#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v3r s LYS 2 N 0.00 1.60 -0.22 2.12 -0.14 -0.03 -2.96 119.74 120.12 1v3r s LYS 2 Ca 0.00 -1.74 -0.02 0.00 -1.36 0.00 0.00 55.97 52.84 1v3r s LYS 2 Cb 0.00 -1.57 0.01 0.00 -1.68 0.00 0.00 37.83 34.59 1v3r s LYS 2 CO 0.00 0.26 -0.09 -1.17 -0.76 0.00 0.00 175.35 173.59 1v3r s LEU 3 N -3.47 2.75 -0.19 3.17 2.96 0.25 -1.51 118.68 122.65 1v3r s LEU 3 Ca 0.28 -0.56 -0.12 0.00 -0.22 0.00 0.00 54.13 53.51 1v3r s LEU 3 Cb -0.03 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1v3r s LEU 3 CO 0.13 -0.04 0.22 -0.63 -1.32 0.00 0.00 176.35 174.72 1v3r s ILE 4 N 1.40 5.34 -0.20 6.68 1.01 0.03 -0.60 121.20 134.86 1v3r s ILE 4 Ca 0.04 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.08 1v3r s ILE 4 Cb -0.14 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.80 1v3r s ILE 4 CO -0.06 0.39 -0.15 -0.69 0.00 0.00 0.00 174.94 174.42 1v3r s VAL 5 N 0.61 1.98 -0.07 2.92 1.01 0.34 -0.95 120.40 126.25 1v3r s VAL 5 Ca 0.12 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 61.03 1v3r s VAL 5 Cb -0.12 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1v3r s VAL 5 CO 0.02 0.31 -0.22 0.00 0.00 0.00 0.00 175.10 175.21 1v3r s ALA 6 N 1.27 2.30 -0.30 5.51 0.00 -0.12 -0.01 121.76 130.42 1v3r s ALA 6 Ca 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 1v3r s ALA 6 Cb -0.15 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1v3r s ALA 6 CO -0.10 0.41 0.04 0.42 0.00 0.00 0.00 175.76 176.54 1v3r s ILE 7 N -0.17 3.49 0.21 0.00 -1.09 -0.08 -0.52 121.20 123.03 1v3r s ILE 7 Ca -0.03 -1.04 0.08 0.00 -2.23 0.00 0.00 60.65 57.43 1v3r s ILE 7 Cb -0.14 -2.89 -0.05 0.00 -1.58 0.00 0.00 42.46 37.80 1v3r s ILE 7 CO 0.04 -0.02 -0.14 0.68 -1.23 0.00 0.00 174.94 174.27 1v3r s VAL 8 N 1.38 1.72 0.36 2.92 -7.23 -0.09 -2.73 120.40 116.74 1v3r s VAL 8 Ca -0.01 -2.21 -0.27 0.00 -1.81 0.00 0.00 61.98 57.68 1v3r s VAL 8 Cb -0.18 -2.05 -0.09 0.00 0.56 0.00 0.00 36.38 34.61 1v3r s VAL 8 CO 0.00 -0.59 1.27 -0.13 -0.31 0.00 0.00 175.10 175.34 1v3r s ARG 9 N -3.65 4.22 0.31 4.82 0.52 -1.26 -0.76 118.95 123.15 1v3r s ARG 9 Ca 0.23 2.12 0.02 0.00 -0.52 0.00 0.00 55.73 57.57 1v3r s ARG 9 Cb -0.01 -2.93 0.56 0.00 0.52 0.00 0.00 34.95 33.10 1v3r s ARG 9 CO 0.07 -0.27 1.92 -1.35 0.02 0.00 0.00 175.30 175.68 1v3r h PRO 10 N 3.09 0.95 0.00 3.54 0.11 -1.90 -0.89 132.00 136.91 1v3r h PRO 10 Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1v3r h PRO 10 Cb 1.23 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1v3r h PRO 10 CO 0.64 0.63 0.00 -0.85 -0.21 0.00 0.00 178.00 178.21 1v3r n GLU 11 N -4.49 0.11 0.00 1.05 0.00 -1.26 -1.79 120.64 114.27 1v3r n GLU 11 Ca 0.13 0.21 0.06 0.00 0.00 0.00 0.00 57.16 57.56 1v3r n GLU 11 Cb 0.21 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.18 1v3r n GLU 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1v3r n LYS 12 N -1.37 1.16 -0.25 3.44 4.76 -0.35 -4.72 118.16 120.83 1v3r n LYS 12 Ca 0.05 -1.05 -0.02 0.00 -2.87 0.00 0.00 58.31 54.42 1v3r n LYS 12 Cb 0.12 -1.20 0.09 0.00 -1.84 0.00 0.00 35.03 32.20 1v3r n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1v3r