#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v3s s LYS 2 N 0.00 0.73 -0.20 2.12 -0.14 -0.35 -3.13 119.74 118.78 1v3s s LYS 2 Ca 0.00 -1.09 -0.01 0.00 -1.36 0.00 0.00 55.97 53.51 1v3s s LYS 2 Cb 0.00 -0.33 0.01 0.00 -1.68 0.00 0.00 37.83 35.83 1v3s s LYS 2 CO 0.00 0.03 -0.13 -1.17 -0.76 0.00 0.00 175.35 173.33 1v3s s LEU 3 N -2.38 2.49 -0.22 3.17 2.96 -0.03 -1.16 118.68 123.51 1v3s s LEU 3 Ca 0.03 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.31 1v3s s LEU 3 Cb -0.02 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 1v3s s LEU 3 CO -0.02 -0.00 0.14 -0.63 -1.32 0.00 0.00 176.35 174.52 1v3s s ILE 4 N 1.35 5.29 -0.23 6.68 1.01 0.72 -0.51 121.20 135.51 1v3s s ILE 4 Ca 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 1v3s s ILE 4 Cb -0.14 -3.44 0.03 0.00 0.01 0.00 0.00 42.46 38.92 1v3s s ILE 4 CO -0.08 0.39 -0.09 -0.69 0.00 0.00 0.00 174.94 174.46 1v3s s VAL 5 N 0.79 2.67 -0.00 2.92 1.01 0.22 -0.20 120.40 127.81 1v3s s VAL 5 Ca 0.07 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1v3s s VAL 5 Cb -0.13 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1v3s s VAL 5 CO 0.02 0.26 -0.24 0.00 0.00 0.00 0.00 175.10 175.14 1v3s s ALA 6 N 1.30 2.00 -0.21 5.51 0.00 -0.20 0.10 121.76 130.26 1v3s s ALA 6 Ca 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 1v3s s ALA 6 Cb -0.16 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.49 1v3s s ALA 6 CO -0.06 0.48 -0.11 0.42 0.00 0.00 0.00 175.76 176.49 1v3s s ILE 7 N -0.62 2.68 0.31 0.00 -1.09 -0.58 -0.16 121.20 121.73 1v3s s ILE 7 Ca 0.09 -0.83 0.04 0.00 -2.23 0.00 0.00 60.65 57.72 1v3s s ILE 7 Cb -0.09 -2.23 -0.06 0.00 -1.58 0.00 0.00 42.46 38.49 1v3s s ILE 7 CO -0.00 0.41 0.05 0.68 -1.23 0.00 0.00 174.94 174.84 1v3s s VAL 8 N 1.35 1.14 0.34 2.92 -7.23 -0.17 -3.08 120.40 115.67 1v3s s VAL 8 Ca 0.04 -2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 57.93 1v3s s VAL 8 Cb -0.14 -2.71 -0.09 0.00 0.56 0.00 0.00 36.38 33.99 1v3s s VAL 8 CO -0.08 -0.05 1.11 -0.13 -0.31 0.00 0.00 175.10 175.64 1v3s s ARG 9 N -3.89 4.38 0.25 4.82 0.52 -1.26 -1.13 118.95 122.64 1v3s s ARG 9 Ca 0.35 1.75 -0.04 0.00 -0.52 0.00 0.00 55.73 57.28 1v3s s ARG 9 Cb 0.08 -2.90 0.38 0.00 0.52 0.00 0.00 34.95 33.02 1v3s s ARG 9 CO 0.14 -0.01 1.85 -1.35 0.02 0.00 0.00 175.30 175.95 1v3s h PRO 10 N 3.19 0.97 0.00 3.54 0.11 -1.89 -1.59 132.00 136.33 1v3s h PRO 10 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1v3s h PRO 10 Cb 1.22 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1v3s h PRO 10 CO 0.65 0.64 0.00 -0.85 -0.21 0.00 0.00 178.00 178.23 1v3s n GLU 11 N -4.61 0.34 0.00 1.05 0.00 -1.26 -1.94 120.64 114.22 1v3s n GLU 11 Ca 0.14 0.08 0.04 0.00 0.00 0.00 0.00 57.16 57.41 1v3s n GLU 11 Cb 0.21 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.17 1v3s n GLU 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1v3s n LYS 12 N -1.16 0.10 0.01 3.44 4.76 -0.61 -4.72 118.16 119.97 1v3s n LYS 12 Ca 0.09 -0.92 -0.11 0.00 -2.87 0.00 0.00 58.31 54.50 1v3s n LYS 12 Cb 0.09 -1.14 -0.05 0.00 -1.84 0.00 0.00 35.03 32.09 1v3s