#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 0.56 -0.24 0.03 -0.14 -0.57 -2.78 119.74 116.60 1v3s s LYS 2 Ca 0.00 -0.87 0.01 0.00 -1.36 0.00 0.00 55.97 53.75 1v3s s LYS 2 Cb 0.00 0.21 0.04 0.00 -1.68 0.00 0.00 37.83 36.40 1v3s s LYS 2 CO 0.00 -0.13 -0.11 -1.17 -0.76 0.00 0.00 175.35 173.18 1v3s s LEU 3 N -2.27 3.13 -0.22 3.17 2.96 0.14 -1.37 118.68 124.22 1v3s s LEU 3 Ca -0.03 -1.10 -0.16 0.00 -0.22 0.00 0.00 54.13 52.62 1v3s s LEU 3 Cb 0.00 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1v3s s LEU 3 CO -0.06 -0.14 0.41 -0.63 -1.32 0.00 0.00 176.35 174.61 1v3s s ILE 4 N 1.21 5.18 -0.26 6.68 1.01 0.55 -0.21 121.20 135.35 1v3s s ILE 4 Ca -0.03 0.71 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 1v3s s ILE 4 Cb -0.18 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.57 1v3s s ILE 4 CO -0.06 0.21 -0.01 -0.69 0.00 0.00 0.00 174.94 174.39 1v3s s VAL 5 N 1.58 3.28 -0.07 2.92 1.01 0.69 -0.06 120.40 129.75 1v3s s VAL 5 Ca 0.19 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1v3s s VAL 5 Cb -0.15 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1v3s s VAL 5 CO 0.08 0.16 -0.23 0.00 0.00 0.00 0.00 175.10 175.12 1v3s s ALA 6 N 1.39 2.01 -0.25 5.51 0.00 -0.11 0.21 121.76 130.54 1v3s s ALA 6 Ca 0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1v3s s ALA 6 Cb -0.17 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.27 1v3s s ALA 6 CO -0.02 0.33 -0.03 0.42 0.00 0.00 0.00 175.76 176.45 1v3s s ILE 7 N 0.13 3.24 0.29 0.00 1.01 -0.48 0.20 121.20 125.60 1v3s s ILE 7 Ca -0.11 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1v3s s ILE 7 Cb -0.15 -2.58 -0.06 0.00 0.01 0.00 0.00 42.46 39.68 1v3s s ILE 7 CO 0.06 0.27 0.07 0.68 0.00 0.00 0.00 174.94 176.02 1v3s s VAL 8 N 1.41 0.92 0.30 2.92 -7.23 -0.32 -2.86 120.40 115.54 1v3s s VAL 8 Ca 0.03 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.91 1v3s s VAL 8 Cb -0.16 -2.72 -0.10 0.00 0.56 0.00 0.00 36.38 33.97 1v3s s VAL 8 CO -0.03 -0.01 1.25 -0.13 -0.31 0.00 0.00 175.10 175.87 1v3s s ARG 9 N -3.95 4.45 0.36 4.82 0.52 -1.26 -0.89 118.95 123.00 1v3s s ARG 9 Ca 0.37 2.07 0.06 0.00 -0.52 0.00 0.00 55.73 57.71 1v3s s ARG 9 Cb 0.08 -3.12 0.75 0.00 0.52 0.00 0.00 34.95 33.18 1v3s s ARG 9 CO 0.15 -0.08 1.96 -1.35 0.02 0.00 0.00 175.30 176.00 1v3s h PRO 10 N 3.81 0.73 0.00 3.54 0.11 -1.90 -0.68 132.00 137.60 1v3s h PRO 10 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1v3s h PRO 10 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1v3s h PRO 10 CO 0.68 0.48 0.00 -0.85 -0.21 0.00 0.00 178.00 178.10 1v3s n GLU 11 N -4.48 0.20 0.00 1.05 0.00 -1.26 -2.40 120.64 113.75 1v3s n GLU 11 Ca 0.10 0.14 0.06 0.00 0.00 0.00 0.00 57.16 57.47 1v3s n GLU 11 Cb 0.23 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.15 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 -1.33 2.04 0.03 3.44 4.76 -0.28 -4.69 118.16 122.14 1v3s n LYS 12 Ca 0.07 -0.57 -0.11 0.00 -2.87 0.00 0.00 58.31 54.83 1v3s n LYS 12 Cb 0.15 -1.17 -0.04 0.00 -1.84 0.00 0.00 35.03 32.12 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 1.19 -0.89 -0.59 -0.35 5.85 -1.33 -0.91 115.31 118.27 1v3s h LEU 13 Ca 0.00 0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1v3s h LEU 13 Cb 0.43 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 1v3s h LEU 13 CO 0.00 -0.35 0.18 0.78 -0.34 0.00 0.00 178.44 178.71 1v3s h ASN 14 N -0.41 0.12 -0.17 1.25 -0.26 -1.83 0.24 115.58 114.52 1v3s h ASN 14 Ca 0.08 0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1v3s h ASN 14 Cb 0.52 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.87 1v3s h ASN 14 CO -0.29 0.08 0.10 -0.33 -1.06 0.00 0.00 177.43 175.92 1v3s h GLU 15 N 0.33 0.23 -0.15 0.81 5.08 -1.78 -1.15 114.58 117.95 1v3s h GLU 15 Ca 0.30 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 1v3s h GLU 15 Cb 0.41 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1v3s h GLU 15 CO -0.34 0.20 -0.07 0.28 -1.00 0.00 0.00 179.01 178.08 1v3s h VAL 16 N 0.19 0.78 -0.85 3.13 2.07 -0.24 -0.93 116.25 120.39 1v3s h VAL 16 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1v3s h VAL 16 Cb 0.04 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1v3s h VAL 16 CO -0.01 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 178.07 1v3s h LEU 17 N -0.05 0.87 -0.37 2.57 3.38 -0.36 -0.55 115.31 120.80 1v3s h LEU 17 Ca 0.08 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1v3s h LEU 17 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1v3s h LEU 17 CO -0.18 0.57 0.07 0.11 0.09 0.00 0.00 178.44 179.10 1v3s h LYS 18 N 0.99 0.60 -0.52 1.13 1.57 -0.48 -0.98 116.57 118.88 1v3s h LYS 18 Ca 0.35 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 1v3s h LYS 18 Cb 0.14 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1v3s h LYS 18 CO -0.12 0.66 0.06 0.00 -0.57 0.00 0.00 179.45 179.48 1v3s h ALA 19 N 0.92 1.12 -0.25 3.86 0.00 -0.50 -1.03 119.26 123.38 1v3s h ALA 19 Ca 0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1v3s h ALA 19 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1v3s h ALA 19 CO 0.01 0.57 -0.07 -0.07 0.00 0.00 0.00 179.25 179.69 1v3s h LEU 20 N 0.79 0.50 -0.56 0.00 3.38 -0.95 -1.86 115.31 116.61 1v3s h LEU 20 Ca 0.16 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1v3s h LEU 20 Cb 0.39 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1v3s h LEU 20 CO 0.01 0.75 0.33 0.15 0.09 0.00 0.00 178.44 179.77 1v3s h PHE 21 N 0.24 0.62 -0.49 1.13 3.57 -0.91 0.10 116.94 121.20 1v3s h PHE 21 Ca 0.06 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1v3s h PHE 21 Cb 0.54 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1v3s h PHE 21 CO 0.05 0.35 0.15 0.37 -2.23 0.00 0.00 178.31 177.00 1v3s h GLN 22 N 0.66 0.72 -0.20 1.11 4.15 -1.11 -1.42 