0.00 0.00 35.03 32.74 1t3o n LYS 7 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1t3o n ILE 8 N -0.75 0.00 -2.98 -0.18 2.08 -1.26 -4.99 119.36 111.28 1t3o n ILE 8 Ca 0.58 -0.16 -0.14 0.00 0.56 0.00 0.00 62.75 63.59 1t3o n ILE 8 Cb 0.49 0.65 -0.01 0.00 -0.75 0.00 0.00 39.64 40.01 1t3o n ILE 8 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1t3o n ASN 9 N -1.01 -2.37 -3.91 4.38 0.23 -1.25 -4.94 115.26 106.39 1t3o n ASN 9 Ca 0.00 -0.02 -0.30 0.00 -0.53 0.00 0.00 54.58 53.73 1t3o n ASN 9 Cb 0.00 -2.06 0.22 0.00 -2.08 0.00 0.00 39.78 35.86 1t3o n ASN 9 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1t3o s GLU 10 N -5.56 -0.57 -0.05 -3.83 -1.05 -1.26 -5.05 118.70 101.33 1t3o s GLU 10 Ca 0.21 -0.20 0.00 0.00 -0.15 0.00 0.00 54.97 54.83 1t3o s GLU 10 Cb -0.12 -1.68 -0.03 0.00 -0.44 0.00 0.00 34.13 31.85 1t3o s GLU 10 CO 0.26 -3.26 -0.02 0.00 0.95 0.00 0.00 175.26 173.19 1t3o s ALA 11 N -3.33 3.19 -0.35 -0.84 0.00 -1.26 -4.76 121.76 114.40 1t3o s ALA 11 Ca 0.72 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.71 1t3o s ALA 11 Cb -0.07 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.74 1t3o s ALA 11 CO 0.55 0.61 0.14 0.42 0.00 0.00 0.00 175.76 177.48 1t3o s ILE 12 N -0.94 4.01 -0.34 0.00 1.09 -1.16 -4.98 121.20 118.88 1t3o s ILE 12 Ca 0.15 -1.08 0.01 0.00 -1.10 0.00 0.00 60.65 58.63 1t3o s ILE 12 Cb -0.11 -3.27 0.11 0.00 -1.06 0.00 0.00 42.46 38.12 1t3o s ILE 12 CO 0.05 -0.22 0.11 -1.58 -0.10 0.00 0.00 174.94 173.20 1t3o s GLN 13 N 1.44 1.01 -0.20 2.79 2.00 -1.26 -0.95 119.66 124.49 1t3o s GLN 13 Ca -0.00 -1.44 -0.00 0.00 -2.00 0.00 0.00 55.36 51.91 1t3o s GLN 13 Cb -0.20 -2.38 0.02 0.00 0.80 0.00 0.00 33.01 31.25 1t3o s GLN 13 CO 0.04 -1.00 -0.14 0.96 -0.50 0.00 0.00 175.29 174.64 1t3o s ILE 14 N 1.23 2.45 0.00 -2.34 -0.00 -0.48 -4.90 121.20 117.16 1t3o s ILE 14 Ca 0.11 -0.89 0.00 0.00 -0.00 0.00 0.00 60.65 59.87 1t3o s ILE 14 Cb -0.19 -2.10 0.00 0.00 -0.00 0.00 0.00 42.46 40.17 1t3o s ILE 14 CO -0.17 0.44 0.00 0.61 -0.00 0.00 0.00 174.94 175.82 1t3o n GLY 15 N 4.65 1.68 0.00 6.27 0.00 -1.26 -3.14 105.19 113.39 1t3o n GLY 15 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1t3o n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3o n ALA 16 N 0.01 0.00 0.12 4.61 0.00 -1.26 -5.01 120.51 118.98 1t3o n ALA 16 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1t3o n ALA 16 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1t3o n ALA 16 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1t3o h ASP 17 N 0.00 0.68 -3.30 0.00 3.58 -1.91 -3.43 116.42 112.04 1t3o h ASP 17 Ca 0.00 -0.69 -0.62 0.00 0.42 0.00 0.00 57.03 56.14 1t3o h ASP 17 Cb 0.00 -0.22 -0.36 0.00 1.72 0.00 0.00 39.33 40.47 1t3o h ASP 17 CO 0.00 1.53 -0.82 -0.63 -2.88 0.00 0.00 179.24 176.44 1t3o s ILE 18 N -2.73 1.70 -0.13 2.25 -1.09 -1.21 -5.07 121.20 114.92 1t3o s ILE 18 Ca -0.07 -0.90 -0.02 0.00 -2.23 0.00 0.00 60.65 57.43 1t3o s ILE 18 Cb 0.06 -1.68 0.04 0.00 -1.58 0.00 0.00 42.46 39.30 1t3o s ILE 18 CO 0.92 0.30 0.02 -1.83 -1.23 0.00 0.00 174.94 173.12 