n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1v3s h LEU 13 N 1.42 -0.06 -0.87 -0.35 5.85 -1.21 -0.75 115.31 119.33 1v3s h LEU 13 Ca 0.00 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1v3s h LEU 13 Cb 0.30 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 1v3s h LEU 13 CO 0.00 -0.02 0.53 0.78 -0.34 0.00 0.00 178.44 179.39 1v3s h ASN 14 N 0.00 0.82 -0.59 1.25 2.35 -1.85 0.10 115.58 117.67 1v3s h ASN 14 Ca 0.04 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1v3s h ASN 14 Cb 0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1v3s h ASN 14 CO -0.08 0.51 0.10 -0.08 -1.65 0.00 0.00 177.43 176.22 1v3s h GLU 15 N 0.94 0.97 -0.19 0.81 4.81 -1.80 -1.90 114.58 118.22 1v3s h GLU 15 Ca 0.39 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1v3s h GLU 15 Cb 0.23 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1v3s h GLU 15 CO -0.20 0.92 0.02 0.28 -0.73 0.00 0.00 179.01 179.30 1v3s h VAL 16 N 0.87 1.24 -0.57 0.32 2.07 -0.29 -2.06 116.25 117.83 1v3s h VAL 16 Ca 0.18 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.94 1v3s h VAL 16 Cb 0.42 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1v3s h VAL 16 CO 0.01 0.24 0.33 -0.07 0.02 0.00 0.00 177.57 178.10 1v3s h LEU 17 N 0.11 0.52 -0.42 2.57 3.38 -0.73 -0.33 115.31 120.41 1v3s h LEU 17 Ca 0.06 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1v3s h LEU 17 Cb 0.35 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1v3s h LEU 17 CO 0.01 0.36 0.26 0.50 0.09 0.00 0.00 178.44 179.65 1v3s h LYS 18 N 0.64 0.51 -0.68 1.13 3.64 -1.27 0.39 116.57 120.93 1v3s h LYS 18 Ca 0.24 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1v3s h LYS 18 Cb 0.07 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1v3s h LYS 18 CO -0.12 0.34 0.39 0.00 -2.27 0.00 0.00 179.45 177.79 1v3s h ALA 19 N 1.17 0.87 -0.22 5.00 0.00 -0.87 -0.94 119.26 124.27 1v3s h ALA 19 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1v3s h ALA 19 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1v3s h ALA 19 CO -0.06 0.36 0.11 -0.07 0.00 0.00 0.00 179.25 179.59 1v3s h LEU 20 N 0.93 0.28 -1.19 0.00 3.38 -0.59 -1.17 115.31 116.95 1v3s h LEU 20 Ca 0.24 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1v3s h LEU 20 Cb 0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1v3s h LEU 20 CO -0.04 0.31 0.55 -0.26 0.09 0.00 0.00 178.44 179.09 1v3s h PHE 21 N 0.23 1.03 0.00 1.13 0.05 -0.62 -0.20 116.94 118.55 1v3s h PHE 21 Ca 0.08 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.83 1v3s h PHE 21 Cb 0.10 -0.35 -0.01 0.00 2.00 0.00 0.00 35.95 37.69 1v3s h PHE 21 CO -0.03 0.63 -0.27 0.37 -0.18 0.00 0.00 178.31 178.83 1v3s h GLN 22 N 1.10 0.00 -0.18 1.51 4.15 -0.83 -1.73 115.11 119.13 1v3s h GLN 22 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1v3s h GLN 22 Cb -0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1v3s h GLN 22 CO -0.08 0.27 0.00 0.00 -1.93 0.00 0.00 178.83 177.09 1v3s n ALA 23 N -2.28 2.51 -1.29 3.38 0.00 -0.29 -4.89 120.51 117.64 1v3s n ALA 23 Ca -0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 1v3s n ALA 23 Cb 0.42 