115.11 119.02 1v3s h GLN 22 Ca 0.23 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1v3s h GLN 22 Cb 0.03 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1v3s h GLN 22 CO -0.10 0.63 0.00 0.00 -1.93 0.00 0.00 178.83 177.43 1v3s n ALA 23 N -2.46 2.50 -1.71 3.38 0.00 -0.68 -4.84 120.51 116.70 1v3s n ALA 23 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1v3s n ALA 23 Cb 0.19 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.36 -0.86 -3.51 0.00 1.02 -0.53 -4.96 120.64 111.43 1v3s n GLU 24 Ca 0.01 0.77 -0.42 0.00 -0.02 0.00 0.00 57.16 57.49 1v3s n GLU 24 Cb 0.06 -4.82 -0.08 0.00 -0.02 0.00 0.00 31.44 26.58 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 -2.49 4.40 -0.16 2.62 1.01 0.27 -4.90 120.40 121.15 1v3s s VAL 25 Ca 0.00 -1.71 0.12 0.00 0.00 0.00 0.00 61.98 60.39 1v3s s VAL 25 Cb 0.00 -3.87 -0.18 0.00 0.00 0.00 0.00 36.38 32.33 1v3s s VAL 25 CO 0.00 -0.78 0.02 0.54 0.00 0.00 0.00 175.10 174.88 1v3s n ARG 26 N 4.97 1.32 -2.41 2.72 1.74 -1.26 -3.55 116.66 120.19 1v3s n ARG 26 Ca -0.09 0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.57 1v3s n ARG 26 Cb 0.41 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 1v3s n ARG 26 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1v3s s GLY 27 N -5.06 1.76 -0.02 -0.13 0.00 -1.26 -4.99 107.32 97.63 1v3s s GLY 27 Ca -0.11 0.53 -0.29 0.00 0.00 0.00 0.00 44.72 44.85 1v3s s GLY 27 CO 0.60 2.44 0.91 0.48 0.00 0.00 0.00 173.10 177.54 1v3s s LEU 28 N 3.15 -0.35 0.02 0.66 0.05 -1.26 -4.50 118.68 116.45 1v3s s LEU 28 Ca 0.56 0.01 0.03 0.00 0.05 0.00 0.00 54.13 54.78 1v3s s LEU 28 Cb -0.23 1.99 -0.01 0.00 -2.05 0.00 0.00 46.19 45.88 1v3s s LEU 28 CO 0.17 -0.60 -0.10 -0.89 -0.55 0.00 0.00 176.35 174.39 1v3s s THR 29 N -3.05 0.79 0.08 5.48 2.01 -0.50 -5.00 115.64 115.45 1v3s s THR 29 Ca 0.05 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 1v3s s THR 29 Cb -0.01 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1v3s s THR 29 CO -0.09 0.03 0.15 -1.48 -0.69 0.00 0.00 174.62 172.54 1v3s s LEU 30 N -0.74 1.64 0.20 4.42 0.05 -1.26 -0.10 118.68 122.90 1v3s s LEU 30 Ca 0.00 -0.72 -0.18 0.00 0.05 0.00 0.00 54.13 53.28 1v3s s LEU 30 Cb -0.06 0.87 0.03 0.00 -2.05 0.00 0.00 46.19 44.98 1v3s s LEU 30 CO 0.00 -0.70 0.55 -0.94 -0.55 0.00 0.00 176.35 174.71 1v3s s SER 31 N -2.87 -0.29 -0.04 1.48 1.04 -0.87 -5.00 113.70 107.15 1v3s s SER 31 Ca 0.05 -0.45 -0.15 0.00 0.48 0.00 0.00 55.95 55.88 1v3s s SER 31 Cb 0.05 0.60 -0.05 0.00 0.10 0.00 0.00 66.02 66.72 1v3s s SER 31 CO -0.11 -1.08 0.41 -0.13 0.98 0.00 0.00 173.24 173.31 1v3s s ARG 32 N -3.87 4.02 0.22 4.02 1.81 -1.26 -0.91 118.95 122.98 1v3s s ARG 32 Ca 0.09 0.38 0.00 0.00 -1.72 0.00 0.00 55.73 54.48 1v3s s ARG 32 Cb -0.02 -3.28 -0.05 0.00 -0.45 0.00 0.00 34.95 31.16 1v3s s ARG 32 CO -0.03 0.56 0.10 0.14 -0.68 0.00 0.00 175.30 175.39 1v3s s VAL 33 N -0.63 