1t3o s GLU 19 N 1.40 0.58 0.00 2.79 -1.05 -1.24 -1.38 118.70 119.79 1t3o s GLU 19 Ca 0.01 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.70 1t3o s GLU 19 Cb -0.15 -1.52 0.00 0.00 -0.44 0.00 0.00 34.13 32.02 1t3o s GLU 19 CO -0.09 -0.48 0.00 1.55 0.95 0.00 0.00 175.26 177.19 1t3o n VAL 20 N 5.12 0.00 -3.69 1.83 3.14 -0.13 -5.00 118.33 119.60 1t3o n VAL 20 Ca -0.08 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.01 1t3o n VAL 20 Cb 0.49 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.12 1t3o n VAL 20 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1t3o s LYS 21 N -1.45 0.68 -0.39 1.45 -2.85 -1.26 -2.97 119.74 112.95 1t3o s LYS 21 Ca 0.00 -1.09 -0.09 0.00 -1.00 0.00 0.00 55.97 53.78 1t3o s LYS 21 Cb 0.00 -1.87 0.05 0.00 -2.06 0.00 0.00 37.83 33.96 1t3o s LYS 21 CO 0.00 -1.02 0.22 0.14 0.10 0.00 0.00 175.35 174.79 1t3o s VAL 22 N 1.55 4.27 0.02 1.79 -7.23 -1.12 -4.90 120.40 114.78 1t3o s VAL 22 Ca 0.11 -1.17 -0.23 0.00 -1.81 0.00 0.00 61.98 58.88 1t3o s VAL 22 Cb -0.18 -3.50 -0.05 0.00 0.56 0.00 0.00 36.38 33.20 1t3o s VAL 22 CO -0.23 -0.36 0.68 -0.63 -0.31 0.00 0.00 175.10 174.25 1t3o s ILE 23 N 1.47 4.83 0.20 -0.62 1.01 -1.26 0.26 121.20 127.08 1t3o s ILE 23 Ca 0.02 1.44 0.08 0.00 0.00 0.00 0.00 60.65 62.19 1t3o s ILE 23 Cb -0.21 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1t3o s ILE 23 CO 0.04 0.38 -0.16 0.00 0.00 0.00 0.00 174.94 175.20 1t3o s ALA 24 N -0.07 2.03 -0.30 9.38 0.00 0.35 -4.97 121.76 128.17 1t3o s ALA 24 Ca 0.35 -1.61 -0.20 0.00 0.00 0.00 0.00 51.96 50.50 1t3o s ALA 24 Cb -0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1t3o s ALA 24 CO 0.20 0.12 0.60 0.14 0.00 0.00 0.00 175.76 176.82 1t3o s VAL 25 N -2.68 4.97 -0.25 0.00 -7.23 -1.26 -2.94 120.40 111.01 1t3o s VAL 25 Ca 0.21 0.79 0.02 0.00 -1.81 0.00 0.00 61.98 61.19 1t3o s VAL 25 Cb -0.02 -3.97 0.36 0.00 0.56 0.00 0.00 36.38 33.31 1t3o s VAL 25 CO 0.07 -0.11 1.48 1.21 -0.31 0.00 0.00 175.10 177.44 1t3o n GLU 26 N 5.81 1.71 0.00 4.82 4.07 -0.31 -4.92 120.64 131.82 1t3o n GLU 26 Ca -0.02 -1.60 0.00 0.00 -0.06 0.00 0.00 57.16 55.48 1t3o n GLU 26 Cb 0.49 -1.64 0.00 0.00 -0.06 0.00 0.00 31.44 30.23 1t3o n GLU 26 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1t3o n GLY 27 N -0.35 2.10 1.18 8.31 0.00 -1.26 -3.59 105.19 111.57 1t3o n GLY 27 Ca 0.31 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 1t3o n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t3o n ASP 28 N 4.12 2.24 -3.69 1.61 8.00 -1.26 -5.02 116.55 122.55 1t3o n ASP 28 Ca 0.00 -3.43 -0.14 0.00 0.71 0.00 0.00 54.79 51.93 1t3o n ASP 28 Cb 0.00 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.58 1t3o n ASP 28 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1t3o s GLN 29 N -2.80 0.82 -0.18 -1.24 0.74 -1.24 -5.15 119.66 110.62 1t3o s GLN 29 Ca 0.39 -0.17 -0.04 0.00 0.05 0.00 0.00 55.36 55.59 1t3o s GLN 29 Cb 0.38 0.37 -0.02 0.00 1.10 0.00 0.00 33.01 34.84 1t3o s GLN 29 CO -0.06 -0.25 -0.03 0.08 -0.55 0.00 0.00 175.29 174.47 1t3o s VAL 30 N -1.69 3.78 0.03 1.34 1.01 -1.26 -1.16 120.40 122.45 1t3o s VAL 30 Ca -0.10 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1t3o s VAL 30 Cb -0.03 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1t3o s VAL 30 CO 0.03 0.46 -0.06 -1.59 0.00 0.00 0.00 175.10 173.95 1t3o s LYS 31 N 0.71 0.44 0.35 2.72 -2.85 -1.15 -2.86 119.74 117.10 1t3o s LYS 31 Ca -0.02 -0.61 0.07 0.00 -1.00 0.00 0.00 55.97 54.41 1t3o s LYS 31 Cb -0.14 -0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.42 1t3o s LYS 31 CO 0.02 0.03 0.43 -0.48 0.10 0.00 0.00 175.35 175.45 1t3o s LEU 32 N -1.29 3.81 0.04 2.77 0.05 -0.02 -0.50 118.68 123.54 1t3o s LEU 32 Ca -0.09 -0.33 0.02 0.00 0.05 0.00 0.00 54.13 53.78 1t3o s LEU 32 Cb -0.09 -2.56 -0.02 0.00 -2.05 0.00 0.00 46.19 41.48 1t3o s LEU 32 CO -0.00 -0.46 -0.08 -0.83 -0.55 0.00 0.00 176.35 174.43 1t3o s GLY 33 N -4.14 0.53 -0.13 -3.48 0.00 0.14 0.14 107.32 100.38 1t3o s GLY 33 Ca 0.45 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.42 1t3o s GLY 33 CO 0.30 -0.79 -0.14 -0.26 0.00 0.00 0.00 173.10 172.20 1t3o s ILE 34 N -1.27 2.92 -0.06 0.90 -4.36 0.41 -2.79 121.20 116.94 1t3o s ILE 34 Ca -0.08 -0.71 0.06 0.00 -0.26 0.00 0.00 60.65 59.66 1t3o s ILE 34 Cb -0.09 -2.22 -0.01 0.00 1.25 0.00 0.00 42.46 41.39 1t3o s ILE 34 CO 0.01 0.53 -0.23 -0.62 0.24 0.00 0.00 174.94 174.86 1t3o s ASP 35 N 0.40 2.87 0.07 4.36 2.15 -1.26 -0.03 116.67 125.23 1t3o s ASP 35 Ca -0.11 -0.48 0.03 0.00 0.43 0.00 0.00 52.55 52.42 1t3o s ASP 35 Cb -0.16 -0.80 -0.03 0.00 -0.30 0.00 0.00 42.92 41.63 1t3o s ASP 35 CO 0.05 0.22 -0.09 0.00 -0.17 0.00 0.00 175.17 175.19 1t3o s ALA 36 N -0.11 0.81 -0.31 3.66 0.00 -0.95 -4.98 121.76 119.87 1t3o s ALA 36 Ca -0.04 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1t3o s ALA 36 Cb -0.13 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1t3o s ALA 36 CO 0.03 -0.05 0.74 -2.30 0.00 0.00 0.00 175.76 174.19 1t3o n PRO 37 N 0.96 0.88 -2.02 0.00 -0.02 -1.26 -2.57 135.00 130.97 1t3o n PRO 37 Ca -0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.27 1t3o n PRO 37 Cb 0.56 -1.18 -0.01 0.00 -0.02 0.00 0.00 33.50 32.85 1t3o n PRO 37 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1t3o n LYS 38 N 0.40 -3.39 -2.20 -0.52 3.00 -1.26 -4.70 118.16 109.50 1t3o n LYS 38 Ca 0.00 2.65 -0.01 0.00 -0.00 0.00 0.00 58.31 60.95 1t3o n LYS 38 Cb 0.37 -3.50 0.01 0.00 0.00 0.00 0.00 35.03 31.91 1t3o n LYS 38 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1t3o n HIS 39 N 1.21 -0.84 -3.34 5.64 1.44 -1.26 -5.05 115.22 113.02 1t3o n HIS 39 Ca -0.10 -0.41 -0.38 0.00 -2.01 0.00 0.00 57.72 54.82 1t3o n HIS 39 Cb 0.16 0.20 -0.06 0.00 0.12 0.00 0.00 29.99 30.41 1t3o n HIS 39 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1t3o s ILE 40 N -2.42 4.82 -0.31 0.61 -0.00 -1.26 -5.05 121.20 117.59 1t3o s ILE 40 Ca 0.07 1.10 -0.17 0.00 -0.00 0.00 0.00 60.65 61.65 1t3o s ILE 40 Cb -0.01 -3.84 -0.02 0.00 -0.00 0.00 0.00 42.46 38.59 1t3o s ILE 40 CO 0.02 0.55 0.46 1.51 -0.00 0.00 0.00 174.94 177.47 1t3o s ASP 41 N -1.14 6.30 0.29 4.36 -4.77 -1.26 -5.04 116.67 115.41 