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1v3s n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1v3s n GLU 24 N 0.16 -0.54 -3.45 0.00 1.02 -0.65 -4.97 120.64 112.21 1v3s n GLU 24 Ca 0.13 0.74 -0.43 0.00 -0.02 0.00 0.00 57.16 57.58 1v3s n GLU 24 Cb 0.25 -4.57 -0.07 0.00 -0.02 0.00 0.00 31.44 27.03 1v3s n GLU 24 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1v3s s VAL 25 N -2.29 4.67 -0.05 2.62 1.01 -0.25 -4.90 120.40 121.22 1v3s s VAL 25 Ca 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 61.98 60.35 1v3s s VAL 25 Cb 0.00 -4.03 -0.20 0.00 0.00 0.00 0.00 36.38 32.16 1v3s s VAL 25 CO 0.00 -0.83 0.23 0.54 0.00 0.00 0.00 175.10 175.04 1v3s n ARG 26 N 4.93 0.82 -2.77 2.72 3.00 -1.26 -3.64 116.66 120.46 1v3s n ARG 26 Ca -0.08 -0.09 -0.43 0.00 -0.01 0.00 0.00 57.85 57.24 1v3s n ARG 26 Cb 0.41 -1.33 -0.03 0.00 0.00 0.00 0.00 32.46 31.51 1v3s n ARG 26 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1v3s s GLY 27 N -3.84 1.63 0.08 -0.13 0.00 -1.26 -4.99 107.32 98.81 1v3s s GLY 27 Ca -0.05 -0.19 -0.26 0.00 0.00 0.00 0.00 44.72 44.22 1v3s s GLY 27 CO 0.56 2.04 0.72 0.48 0.00 0.00 0.00 173.10 176.90 1v3s s LEU 28 N 3.32 -0.50 -0.01 0.66 0.05 -1.26 -4.42 118.68 116.51 1v3s s LEU 28 Ca 0.40 0.05 0.04 0.00 0.05 0.00 0.00 54.13 54.67 1v3s s LEU 28 Cb -0.13 2.38 -0.01 0.00 -2.05 0.00 0.00 46.19 46.37 1v3s s LEU 28 CO 0.13 -0.81 -0.12 -0.89 -0.55 0.00 0.00 176.35 174.11 1v3s s THR 29 N -3.32 0.96 0.07 5.48 2.01 -0.32 -4.99 115.64 115.54 1v3s s THR 29 Ca 0.02 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1v3s s THR 29 Cb -0.01 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1v3s s THR 29 CO -0.10 0.27 -0.05 -1.48 -0.69 0.00 0.00 174.62 172.57 1v3s s LEU 30 N -0.24 2.45 0.14 4.42 0.05 -1.26 0.09 118.68 124.34 1v3s s LEU 30 Ca 0.04 -0.91 -0.15 0.00 0.05 0.00 0.00 54.13 53.16 1v3s s LEU 30 Cb -0.05 0.03 0.03 0.00 -2.05 0.00 0.00 46.19 44.15 1v3s s LEU 30 CO -0.00 -0.47 0.40 -0.94 -0.55 0.00 0.00 176.35 174.78 1v3s s SER 31 N -2.70 -0.18 -0.06 1.48 1.04 -0.60 -4.99 113.70 107.69 1v3s s SER 31 Ca 0.05 -0.45 -0.19 0.00 0.48 0.00 0.00 55.95 55.84 1v3s s SER 31 Cb 0.03 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 1v3s s SER 31 CO -0.06 -0.89 0.54 -0.13 0.98 0.00 0.00 173.24 173.68 1v3s s ARG 32 N -3.84 4.31 0.33 4.02 3.00 -1.26 -1.11 118.95 124.40 1v3s s ARG 32 Ca 0.06 0.60 0.05 0.00 0.00 0.00 0.00 55.73 56.44 1v3s s ARG 32 Cb 0.02 -3.39 -0.03 0.00 0.00 0.00 0.00 34.95 31.55 1v3s s ARG 32 CO -0.08 0.26 0.20 0.14 0.00 0.00 0.00 175.30 175.82 1v3s s VAL 33 N 0.23 0.22 0.06 3.52 -7.23 -0.48 -4.94 120.40 111.77 1v3s s VAL 33 Ca 0.29 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 1v3s s VAL 33 Cb -0.17 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1v3s s VAL 33 CO 0.14 0.00 -0.19 -1.10 -0.31 0.00 0.00 175.10 173.64 1v3s s GLN 34 N -3.65 1.19 0.21 4.82 -0.21 -1.26 -0.73 119.66 120.03 1v3s s GLN 34 Ca 0.35 -0.95 -0.15 0.00 0.02 0.00 0.00 55.36 54.64 1v3s s GLN 34 Cb 0.03 -1.31 0.01 0.00 1.00 0.00 0.00 33.01 32.75 1v3s s GLN 34 CO 0.21 0.32 0.49 0.20 -2.12 0.00 0.00 