h LEU 13 N 2.06 0.66 -0.77 -0.35 5.85 -1.18 -1.18 115.31 120.39 1v3r h LEU 13 Ca 0.00 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1v3r h LEU 13 Cb 0.48 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1v3r h LEU 13 CO 0.00 0.44 0.15 0.78 -0.34 0.00 0.00 178.44 179.47 1v3r h ASN 14 N 0.79 1.02 -0.72 1.25 -0.26 -1.84 0.30 115.58 116.12 1v3r h ASN 14 Ca 0.30 -0.22 -0.06 0.00 -0.56 0.00 0.00 56.30 55.76 1v3r h ASN 14 Cb 0.11 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.07 1v3r h ASN 14 CO -0.15 0.99 0.22 -0.33 -1.06 0.00 0.00 177.43 177.10 1v3r h GLU 15 N 1.02 1.13 -0.32 0.81 5.08 -1.77 -1.06 114.58 119.47 1v3r h GLU 15 Ca 0.21 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1v3r h GLU 15 Cb 0.38 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1v3r h GLU 15 CO 0.00 0.97 -0.11 0.28 -1.00 0.00 0.00 179.01 179.16 1v3r h VAL 16 N 1.09 1.28 -0.47 3.13 2.07 -0.72 -1.10 116.25 121.54 1v3r h VAL 16 Ca 0.23 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 1v3r h VAL 16 Cb 0.31 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1v3r h VAL 16 CO -0.01 0.38 0.02 -0.07 0.02 0.00 0.00 177.57 177.92 1v3r h LEU 17 N 0.41 0.71 -0.27 2.57 3.38 -0.79 -0.41 115.31 120.91 1v3r h LEU 17 Ca 0.08 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1v3r h LEU 17 Cb 0.61 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1v3r h LEU 17 CO 0.04 0.77 -0.01 0.50 0.09 0.00 0.00 178.44 179.82 1v3r h LYS 18 N 0.71 0.49 -0.77 1.13 3.64 -1.11 -1.46 116.57 119.20 1v3r h LYS 18 Ca 0.14 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1v3r h LYS 18 Cb 0.40 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1v3r h LYS 18 CO 0.01 0.66 0.33 0.00 -2.27 0.00 0.00 179.45 178.18 1v3r h ALA 19 N 0.81 1.13 -0.31 5.00 0.00 -0.81 -0.67 119.26 124.41 1v3r h ALA 19 Ca 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1v3r h ALA 19 Cb 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1v3r h ALA 19 CO 0.02 0.63 0.06 -0.07 0.00 0.00 0.00 179.25 179.89 1v3r h LEU 20 N 1.10 0.49 -0.74 0.00 3.38 -0.97 -1.04 115.31 117.53 1v3r h LEU 20 Ca 0.26 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1v3r h LEU 20 Cb 0.17 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1v3r h LEU 20 CO -0.03 0.62 0.49 0.15 0.09 0.00 0.00 178.44 179.76 1v3r h PHE 21 N 0.34 0.93 0.00 1.13 3.57 -0.99 0.75 116.94 122.67 1v3r h PHE 21 Ca 0.10 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1v3r h PHE 21 Cb 0.33 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1v3r h PHE 21 CO 0.02 0.58 -0.03 1.96 -2.23 0.00 0.00 178.31 178.61 1v3r h GLN 22 N 0.99 0.00 -0.23 1.11 4.20 -0.96 -1.94 115.11 118.30 1v3r h GLN 22 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1v3r h GLN 22 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1v3r h GLN 22 CO -0.06 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.13 1v3r n ALA 23 N -2.11 2.49 -1.32 3.87 0.00 -0.41 -4.92 120.51 118.12 1v3r n ALA 23 Ca 0.01 -0.60 -0.05 0.00 0.00 0.00 0.00 53.44 52.79 1v3r n ALA 23 Cb 0.33 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 1v3r