1t3o s ASP 41 Ca 0.28 0.11 -0.28 0.00 -3.30 0.00 0.00 52.55 49.36 1t3o s ASP 41 Cb -0.19 -2.24 -0.10 0.00 -1.09 0.00 0.00 42.92 39.30 1t3o s ASP 41 CO 0.18 -0.35 0.95 -0.63 0.70 0.00 0.00 175.17 176.01 1t3o s ILE 42 N 2.24 4.12 0.19 2.11 -1.09 -1.26 -5.04 121.20 122.47 1t3o s ILE 42 Ca 0.17 1.90 0.01 0.00 -2.23 0.00 0.00 60.65 60.50 1t3o s ILE 42 Cb -0.16 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 1t3o s ILE 42 CO 0.12 0.27 0.04 -1.00 -1.23 0.00 0.00 174.94 173.14 1t3o s HIS 43 N -1.44 1.24 -0.33 3.97 3.76 -1.26 -4.75 115.29 116.47 1t3o s HIS 43 Ca 0.47 -1.10 0.04 0.00 -0.15 0.00 0.00 55.06 54.32 1t3o s HIS 43 Cb -0.22 -0.71 0.10 0.00 1.11 0.00 0.00 32.58 32.86 1t3o s HIS 43 CO 0.27 -0.30 0.04 0.50 -0.85 0.00 0.00 174.74 174.40 1t3o s ARG 44 N -3.97 1.53 0.00 1.40 3.52 -1.26 -4.90 118.95 115.26 1t3o s ARG 44 Ca 0.28 -1.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.09 1t3o s ARG 44 Cb 0.07 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 1t3o s ARG 44 CO 0.06 -0.90 0.00 1.17 -0.81 0.00 0.00 175.30 174.82 1t3o n LYS 45 N 4.29 0.00 -2.94 5.12 3.00 -1.26 -4.69 118.16 121.69 1t3o n LYS 45 Ca 0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.13 1t3o n LYS 45 Cb 0.42 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.50 1t3o n LYS 45 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1t3o s GLU 46 N 0.00 2.38 -0.25 1.64 0.41 -1.26 -5.06 118.70 116.55 1t3o s GLU 46 Ca 0.00 -1.39 -0.19 0.00 -0.41 0.00 0.00 54.97 52.98 1t3o s GLU 46 Cb 0.00 -2.62 -0.02 0.00 -1.78 0.00 0.00 34.13 29.70 1t3o s GLU 46 CO 0.00 -0.77 0.58 0.96 -0.49 0.00 0.00 175.26 175.54 1t3o s ILE 47 N -2.65 5.03 -1.45 -1.63 -4.36 -1.26 -4.75 121.20 110.12 1t3o s ILE 47 Ca 0.60 1.02 0.25 0.00 -0.26 0.00 0.00 60.65 62.27 1t3o s ILE 47 Cb -0.07 -3.89 0.12 0.00 1.25 0.00 0.00 42.46 39.87 1t3o s ILE 47 CO 0.38 0.06 1.42 0.00 0.24 0.00 0.00 174.94 177.05 1t3o n TYR 48 N 5.57 0.00 0.00 1.37 0.18 -1.26 -4.65 117.16 118.37 1t3o n TYR 48 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 1t3o n TYR 48 Cb 0.49 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 39.30 1t3o n TYR 48 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1t3o n LEU 49 N -0.97 0.00 0.00 -3.48 4.77 -1.26 -4.86 117.00 111.20 1t3o n LEU 49 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1t3o n LEU 49 Cb 0.35 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1t3o n LEU 49 CO 0.31 -0.25 0.00 0.41 -1.33 0.00 0.00 177.39 176.53 1t3o n THR 50 N -1.90 0.00 0.38 -5.08 -1.04 -1.26 -4.74 114.28 100.64 1t3o n THR 50 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 1t3o n THR 50 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1t3o n THR 50 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1t3o h ILE 51 N 0.00 0.00 -0.01 12.58 2.04 -1.98 0.46 117.51 130.61 1t3o h ILE 51 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1t3o h ILE 51 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1t3o h ILE 51 CO 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.05 1t3o n GLN 52 N -5.11 