175.29 174.39 1v3s s GLY 35 N -1.36 0.19 -0.02 3.09 0.00 0.22 -4.88 107.32 104.56 1v3s s GLY 35 Ca 0.05 -0.53 0.05 0.00 0.00 0.00 0.00 44.72 44.29 1v3s s GLY 35 CO 0.02 -0.45 -0.15 -1.58 0.00 0.00 0.00 173.10 170.94 1v3s s HIS 36 N -3.94 1.40 -1.06 1.90 2.46 -1.26 -0.73 115.29 114.06 1v3s s HIS 36 Ca 0.14 -0.29 0.28 0.00 0.47 0.00 0.00 55.06 55.67 1v3s s HIS 36 Cb -0.01 -0.91 1.07 0.00 -0.13 0.00 0.00 32.58 32.61 1v3s s HIS 36 CO 0.02 -0.04 1.81 0.41 -2.47 0.00 0.00 174.74 174.46 1v3s n GLY 37 N 2.78 -1.40 3.64 1.59 0.00 -1.26 -5.09 105.19 105.46 1v3s n GLY 37 Ca -0.15 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1v3s n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v3s s LEU 55 N -2.95 3.39 0.01 0.99 1.43 -1.26 -5.16 118.68 115.14 1v3s s LEU 55 Ca 0.15 0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.33 1v3s s LEU 55 Cb 0.19 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 1v3s s LEU 55 CO 0.56 0.33 -0.20 -1.00 0.23 0.00 0.00 176.35 176.28 1v3s s HIS 56 N -0.94 1.74 0.25 0.29 3.76 0.09 -4.85 115.29 115.63 1v3s s HIS 56 Ca 0.15 -0.35 -0.30 0.00 -0.15 0.00 0.00 55.06 54.42 1v3s s HIS 56 Cb -0.11 -1.08 -0.10 0.00 1.11 0.00 0.00 32.58 32.40 1v3s s HIS 56 CO 0.05 0.03 1.34 -1.21 -0.85 0.00 0.00 174.74 174.09 1v3s s GLU 57 N -0.80 4.36 0.26 1.40 2.02 -1.26 -0.61 118.70 124.07 1v3s s GLU 57 Ca 0.07 2.16 -0.02 0.00 0.02 0.00 0.00 54.97 57.20 1v3s s GLU 57 Cb -0.08 -3.13 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 1v3s s GLU 57 CO 0.00 -0.26 0.30 0.15 0.02 0.00 0.00 175.26 175.47 1v3s s LYS 58 N -0.72 1.51 -0.08 1.61 -0.14 0.09 -4.53 119.74 117.49 1v3s s LYS 58 Ca 0.55 -1.65 0.05 0.00 -1.36 0.00 0.00 55.97 53.55 1v3s s LYS 58 Cb -0.39 0.36 -0.00 0.00 -1.68 0.00 0.00 37.83 36.12 1v3s s LYS 58 CO 0.44 -0.57 -0.23 0.08 -0.76 0.00 0.00 175.35 174.31 1v3s s VAL 59 N -3.78 1.93 -0.22 3.17 1.01 -0.28 -1.38 120.40 120.85 1v3s s VAL 59 Ca 0.34 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1v3s s VAL 59 Cb 0.03 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1v3s s VAL 59 CO 0.16 0.54 0.03 -0.60 0.00 0.00 0.00 175.10 175.23 1v3s s ARG 60 N 0.17 3.65 -0.11 2.72 3.52 -0.27 -1.00 118.95 127.63 1v3s s ARG 60 Ca -0.12 -0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 54.95 1v3s s ARG 60 Cb -0.16 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1v3s s ARG 60 CO 0.06 -0.07 0.02 -0.51 -0.81 0.00 0.00 175.30 173.99 1v3s s LEU 61 N 1.26 3.68 -0.22 -0.88 1.02 0.77 -1.56 118.68 122.75 1v3s s LEU 61 Ca 0.04 0.15 0.01 0.00 0.02 0.00 0.00 54.13 54.36 1v3s s LEU 61 Cb -0.15 -1.87 0.05 0.00 0.02 0.00 0.00 46.19 44.25 1v3s s LEU 61 CO 0.02 0.34 -0.10 -0.70 0.02 0.00 0.00 176.35 175.92 1v3s s GLU 62 N -0.62 2.09 -0.17 1.70 2.12 0.11 -1.03 118.70 122.90 1v3s s GLU 62 Ca 0.10 -0.97 -0.00 0.00 0.36 0.00 0.00 54.97 54.46 1v3s s GLU 62 Cb -0.12 -2.55 0.04 0.00 0.26 0.00 0.00 34.13 31.76 1v3s s GLU 62 CO 0.02 -0.47 -0.07 0.42 -0.54 0.00 0.00 175.26 174.63 1v3s s ILE 63 N 1.33 1.25 -0.20 -3.70 1.01 0.72 -1.17 121.20 120.44 1v3s s ILE 63 Ca -0.03 -0.68 -0.19 0.00 0.00 0.00 