n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1v3r n GLU 24 N 0.50 -0.39 -3.37 0.00 -0.58 -0.73 -4.98 120.64 111.09 1v3r n GLU 24 Ca 0.16 0.62 -0.39 0.00 -0.42 0.00 0.00 57.16 57.13 1v3r n GLU 24 Cb 0.36 -4.36 -0.08 0.00 -0.57 0.00 0.00 31.44 26.78 1v3r n GLU 24 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1v3r s VAL 25 N -2.22 5.17 -0.07 2.62 1.01 0.14 -4.94 120.40 122.12 1v3r s VAL 25 Ca 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 1v3r s VAL 25 Cb 0.00 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1v3r s VAL 25 CO 0.00 0.19 -0.08 0.54 0.00 0.00 0.00 175.10 175.75 1v3r n ARG 26 N 4.99 0.17 -2.74 2.72 5.12 -1.26 -3.90 116.66 121.75 1v3r n ARG 26 Ca -0.08 0.05 -0.43 0.00 -1.93 0.00 0.00 57.85 55.47 1v3r n ARG 26 Cb 0.51 -0.98 -0.03 0.00 -1.16 0.00 0.00 32.46 30.80 1v3r n ARG 26 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1v3r s GLY 27 N -4.88 1.70 0.15 -0.13 0.00 -1.26 -5.00 107.32 97.90 1v3r s GLY 27 Ca -0.10 0.01 -0.25 0.00 0.00 0.00 0.00 44.72 44.39 1v3r s GLY 27 CO 0.15 2.06 0.93 0.48 0.00 0.00 0.00 173.10 176.72 1v3r s LEU 28 N 3.14 -0.20 0.07 0.66 0.05 -1.26 -4.42 118.68 116.72 1v3r s LEU 28 Ca 0.41 -0.39 0.01 0.00 0.05 0.00 0.00 54.13 54.21 1v3r s LEU 28 Cb -0.15 2.19 -0.04 0.00 -2.05 0.00 0.00 46.19 46.15 1v3r s LEU 28 CO 0.08 -0.91 -0.05 0.42 -0.55 0.00 0.00 176.35 175.33 1v3r s THR 29 N -3.32 0.50 0.10 5.48 -4.23 -0.81 -5.00 115.64 108.36 1v3r s THR 29 Ca 0.12 -1.78 -0.12 0.00 -1.18 0.00 0.00 61.69 58.73 1v3r s THR 29 Cb -0.02 -1.48 0.01 0.00 1.34 0.00 0.00 72.50 72.36 1v3r s THR 29 CO 0.02 -0.86 0.28 -1.48 -0.54 0.00 0.00 174.62 172.04 1v3r s LEU 30 N -2.81 0.98 0.20 4.79 0.05 -1.26 -1.25 118.68 119.38 1v3r s LEU 30 Ca 0.07 -0.51 -0.20 0.00 0.05 0.00 0.00 54.13 53.55 1v3r s LEU 30 Cb 0.04 1.38 0.04 0.00 -2.05 0.00 0.00 46.19 45.60 1v3r s LEU 30 CO -0.06 -0.78 0.58 -0.94 -0.55 0.00 0.00 176.35 174.60 1v3r s SER 31 N -2.83 -0.36 0.08 1.48 1.04 -0.71 -5.00 113.70 107.40 1v3r s SER 31 Ca 0.04 -0.35 -0.17 0.00 0.48 0.00 0.00 55.95 55.95 1v3r s SER 31 Cb 0.04 0.61 -0.07 0.00 0.10 0.00 0.00 66.02 66.70 1v3r s SER 31 CO -0.11 -1.07 0.54 -0.13 0.98 0.00 0.00 173.24 173.44 1v3r s ARG 32 N -3.84 4.10 0.13 4.02 0.52 -1.26 -1.11 118.95 121.51 1v3r s ARG 32 Ca 0.07 0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 55.89 1v3r s ARG 32 Cb -0.02 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1v3r s ARG 32 CO -0.05 0.61 0.06 0.14 0.02 0.00 0.00 175.30 176.08 1v3r s VAL 33 N -1.19 0.11 -0.11 3.52 -7.23 -0.58 -4.91 120.40 110.00 1v3r s VAL 33 Ca 0.30 -1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 1v3r s VAL 33 Cb -0.18 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1v3r s VAL 33 CO 0.18 -0.46 -0.01 -1.10 -0.31 0.00 0.00 175.10 173.40 1v3r s GLN 34 N -4.05 3.24 0.29 4.82 -1.52 -1.26 -0.63 119.66 120.55 1v3r s GLN 34 Ca 0.24 -0.44 0.10 0.00 -1.95 0.00 0.00 55.36 53.31 1v3r s GLN 34 Cb 0.07 -2.85 -0.05 0.00 -0.22 0.00 0.00 33.01 29.96 1v3r s GLN 34 CO 0.02 0.54 -0.15 0.20 -0.25 0.00 0.00 175.29 175.65 1v3r s GLY 35 N -0.44 1.92 0.15 3.09 0.00 0.22 -4.88 107.32 107.38 