1.10 -0.00 2.37 10.64 -1.26 -2.15 117.38 122.97 1t3o n GLN 52 Ca -0.12 -0.53 -0.17 0.00 -1.83 0.00 0.00 57.00 54.35 1t3o n GLN 52 Cb 0.39 -1.49 -0.11 0.00 -0.86 0.00 0.00 30.24 28.17 1t3o n GLN 52 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1t3o h GLU 53 N 1.29 0.34 -0.44 2.61 4.22 -1.84 0.17 114.58 120.94 1t3o h GLU 53 Ca 0.00 -0.38 -0.10 0.00 0.08 0.00 0.00 59.36 58.96 1t3o h GLU 53 Cb 0.41 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1t3o h GLU 53 CO 0.00 1.07 -0.15 0.93 -2.18 0.00 0.00 179.01 178.68 1t3o h GLU 54 N -0.23 0.81 0.00 1.92 5.08 -0.11 -3.41 114.58 118.65 1t3o h GLU 54 Ca -0.07 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1t3o h GLU 54 Cb 1.26 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1t3o h GLU 54 CO 0.10 0.91 0.00 -1.71 -1.00 0.00 0.00 179.01 177.32 1t3o n ASN 55 N -4.14 0.00 0.00 1.42 2.85 -0.91 -4.37 115.26 110.10 1t3o n ASN 55 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1t3o n ASN 55 Cb 0.39 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.41 1t3o n ASN 55 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1t3o n ASN 56 N 0.00 0.00 0.11 1.20 2.85 0.61 -3.78 115.26 116.25 1t3o n ASN 56 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1t3o n ASN 56 Cb 0.00 -1.12 0.00 0.00 1.24 0.00 0.00 39.78 39.90 1t3o n ASN 56 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1t3o n ARG 57 N -2.00 0.00 -2.69 1.20 1.85 -1.26 -4.98 116.66 108.78 1t3o n ARG 57 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 1t3o n ARG 57 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.43 1t3o n ARG 57 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3o s ALA 58 N -1.72 -4.66 -0.24 2.89 0.00 -1.25 -5.01 121.76 111.77 1t3o s ALA 58 Ca 0.00 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 1t3o s ALA 58 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 1t3o s ALA 58 CO 0.00 -2.54 0.79 0.00 0.00 0.00 0.00 175.76 174.01 1t3o s ALA 59 N 1.46 3.63 0.00 0.00 0.00 -1.26 -4.52 121.76 121.07 1t3o s ALA 59 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1t3o s ALA 59 Cb 0.09 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1t3o s ALA 59 CO -0.13 -0.86 0.00 0.00 0.00 0.00 0.00 175.76 174.76 1t3o n ALA 60 N 5.84 0.00 -2.60 0.00 0.00 -1.24 -4.53 120.51 117.98 1t3o n ALA 60 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 1t3o n ALA 60 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 1t3o n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t3o s LEU 61 N 0.00 4.17 -1.70 0.00 1.43 -1.26 -4.25 118.68 117.07 1t3o s LEU 61 Ca 0.00 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 1t3o s LEU 61 Cb 0.00 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.81 1t3o s LEU 61 CO 0.00 -0.07 0.00 -0.24 0.23 0.00 0.00 176.35 176.27 1t3o n SER 62 N -0.45 -5.34 -2.09 2.29 2.88 -1.26 -0.98 113.62 108.68 1t3o n SER 62 Ca -0.02 0.13 -0.20 0.00 -1.33 0.00 0.00 58.87 57.44 1t3o n SER 62 Cb 0.53 -4.42 -0.04 0.00 -0.75 0.00 0.00 64.21 59.53 1t3o n SER 62 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1t3o