0.00 60.65 59.75 1v3s s ILE 63 Cb -0.17 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1v3s s ILE 63 CO -0.08 0.18 0.55 -0.83 0.00 0.00 0.00 174.94 174.76 1v3s s GLY 64 N 1.58 2.08 0.07 6.18 0.00 -1.26 -0.20 107.32 115.77 1v3s s GLY 64 Ca 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.38 1v3s s GLY 64 CO -0.08 1.13 -0.06 -1.34 0.00 0.00 0.00 173.10 172.75 1v3s s VAL 65 N 1.68 0.55 0.75 1.40 -7.23 -0.31 -4.94 120.40 112.30 1v3s s VAL 65 Ca 0.25 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.75 1v3s s VAL 65 Cb -0.16 -1.20 0.04 0.00 0.56 0.00 0.00 36.38 35.62 1v3s s VAL 65 CO 0.10 -0.69 1.08 -0.94 -0.31 0.00 0.00 175.10 174.33 1v3s s SER 66 N -2.42 4.92 0.26 4.85 1.04 -1.26 -1.22 113.70 119.86 1v3s s SER 66 Ca 0.02 1.48 -0.04 0.00 0.48 0.00 0.00 55.95 57.89 1v3s s SER 66 Cb -0.01 -2.28 0.52 0.00 0.10 0.00 0.00 66.02 64.35 1v3s s SER 66 CO -0.03 -1.72 1.67 -0.33 0.98 0.00 0.00 173.24 173.80 1v3s h GLU 67 N -0.91 0.22 0.00 4.02 4.39 -1.96 -0.45 114.58 119.88 1v3s h GLU 67 Ca -0.45 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1v3s h GLU 67 Cb 1.24 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1v3s h GLU 67 CO 0.58 0.14 0.00 -1.35 -1.16 0.00 0.00 179.01 177.22 1v3s h PRO 68 N 0.22 0.00 -0.02 2.33 0.11 -2.04 -2.90 132.00 129.71 1v3s h PRO 68 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1v3s h PRO 68 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1v3s h PRO 68 CO -0.58 0.00 -0.17 1.19 -0.21 0.00 0.00 178.00 178.24 1v3s n PHE 69 N -3.07 0.00 0.38 0.65 3.01 -0.18 -4.46 117.46 113.78 1v3s n PHE 69 Ca -0.01 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.27 1v3s n PHE 69 Cb 0.19 -0.04 -0.09 0.00 -0.01 0.00 0.00 39.48 39.54 1v3s n PHE 69 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1v3s h VAL 70 N 2.48 0.33 -0.12 -4.37 2.07 -1.48 -1.45 116.25 113.71 1v3s h VAL 70 Ca 0.00 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1v3s h VAL 70 Cb 0.65 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1v3s h VAL 70 CO 0.00 0.00 0.07 0.11 0.02 0.00 0.00 177.57 177.77 1v3s h LYS 71 N -0.92 0.16 -1.00 1.57 6.56 -1.81 0.24 116.57 121.37 1v3s h LYS 71 Ca -0.09 -0.01 0.15 0.00 -1.06 0.00 0.00 60.65 59.63 1v3s h LYS 71 Cb 0.71 -0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 32.24 1v3s h LYS 71 CO 0.15 0.14 0.62 -1.35 -2.06 0.00 0.00 179.45 176.95 1v3s h PRO 72 N 0.14 0.87 -0.13 3.15 0.11 -1.78 0.22 132.00 134.58 1v3s h PRO 72 Ca 0.04 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 1v3s h PRO 72 Cb 0.01 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 30.93 1v3s h PRO 72 CO -0.01 0.58 -0.12 1.15 -0.21 0.00 0.00 178.00 179.39 1v3s h THR 73 N 0.90 1.35 -0.43 -1.15 2.02 -0.81 -1.62 112.91 113.16 1v3s h THR 73 Ca 0.53 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1v3s h THR 73 Cb 0.65 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 1v3s h THR 73 CO -0.30 0.36 0.27 0.58 0.37 0.00 0.00 175.52 176.80 1v3s h VAL 74 N -0.07 1.12 -0.67 3.16 2.07 -0.15 -2.57 116.25 119.15 1v3s h VAL 74 Ca 0.02 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1v3s