1v3r s GLY 35 Ca 0.08 -1.92 0.01 0.00 0.00 0.00 0.00 44.72 42.89 1v3r s GLY 35 CO 0.02 -1.95 0.00 -1.58 0.00 0.00 0.00 173.10 169.59 1v3r s HIS 36 N -2.64 1.05 0.00 1.90 2.46 -1.26 0.34 115.29 117.13 1v3r s HIS 36 Ca 0.30 -1.06 0.00 0.00 0.47 0.00 0.00 55.06 54.77 1v3r s HIS 36 Cb -0.01 -0.60 0.00 0.00 -0.13 0.00 0.00 32.58 31.83 1v3r s HIS 36 CO 0.14 -0.29 0.00 0.41 -2.47 0.00 0.00 174.74 172.54 1v3r n GLY 37 N -0.16 0.00 3.20 1.59 0.00 -1.26 -5.04 105.19 103.52 1v3r n GLY 37 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 1v3r n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1v3r n GLU 54 N 0.00 -2.00 -4.18 1.61 0.28 -1.26 -4.99 120.64 110.10 1v3r n GLU 54 Ca 0.00 1.66 -0.32 0.00 -0.16 0.00 0.00 57.16 58.34 1v3r n GLU 54 Cb 0.00 -4.09 -0.08 0.00 1.43 0.00 0.00 31.44 28.70 1v3r n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1v3r s LEU 55 N -3.00 3.65 0.05 -1.84 1.43 -1.26 -5.00 118.68 112.70 1v3r s LEU 55 Ca 0.24 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 1v3r s LEU 55 Cb -0.04 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1v3r s LEU 55 CO 0.82 0.25 -0.24 -1.00 0.23 0.00 0.00 176.35 176.41 1v3r s HIS 56 N -1.19 2.10 0.30 0.29 3.76 0.15 -4.86 115.29 115.85 1v3r s HIS 56 Ca 0.23 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.45 1v3r s HIS 56 Cb -0.12 -1.26 -0.11 0.00 1.11 0.00 0.00 32.58 32.21 1v3r s HIS 56 CO 0.14 0.11 1.48 -1.21 -0.85 0.00 0.00 174.74 174.41 1v3r s GLU 57 N -1.22 4.21 0.13 1.40 0.41 -1.26 0.71 118.70 123.08 1v3r s GLU 57 Ca 0.10 2.42 -0.02 0.00 -0.41 0.00 0.00 54.97 57.06 1v3r s GLU 57 Cb -0.09 -3.05 -0.04 0.00 -1.78 0.00 0.00 34.13 29.17 1v3r s GLU 57 CO 0.02 -0.47 0.08 0.15 -0.49 0.00 0.00 175.26 174.55 1v3r s LYS 58 N -0.90 0.94 -0.09 1.61 -0.14 0.20 -4.44 119.74 116.92 1v3r s LYS 58 Ca 0.58 -1.39 0.04 0.00 -1.36 0.00 0.00 55.97 53.84 1v3r s LYS 58 Cb -0.44 0.26 0.00 0.00 -1.68 0.00 0.00 37.83 35.97 1v3r s LYS 58 CO 0.49 -0.28 -0.23 0.08 -0.76 0.00 0.00 175.35 174.66 1v3r s VAL 59 N -4.03 1.97 -0.26 3.17 1.01 0.06 -1.52 120.40 120.81 1v3r s VAL 59 Ca 0.22 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1v3r s VAL 59 Cb 0.07 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1v3r s VAL 59 CO 0.01 0.54 0.06 -0.60 0.00 0.00 0.00 175.10 175.11 1v3r s ARG 60 N 0.32 3.52 -0.04 2.72 3.52 -0.27 -0.91 118.95 127.81 1v3r s ARG 60 Ca -0.17 -0.57 -0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1v3r s ARG 60 Cb -0.17 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1v3r s ARG 60 CO 0.08 -0.24 0.00 -0.51 -0.81 0.00 0.00 175.30 173.82 1v3r s LEU 61 N 1.58 3.55 -0.11 -0.88 1.02 0.32 -1.74 118.68 122.41 1v3r s LEU 61 Ca 0.06 0.07 -0.00 0.00 0.02 0.00 0.00 54.13 54.27 1v3r s LEU 61 Cb -0.15 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 44.16 1v3r s LEU 61 CO 0.03 0.33 -0.07 -0.70 0.02 0.00 0.00 176.35 175.95 1v3r s GLU 62 N -1.22 1.48 -0.06 1.70 2.12 -0.38 -0.94 118.70 121.39 1v3r s GLU 62 Ca 0.17 -0.24 -0.00 0.00 0.36 0.00 0.00 54.97 55.25 1v3r s GLU 62 Cb -0.11 -1.54 0.03 0.00 0.26 0.00 0.00 34.13 32.76 1v3r s GLU 62 CO 0.06 -0.26 -0.02 