n SER 63 N -1.38 -5.63 -4.50 -3.46 7.64 -1.26 -4.92 113.62 100.10 1t3o n SER 63 Ca -0.21 0.19 -0.42 0.00 1.01 0.00 0.00 58.87 59.44 1t3o n SER 63 Cb 0.65 -4.80 -0.04 0.00 -1.01 0.00 0.00 64.21 59.02 1t3o n SER 63 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1t3o s ASP 64 N -2.31 6.24 0.00 6.43 -1.08 -0.15 -4.55 116.67 121.25 1t3o s ASP 64 Ca 0.00 -0.61 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 1t3o s ASP 64 Cb 0.00 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1t3o s ASP 64 CO 0.00 -1.48 0.00 0.52 0.52 0.00 0.00 175.17 174.73 1t3o n VAL 65 N 6.16 0.00 0.00 1.11 0.31 -1.26 -3.58 118.33 121.06 1t3o n VAL 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1t3o n VAL 65 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1t3o n VAL 65 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1t3o n ILE 66 N 0.00 0.00 0.00 2.52 5.41 -1.26 -3.79 119.36 122.24 1t3o n ILE 66 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1t3o n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1t3o n ILE 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1t3o n SER 67 N 0.27 0.00 -4.64 4.38 2.88 -1.26 -4.76 113.62 110.48 1t3o n SER 67 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1t3o n SER 67 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1t3o n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3o s ALA 68 N 0.00 3.43 0.00 -1.46 0.00 -1.26 -3.44 121.76 119.03 1t3o s ALA 68 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1t3o s ALA 68 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1t3o s ALA 68 CO 0.00 -1.68 0.00 1.28 0.00 0.00 0.00 175.76 175.36 1t3o n LEU 69 N 7.84 0.00 0.00 0.00 4.77 -1.26 -4.54 117.00 123.81 1t3o n LEU 69 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1t3o n LEU 69 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1t3o n LEU 69 CO 0.63 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.45 1t3o n SER 70 N 0.60 0.00 0.07 -1.43 2.88 -1.22 -4.01 113.62 110.50 1t3o n SER 70 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1t3o n SER 70 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 1t3o n SER 70 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1t3o h SER 71 N 0.00 0.34 -3.10 -3.46 0.02 -1.83 -3.43 113.55 102.08 1t3o h SER 71 Ca 0.00 -0.12 0.23 0.00 -0.84 0.00 0.00 61.79 61.06 1t3o h SER 71 Cb 0.00 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.39 1t3o h SER 71 CO 0.00 0.64 -0.31 0.00 -1.14 0.00 0.00 176.83 176.02 1t3o n GLN 72 N -4.10 -1.71 -2.97 3.45 1.13 -1.26 -4.53 117.38 107.40 1t3o n GLN 72 Ca -0.01 1.13 -0.43 0.00 -1.94 0.00 0.00 57.00 55.74 1t3o n GLN 72 Cb 0.42 -2.08 -0.05 0.00 0.11 0.00 0.00 30.24 28.64 1t3o n GLN 72 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1t3o s LYS 73 N -1.50 3.17 0.00 -1.09 3.01 -1.26 -5.10 119.74 116.97 1t3o s LYS 73 Ca 0.00 -0.73 0.00 0.00 -1.01 0.00 0.00 55.97 54.23 1t3o s LYS 73 Cb 0.00 -4.14 0.00 0.00 -1.01 0.00 0.00 37.83 32.68 1t3o s LYS 73 CO 0.00 -1.51 0.00 1.63 0.51 0.00 0.00 175.35 175.98