h VAL 74 Cb 0.63 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1v3s h VAL 74 CO 0.03 0.12 0.11 -0.33 0.02 0.00 0.00 177.57 177.52 1v3s h GLU 75 N 0.57 1.10 -0.62 1.57 5.08 -0.60 -0.07 114.58 121.61 1v3s h GLU 75 Ca 0.15 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1v3s h GLU 75 Cb -0.03 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1v3s h GLU 75 CO -0.03 1.00 0.36 0.00 -1.00 0.00 0.00 179.01 179.34 1v3s h ALA 76 N 1.08 0.82 -0.11 3.43 0.00 -1.07 -1.55 119.26 121.85 1v3s h ALA 76 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1v3s h ALA 76 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1v3s h ALA 76 CO 0.01 0.06 -0.34 0.82 0.00 0.00 0.00 179.25 179.80 1v3s h ILE 77 N 0.68 1.39 -0.43 0.00 2.04 -1.22 -2.16 117.51 117.82 1v3s h ILE 77 Ca 0.27 -1.67 0.06 0.00 1.00 0.00 0.00 64.86 64.52 1v3s h ILE 77 Cb 0.11 2.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 1v3s h ILE 77 CO -0.15 0.49 0.11 -0.07 0.00 0.00 0.00 178.15 178.53 1v3s h LEU 78 N -0.01 0.05 -0.21 1.44 3.38 -0.80 0.02 115.31 119.18 1v3s h LEU 78 Ca -0.01 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1v3s h LEU 78 Cb 0.97 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1v3s h LEU 78 CO 0.07 0.06 -0.29 0.11 0.09 0.00 0.00 178.44 178.49 1v3s h LYS 79 N 0.25 0.56 0.00 1.13 1.57 -1.34 -3.15 116.57 115.59 1v3s h LYS 79 Ca 0.21 -0.33 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 1v3s h LYS 79 Cb 0.24 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1v3s h LYS 79 CO -0.25 0.93 -0.77 0.00 -0.57 0.00 0.00 179.45 178.79 1v3s h ALA 80 N 0.63 0.61 0.00 3.86 0.00 -1.26 -3.33 119.26 119.76 1v3s h ALA 80 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1v3s h ALA 80 Cb 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1v3s h ALA 80 CO 0.07 0.96 -0.69 0.00 0.00 0.00 0.00 179.25 179.58 1v3s n ALA 81 N -2.34 3.50 -1.92 0.00 0.00 -0.02 -4.61 120.51 115.13 1v3s n ALA 81 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 1v3s n ALA 81 Cb 0.79 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.14 1v3s n ALA 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1v3s s ARG 82 N -3.08 4.56 0.00 0.00 3.52 -1.19 -4.81 118.95 117.96 1v3s s ARG 82 Ca 0.08 1.84 0.00 0.00 -0.13 0.00 0.00 55.73 57.52 1v3s s ARG 82 Cb 0.16 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 1v3s s ARG 82 CO 0.74 0.05 0.00 0.25 -0.81 0.00 0.00 175.30 175.54 1v3s n THR 83 N 1.84 0.00 -0.19 4.11 -2.24 -1.26 -5.02 114.28 111.52 1v3s n THR 83 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1v3s n THR 83 Cb 0.45 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1v3s n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v3s n GLY 84 N 2.16 0.67 3.77 3.38 0.00 -1.26 -5.06 105.19 108.86 1v3s n GLY 84 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1v3s n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1v3s s GLU 85 N -0.74 2.81 0.24 1.61 2.56 -1.26 -5.06 118.70 118.86 1v3s s GLU 85 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 54.97 53.74 1v3s s GLU 85 Cb 0.00 -2.59 -0.13 0.00 2.00 0.00 0.00 34.13 33.41 1v3s s GLU 85 CO 0.00 0.48 1.57 0.28 -0.56 0.00 0.00 175.26 177.03 1v3s n VAL 86 N -0.33 0.62 0.00 3.70 0.31 -1.26 -3.26 118.33 118.10 1v3s n VAL 86 Ca -0.08 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1v3s n VAL 86 Cb 0.55 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1v3s n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v3s n GLY 87 N 2.75 1.04 0.24 2.92 0.00 -1.26 -5.02 105.19 105.87 1v3s n GLY 87 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1v3s n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1v3s h ASP 88 N 0.00 0.06 -5.00 1.61 3.45 -1.90 -3.43 116.42 111.22 1v3s h ASP 88 Ca 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1v3s h ASP 88 Cb 0.00 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 1v3s h ASP 88 CO 0.00 0.16 0.00 0.61 -1.57 0.00 0.00 179.24 178.44 1v3s n GLY 89 N -1.21 -0.53 3.14 2.75 0.00 -1.26 -4.23 105.19 103.85 1v3s n GLY 89 Ca -0.02 -2.26 -0.08 0.00 0.00 0.00 0.00 46.02 43.66 1v3s n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v3s s LYS 90 N -0.72 0.75 -0.14 1.61 1.02 -1.18 -4.98 119.74 116.10 1v3s s LYS 90 Ca 0.00 -1.19 -0.00 0.00 0.02 0.00 0.00 55.97 54.80 1v3s s LYS 90 Cb 0.00 0.26 0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1v3s s LYS 90 CO 0.00 -0.19 -0.10 0.42 -0.92 0.00 0.00 175.35 174.56 1v3s s ILE 91 N -3.93 1.32 -0.13 2.17 1.01 -1.26 -1.53 121.20 118.84 1v3s s ILE 91 Ca 0.10 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 1v3s s ILE 91 Cb 0.07 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1v3s s ILE 91 CO -0.08 0.35 0.07 -0.36 0.00 0.00 0.00 174.94 174.92 1v3s s PHE 92 N 1.58 3.33 -0.27 3.97 0.40 0.11 -4.96 117.98 122.14 1v3s s PHE 92 Ca 0.04 0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.60 1v3s s PHE 92 Cb -0.13 -1.94 0.03 0.00 0.51 0.00 0.00 43.02 41.49 1v3s s PHE 92 CO -0.09 0.44 -0.01 0.08 0.70 0.00 0.00 175.22 176.34 1v3s s VAL 93 N -0.49 3.14 0.00 -0.44 1.01 -1.26 -0.61 120.40 121.75 1v3s s VAL 93 Ca 0.10 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1v3s s VAL 93 Cb -0.12 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1v3s s VAL 93 CO 0.02 0.08 -0.04 -0.76 0.00 0.00 0.00 175.10 174.40 1v3s s LEU 94 N 1.34 3.32 0.48 3.92 1.43 0.34 -4.95 118.68 124.55 1v3s s LEU 94 Ca -0.01 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 52.79 1v3s s LEU 94 Cb -0.18 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 1v3s s LEU 94 CO -0.02 0.28 1.07 -2.16 0.23 0.00 0.00 176.35 175.76 1v3s s PRO 95 N -1.48 3.75 -0.07 1.29 0.04 -1.26 -0.85 135.00 136.42 1v3s s PRO 95 Ca 0.18 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.72 1v3s s PRO 95 Cb -0.11 -2.18 0.02 0.00 0.04 0.00 0.00 34.50 32.27 1v3s s PRO 95 CO 0.09 -0.49 -0.11 0.08 0.04 0.00 0.00 177.00 176.60 1v3s s VAL 96 N -1.84 1.12 -0.03 -0.36 1.01 -1.18 -4.73 120.40 114.39 1v3s s VAL 96 Ca 0.67 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 1v3s s VAL 96 Cb -0.20 -1.05 -0.30 0.00 0.00 0.00 0.00 36.38 34.84 1v3s s VAL 96 CO 0.24 0.36 0.95 -0.33 0.00 0.00 