0.42 -0.54 0.00 0.00 175.26 174.93 1v3r s ILE 63 N 1.69 0.43 -0.13 -3.70 1.01 -0.12 -1.93 121.20 118.45 1v3r s ILE 63 Ca 0.04 0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.48 1v3r s ILE 63 Cb -0.13 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 1v3r s ILE 63 CO -0.08 0.24 0.77 -0.83 0.00 0.00 0.00 174.94 175.05 1v3r s GLY 64 N 1.56 2.31 -0.01 6.18 0.00 -1.26 -0.79 107.32 115.31 1v3r s GLY 64 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.77 1v3r s GLY 64 CO -0.03 1.47 -0.02 0.14 0.00 0.00 0.00 173.10 174.65 1v3r s VAL 65 N 1.62 0.18 0.31 1.40 1.01 -0.57 -4.98 120.40 119.38 1v3r s VAL 65 Ca 0.37 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.02 1v3r s VAL 65 Cb -0.17 -0.18 -0.09 0.00 0.00 0.00 0.00 36.38 35.93 1v3r s VAL 65 CO 0.15 0.07 1.02 -0.55 0.00 0.00 0.00 175.10 175.79 1v3r s SER 66 N 0.16 7.22 0.21 3.32 0.15 -1.26 -0.85 113.70 122.65 1v3r s SER 66 Ca -0.01 2.04 -0.03 0.00 0.70 0.00 0.00 55.95 58.65 1v3r s SER 66 Cb -0.04 -2.60 0.43 0.00 -1.71 0.00 0.00 66.02 62.10 1v3r s SER 66 CO -0.00 -0.16 1.14 1.21 1.20 0.00 0.00 173.24 176.62 1v3r n GLU 67 N 0.75 -0.06 0.23 5.44 4.07 -1.26 -0.23 120.64 129.58 1v3r n GLU 67 Ca 0.01 1.12 0.16 0.00 -0.06 0.00 0.00 57.16 58.40 1v3r n GLU 67 Cb 0.48 -1.72 0.84 0.00 -0.06 0.00 0.00 31.44 30.99 1v3r n GLU 67 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1v3r h PRO 68 N 0.00 0.00 -0.32 5.31 0.11 -2.04 -2.92 132.00 132.13 1v3r h PRO 68 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1v3r h PRO 68 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1v3r h PRO 68 CO -0.73 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.25 1v3r n PHE 69 N -3.84 0.43 -0.03 0.65 3.01 0.68 -4.56 117.46 113.80 1v3r n PHE 69 Ca 0.00 -0.47 -0.12 0.00 1.01 0.00 0.00 57.45 57.88 1v3r n PHE 69 Cb 0.26 -0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 39.64 1v3r n PHE 69 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1v3r h VAL 70 N 2.00 1.24 -0.19 -4.37 2.07 -1.48 -2.58 116.25 112.92 1v3r h VAL 70 Ca 0.00 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1v3r h VAL 70 Cb 0.71 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 1v3r h VAL 70 CO 0.00 0.21 -0.12 0.50 0.02 0.00 0.00 177.57 178.18 1v3r h LYS 71 N -0.09 -0.11 -0.67 1.57 3.11 -1.80 -0.15 116.57 118.42 1v3r h LYS 71 Ca 0.03 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.86 1v3r h LYS 71 Cb 0.32 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.55 1v3r h LYS 71 CO 0.00 -0.07 0.35 -1.35 -2.81 0.00 0.00 179.45 175.57 1v3r h PRO 72 N -0.11 0.93 -0.21 1.90 0.11 -1.85 0.02 132.00 132.79 1v3r h PRO 72 Ca 0.11 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 1v3r h PRO 72 Cb 0.28 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 1v3r h PRO 72 CO -0.26 0.70 -0.17 1.15 -0.21 0.00 0.00 178.00 179.20 1v3r h THR 73 N 0.94 1.32 -0.59 -1.15 2.02 -1.01 -1.97 112.91 112.46 1v3r h THR 73 Ca 0.24 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1v3r h THR 73 Cb 0.05 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1v3r h THR 73 CO -0.04 0.40 0.32 0.58 0.37 0.00 0.00 175.52 177.16 1v3r h VAL 74 N 0.17 1.19 -0.79 3.16 2.07 -0.82 -2.26 116.25 118.96 1v3r h VAL 74 Ca 0.04 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1v3r h VAL 74 Cb 0.70 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1v3r h VAL 74 CO 0.04 0.21 0.51 -0.33 0.02 0.00 0.00 177.57 178.03 1v3r h GLU 75 N 0.80 1.00 -0.61 1.57 5.08 -0.90 0.27 114.58 121.79 1v3r h GLU 75 Ca 0.21 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1v3r h GLU 75 Cb 0.05 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1v3r h GLU 75 CO -0.03 0.66 0.27 0.00 -1.00 0.00 0.00 179.01 178.91 1v3r h ALA 76 N 1.30 0.78 -0.26 3.43 0.00 -1.12 -1.28 119.26 122.12 1v3r h ALA 76 Ca 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1v3r h ALA 76 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1v3r h ALA 76 CO -0.08 0.37 0.02 0.82 0.00 0.00 0.00 179.25 180.38 1v3r h ILE 77 N 0.83 1.24 -0.75 0.00 2.04 -0.93 -2.22 117.51 117.73 1v3r h ILE 77 Ca 0.21 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 65.28 1v3r h ILE 77 Cb 0.15 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 1v3r h ILE 77 CO -0.02 0.27 0.44 -0.07 0.00 0.00 0.00 178.15 178.77 1v3r h LEU 78 N 0.24 0.68 -0.31 1.44 3.38 -0.68 -0.29 115.31 119.77 1v3r h LEU 78 Ca 0.08 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1v3r h LEU 78 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1v3r h LEU 78 CO 0.01 0.44 -0.12 0.11 0.09 0.00 0.00 178.44 178.97 1v3r h LYS 79 N 0.81 0.64 0.00 1.13 1.57 -1.18 -3.07 116.57 116.46 1v3r h LYS 79 Ca 0.33 -0.26 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 1v3r h LYS 79 Cb 0.17 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1v3r h LYS 79 CO -0.17 0.84 -0.78 0.00 -0.57 0.00 0.00 179.45 178.77 1v3r h ALA 80 N 0.78 0.71 0.00 3.86 0.00 -1.15 -3.31 119.26 120.15 1v3r h ALA 80 Ca 0.07 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1v3r h ALA 80 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1v3r h ALA 80 CO 0.04 0.98 -0.56 0.00 0.00 0.00 0.00 179.25 179.70 1v3r n ALA 81 N -2.39 3.47 -1.77 0.00 0.00 -0.14 -4.54 120.51 115.15 1v3r n ALA 81 Ca -0.01 -0.34 -0.39 0.00 0.00 0.00 0.00 53.44 52.70 1v3r n ALA 81 Cb 0.75 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 1v3r n ALA 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1v3r s ARG 82 N -3.04 4.50 0.00 0.00 3.52 -1.16 -4.77 118.95 118.00 1v3r s ARG 82 Ca 0.10 1.61 0.00 0.00 -0.13 0.00 0.00 55.73 57.30 1v3r s ARG 82 Cb 0.17 -2.93 0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1v3r s ARG 82 CO 0.71 0.14 0.00 0.25 -0.81 0.00 0.00 175.30 175.59 1v3r n THR 83 N 0.72 0.00 -0.04 4.11 -2.24 -1.26 -5.02 114.28 110.54 1v3r n THR 83 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1v3r n THR 83 Cb 0.47 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1v3r n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v3r n GLY 84 N 1.84 0.58 3.93 3.38 0.00 -1.26 -5.06 105.19 108.60 1v3r n GLY 84 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1v3r n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v3r s GLU 85 N -0.81 3.49 0.28 1.61 2.02 -1.26 -5.05 