0.00 175.10 176.32 1v3s h GLU 97 N 7.18 0.33 -3.45 2.72 5.08 -1.96 -3.42 114.58 121.07 1v3s h GLU 97 Ca -0.31 -0.51 -0.11 0.00 -1.00 0.00 0.00 59.36 57.43 1v3s h GLU 97 Cb 1.18 0.18 -0.18 0.00 0.50 0.00 0.00 28.75 30.43 1v3s h GLU 97 CO 0.47 1.22 -0.35 0.15 -1.00 0.00 0.00 179.01 179.49 1v3s s LYS 98 N -2.61 0.70 -0.01 2.33 1.02 -1.26 -5.02 119.74 114.89 1v3s s LYS 98 Ca -0.13 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 55.32 1v3s s LYS 98 Cb 0.02 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1v3s s LYS 98 CO 0.83 -0.21 -0.03 0.08 -0.92 0.00 0.00 175.35 175.11 1v3s s VAL 99 N -2.36 0.27 0.02 3.17 1.01 -1.26 -5.06 120.40 116.19 1v3s s VAL 99 Ca -0.07 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1v3s s VAL 99 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1v3s s VAL 99 CO -0.03 0.10 -0.19 -0.31 0.00 0.00 0.00 175.10 174.67 1v3s s TYR 100 N 0.13 1.69 -0.36 5.22 1.51 -1.26 -2.06 117.35 122.22 1v3s s TYR 100 Ca -0.01 -0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 55.53 1v3s s TYR 100 Cb -0.04 -1.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1v3s s TYR 100 CO -0.00 0.04 0.46 0.50 -1.11 0.00 0.00 175.55 175.43 1v3s s ARG 101 N -0.86 3.53 0.28 -0.62 3.52 -0.29 -4.96 118.95 119.54 1v3s s ARG 101 Ca 0.07 -0.32 -0.03 0.00 -0.13 0.00 0.00 55.73 55.31 1v3s s ARG 101 Cb -0.08 -3.83 0.37 0.00 -1.56 0.00 0.00 34.95 29.85 1v3s s ARG 101 CO 0.01 -0.64 1.90 0.82 -0.81 0.00 0.00 175.30 176.57 1v3s h ILE 102 N 5.61 1.23 -0.98 4.11 2.04 -1.95 0.16 117.51 127.74 1v3s h ILE 102 Ca -0.28 -0.58 0.13 0.00 1.00 0.00 0.00 64.86 65.13 1v3s h ILE 102 Cb 1.13 0.20 -0.09 0.00 -0.74 0.00 0.00 36.82 37.32 1v3s h ILE 102 CO 0.75 0.26 0.60 -0.09 0.00 0.00 0.00 178.15 179.67 1v3s h ARG 103 N 1.07 0.88 0.00 2.37 2.43 -1.97 -2.79 114.38 116.38 1v3s h ARG 103 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1v3s h ARG 103 Cb 0.04 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1v3s h ARG 103 CO -0.04 0.59 -1.17 0.25 -1.51 0.00 0.00 179.97 178.08 1v3s n THR 104 N -4.67 0.00 -1.10 0.20 -2.24 -1.13 -4.97 114.28 100.36 1v3s n THR 104 Ca 0.19 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.72 1v3s n THR 104 Cb 0.39 0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 1v3s n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v3s n GLY 105 N 1.45 0.58 3.90 3.38 0.00 0.56 -5.00 105.19 110.06 1v3s n GLY 105 Ca 0.01 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1v3s n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v3s s GLU 106 N -1.58 3.45 0.00 1.61 2.02 -1.18 -4.90 118.70 118.12 1v3s s GLU 106 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1v3s s GLU 106 Cb 0.00 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1v3s s GLU 106 CO 0.00 0.67 0.00 -1.91 0.02 0.00 0.00 175.26 174.04 1v3s n GLU 107 N 0.94 1.55 0.00 1.61 2.13 -1.26 -1.13 120.64 124.48 1v3s n GLU 107 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1v3s n GLU 107 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 1v3s n GLU 107 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25