118.70 118.97 1v3r s GLU 85 Ca 0.00 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.26 1v3r s GLU 85 Cb 0.00 -2.91 -0.12 0.00 0.10 0.00 0.00 34.13 31.20 1v3r s GLU 85 CO 0.00 0.47 1.57 0.28 0.02 0.00 0.00 175.26 177.60 1v3r n VAL 86 N -0.48 0.95 0.00 2.63 0.31 -1.26 -3.00 118.33 117.48 1v3r n VAL 86 Ca -0.05 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1v3r n VAL 86 Cb 0.53 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1v3r n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v3r n GLY 87 N 2.26 1.06 0.28 2.92 0.00 -1.26 -4.99 105.19 105.47 1v3r n GLY 87 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.28 1v3r n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1v3r h ASP 88 N 0.00 0.00 -5.00 1.61 3.32 -1.91 -3.45 116.42 110.99 1v3r h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1v3r h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1v3r h ASP 88 CO 0.00 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 1v3r n GLY 89 N -0.42 -1.06 3.20 2.75 0.00 -1.26 -4.20 105.19 104.20 1v3r n GLY 89 Ca -0.01 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 1v3r n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v3r s LYS 90 N -0.25 0.90 -0.10 1.61 1.02 -1.11 -4.99 119.74 116.83 1v3r s LYS 90 Ca 0.00 -1.18 0.01 0.00 0.02 0.00 0.00 55.97 54.82 1v3r s LYS 90 Cb 0.00 0.30 0.02 0.00 -0.52 0.00 0.00 37.83 37.63 1v3r s LYS 90 CO 0.00 -0.28 -0.14 0.42 -0.92 0.00 0.00 175.35 174.44 1v3r s ILE 91 N -3.95 1.37 -0.13 2.17 1.01 -1.26 -0.90 121.20 119.51 1v3r s ILE 91 Ca 0.13 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1v3r s ILE 91 Cb 0.06 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1v3r s ILE 91 CO -0.05 0.42 0.01 -0.36 0.00 0.00 0.00 174.94 174.96 1v3r s PHE 92 N 1.07 3.15 -0.29 3.97 0.40 0.99 -4.96 117.98 122.30 1v3r s PHE 92 Ca -0.06 0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1v3r s PHE 92 Cb -0.15 -1.91 0.05 0.00 0.51 0.00 0.00 43.02 41.52 1v3r s PHE 92 CO -0.02 0.25 -0.01 0.08 0.70 0.00 0.00 175.22 176.22 1v3r s VAL 93 N -0.22 2.96 -0.02 -0.44 1.01 -1.26 -0.50 120.40 121.92 1v3r s VAL 93 Ca 0.06 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 1v3r s VAL 93 Cb -0.12 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1v3r s VAL 93 CO 0.02 -0.05 0.07 -0.76 0.00 0.00 0.00 175.10 174.37 1v3r s LEU 94 N 1.26 3.86 0.59 3.92 1.43 0.23 -4.93 118.68 125.04 1v3r s LEU 94 Ca -0.04 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 1v3r s LEU 94 Cb -0.19 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1v3r s LEU 94 CO -0.02 0.30 1.04 -2.16 0.23 0.00 0.00 176.35 175.75 1v3r s PRO 95 N -1.55 3.39 -0.08 1.29 0.04 -1.26 -0.58 135.00 136.25 1v3r s PRO 95 Ca 0.21 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.38 1v3r s PRO 95 Cb -0.12 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1v3r s PRO 95 CO 0.11 -0.75 -0.11 0.08 0.04 0.00 0.00 177.00 176.37 1v3r s VAL 96 N -2.57 1.13 0.02 -0.36 1.01 -1.15 -4.71 120.40 113.77 1v3r s VAL 96 Ca 0.62 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 1v3r s VAL 96 Cb -0.15 -1.05 -0.21 0.00 0.00 0.00 0.00 36.38 34.97 1v3r s VAL 96 CO 0.39 0.36 1.16 -0.08 0.00 0.00 0.00 175.10 176.93 1v3r h GLU 97 N 7.23 0.46 -3.02 2.72 4.81 -1.96 -3.41 114.58 121.40 1v3r h GLU 97 Ca -0.31 -0.43 -0.12 0.00 -0.13 0.00 0.00 59.36 58.37 1v3r h GLU 97 Cb 1.18 0.11 -0.21 0.00 0.63 0.00 0.00 28.75 30.45 1v3r h GLU 97 CO 0.46 1.07 -0.29 0.15 -0.73 0.00 0.00 179.01 179.67 1v3r s LYS 98 N -3.44 0.59 -0.01 1.92 1.02 -1.26 -5.00 119.74 113.57 1v3r s LYS 98 Ca -0.13 -0.04 0.02 0.00 0.02 0.00 0.00 55.97 55.83 1v3r s LYS 98 Cb 0.04 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1v3r s LYS 98 CO 0.82 -0.15 -0.05 0.54 -0.92 0.00 0.00 175.35 175.59 1v3r s VAL 99 N -0.97 0.43 0.03 3.17 0.11 -1.26 -5.07 120.40 116.84 1v3r s VAL 99 Ca -0.10 -0.20 0.07 0.00 -2.93 0.00 0.00 61.98 58.81 1v3r s VAL 99 Cb -0.05 -0.38 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1v3r s VAL 99 CO 0.03 0.13 -0.20 -0.31 -3.33 0.00 0.00 175.10 171.42 1v3r s TYR 100 N 0.05 1.81 -0.27 1.54 1.51 -1.26 0.17 117.35 120.89 1v3r s TYR 100 Ca -0.00 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.54 1v3r s TYR 100 Cb -0.04 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 1v3r s TYR 100 CO -0.00 0.06 0.40 0.50 -1.11 0.00 0.00 175.55 175.40 1v3r s ARG 101 N -0.97 4.03 0.32 -0.62 6.06 0.17 -4.90 118.95 123.03 1v3r s ARG 101 Ca 0.07 0.10 0.06 0.00 -2.50 0.00 0.00 55.73 53.47 1v3r s ARG 101 Cb -0.08 -3.65 0.54 0.00 0.06 0.00 0.00 34.95 31.81 1v3r s ARG 101 CO 0.01 -0.29 1.77 0.82 -2.50 0.00 0.00 175.30 175.12 1v3r h ILE 102 N 5.38 1.26 -0.84 4.11 2.04 -1.93 0.31 117.51 127.84 1v3r h ILE 102 Ca -0.31 -1.21 0.10 0.00 1.00 0.00 0.00 64.86 64.44 1v3r h ILE 102 Cb 1.16 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 38.58 1v3r h ILE 102 CO 0.66 0.37 0.48 -0.09 0.00 0.00 0.00 178.15 179.57 1v3r h ARG 103 N 0.29 0.78 -0.00 2.37 2.43 -1.97 -3.20 114.38 115.07 1v3r h ARG 103 Ca 0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1v3r h ARG 103 Cb 0.63 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1v3r h ARG 103 CO 0.05 0.51 -0.29 0.25 -1.51 0.00 0.00 179.97 178.98 1v3r n THR 104 N -4.74 0.00 -0.48 0.20 -2.24 -1.19 -5.00 114.28 100.84 1v3r n THR 104 Ca 0.14 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1v3r n THR 104 Cb 0.29 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1v3r n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v3r n GLY 105 N 1.11 2.03 3.76 3.38 0.00 0.11 -5.00 105.19 110.58 1v3r n GLY 105 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1v3r n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1v3r s GLU 106 N -0.00 4.54 -0.36 1.61 2.12 -1.19 -4.67 118.70 120.74 1v3r s GLU 106 Ca 0.00 1.93 -0.27 0.00 0.36 0.00 0.00 54.97 56.98 1v3r s GLU 106 Cb 0.00 -3.13 0.02 0.00 0.26 0.00 0.00 34.13 31.27 1v3r s GLU 106 CO 0.00 0.08 1.00 -2.00 -0.54 0.00 0.00 175.26 173.80 1v3r s GLU 107 N -1.58 3.93 0.00 4.30 2.12 -1.26 -0.66 118.70 125.54 1v3r s GLU 107 Ca 0.46 0.78 0.29 0.00 0.36 0.00 0.00 54.97 56.87 1v3r s GLU 107 Cb -0.34 -3.78 1.74 0.00 0.26 0.00 0.00 34.13 32.01 1v3r s GLU 107 CO 0.44 -0.96 2.08 -0.25 -0.54 0.00 0.00 175.26 176.03