0.30 -0.10 3.52 -7.23 -0.38 -4.93 120.40 110.94 1v3s s VAL 33 Ca 0.23 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 1v3s s VAL 33 Cb -0.16 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 1v3s s VAL 33 CO 0.12 -0.07 -0.16 -1.10 -0.31 0.00 0.00 175.10 173.57 1v3s s GLN 34 N -4.08 3.08 0.14 4.82 -1.52 -1.26 -0.80 119.66 120.04 1v3s s GLN 34 Ca 0.36 -0.74 -0.02 0.00 -1.95 0.00 0.00 55.36 53.01 1v3s s GLN 34 Cb 0.07 -2.48 -0.04 0.00 -0.22 0.00 0.00 33.01 30.35 1v3s s GLN 34 CO 0.11 0.30 0.09 0.20 -0.25 0.00 0.00 175.29 175.74 1v3s s GLY 35 N 0.10 0.95 0.01 3.09 0.00 0.63 -4.88 107.32 107.22 1v3s s GLY 35 Ca -0.08 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.26 1v3s s GLY 35 CO 0.05 -1.30 -0.09 -1.58 0.00 0.00 0.00 173.10 170.18 1v3s s HIS 36 N -4.04 0.82 0.50 1.90 2.46 -1.26 -0.43 115.29 115.23 1v3s s HIS 36 Ca 0.24 -0.23 0.09 0.00 0.47 0.00 0.00 55.06 55.62 1v3s s HIS 36 Cb 0.07 -0.51 0.05 0.00 -0.13 0.00 0.00 32.58 32.06 1v3s s HIS 36 CO 0.02 -0.01 0.65 0.20 -2.47 0.00 0.00 174.74 173.13 1v3s s GLY 37 N -0.58 1.89 0.22 1.59 0.00 -1.26 -4.96 107.32 104.21 1v3s s GLY 37 Ca 0.01 -1.89 0.19 0.00 0.00 0.00 0.00 44.72 43.03 1v3s s GLY 37 CO 0.00 -1.64 1.59 0.61 0.00 0.00 0.00 173.10 173.66 1v3s n GLY 38 N -2.01 -1.02 2.91 0.20 0.00 -1.26 -4.59 105.19 99.41 1v3s n GLY 38 Ca 0.11 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1v3s n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v3s s GLU 39 N -3.32 0.12 0.80 1.61 2.02 -1.26 -5.26 118.70 113.41 1v3s s GLU 39 Ca 0.02 -0.21 -0.08 0.00 0.02 0.00 0.00 54.97 54.72 1v3s s GLU 39 Cb 0.07 0.02 0.13 0.00 0.10 0.00 0.00 34.13 34.45 1v3s s GLU 39 CO 0.27 -0.01 1.12 0.95 0.02 0.00 0.00 175.26 177.61 1v3s s THR 40 N -0.48 2.13 -0.05 3.63 -4.23 -1.26 -4.87 115.64 110.49 1v3s s THR 40 Ca -0.05 -0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.16 1v3s s THR 40 Cb -0.03 -2.87 0.01 0.00 1.34 0.00 0.00 72.50 70.96 1v3s s THR 40 CO -0.00 0.00 0.08 -0.62 -0.54 0.00 0.00 174.62 173.53 1v3s n GLU 54 N -3.21 -1.55 -3.68 3.99 4.71 -1.26 -4.94 120.64 114.69 1v3s n GLU 54 Ca 0.13 1.50 -0.25 0.00 -0.01 0.00 0.00 57.16 58.53 1v3s n GLU 54 Cb 0.60 -2.30 -0.02 0.00 -1.01 0.00 0.00 31.44 28.71 1v3s n GLU 54 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1v3s s LEU 55 N -0.22 4.19 0.04 -4.62 1.02 -1.26 -4.79 118.68 113.05 1v3s s LEU 55 Ca -0.09 0.32 0.07 0.00 0.02 0.00 0.00 54.13 54.45 1v3s s LEU 55 Cb 0.01 -3.12 -0.02 0.00 0.02 0.00 0.00 46.19 43.07 1v3s s LEU 55 CO 0.24 -0.12 -0.19 -1.00 0.02 0.00 0.00 176.35 175.29 1v3s s HIS 56 N -2.03 1.66 0.28 0.29 3.76 0.43 -4.86 115.29 114.82 1v3s s HIS 56 Ca 0.38 -0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 54.62 1v3s s HIS 56 Cb -0.10 -0.99 -0.10 0.00 1.11 0.00 0.00 32.58 32.51 1v3s s HIS 56 CO 0.31 0.08 1.13 -2.00 -0.85 0.00 0.00 174.74 173.41 1v3s s GLU 57 N -1.18 4.59 0.19 1.40 2.12 -1.26 -0.27 118.70 124.30 1v3s s GLU 57 Ca 0.06 1.86 -0.02 0.00 0.36 0.00 0.00 54.97 57.23 1v3s s GLU 57 Cb -0.09 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1v3s s GLU 57 CO 0.02 0.14 0.15 0.15 -0.54 0.00 0.00 175.26 175.18 1v3s s LYS 58 N -1.42 1.18 -0.15 4.30 -0.14 0.02 -4.55 119.74 118.99 1v3s s LYS 58 Ca 0.45 -1.56 -0.00 0.00 -1.36 0.00 0.00 55.97 53.50 1v3s s LYS 58 Cb -0.33 0.28 -0.01 0.00 -1.68 0.00 0.00 37.83 36.09 1v3s s LYS 58 CO 0.42 -0.39 -0.13 0.08 -0.76 0.00 0.00 175.35 174.58 1v3s s VAL 59 N -4.13 2.96 -0.28 3.17 1.01 -0.07 -1.25 120.40 121.81 1v3s s VAL 59 Ca 0.35 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1v3s s VAL 59 Cb 0.06 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1v3s s VAL 59 CO 0.10 0.51 0.13 -0.60 0.00 0.00 0.00 175.10 175.24 1v3s s ARG 60 N 0.59 3.61 -0.12 2.72 3.52 -0.09 -1.17 118.95 128.02 1v3s s ARG 60 Ca -0.08 -0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 54.93 1v3s s ARG 60 Cb -0.16 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1v3s s ARG 60 CO 0.03 -0.28 0.11 -0.51 -0.81 0.00 0.00 175.30 173.85 1v3s s LEU 61 N 1.65 4.20 -0.20 -0.88 1.02 0.13 -2.04 118.68 122.56 1v3s s LEU 61 Ca 0.06 0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.60 1v3s s LEU 61 Cb -0.16 -2.02 0.05 0.00 0.02 0.00 0.00 46.19 44.08 1v3s s LEU 61 CO 0.07 0.39 -0.08 -0.70 0.02 0.00 0.00 176.35 176.04 1v3s s GLU 62 N -0.94 1.86 -0.20 1.70 2.12 0.86 -0.93 118.70 123.17 1v3s s GLU 62 Ca 0.14 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1v3s s GLU 62 Cb -0.12 -2.41 0.05 0.00 0.26 0.00 0.00 34.13 31.91 1v3s s GLU 62 CO 0.03 -0.47 -0.07 0.42 -0.54 0.00 0.00 175.26 174.64 1v3s s ILE 63 N 1.42 1.42 -0.12 -3.70 1.01 0.91 -1.40 121.20 120.75 1v3s s ILE 63 Ca -0.02 -0.98 -0.25 0.00 0.00 0.00 0.00 60.65 59.40 1v3s s ILE 63 Cb -0.17 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1v3s s ILE 63 CO -0.08 0.04 0.79 -0.83 0.00 0.00 0.00 174.94 174.87 1v3s s GLY 64 N 1.47 2.36 0.06 6.18 0.00 -1.26 -0.33 107.32 115.80 1v3s s GLY 64 Ca -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 44.72 44.80 1v3s s GLY 64 CO -0.07 1.49 -0.04 -1.34 0.00 0.00 0.00 173.10 173.14 1v3s s VAL 65 N 1.56 0.32 0.63 1.40 -7.23 -0.47 -4.95 120.40 111.66 1v3s s VAL 65 Ca 0.39 -1.72 -0.10 0.00 -1.81 0.00 0.00 61.98 58.73 1v3s s VAL 65 Cb -0.17 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 1v3s s VAL 65 CO 0.16 -0.90 1.03 -0.94 -0.31 0.00 0.00 175.10 174.13 1v3s s SER 66 N -2.76 5.97 0.20 4.85 1.04 -1.26 -1.52 113.70 120.23 1v3s s SER 66 Ca 0.05 1.27 -0.13 0.00 0.48 0.00 0.00 55.95 57.62 1v3s s SER 66 Cb 0.05 -2.26 0.25 0.00 0.10 0.00 0.00 66.02 64.16 1v3s s SER 66 CO -0.08 -1.00 1.66 -0.33 0.98 0.00 0.00 173.24 174.47 1v3s h GLU 67 N -0.37 0.07 -0.02 4.02 4.39 -1.91 -0.64 114.58 120.11 1v3s h GLU 67 Ca -0.45 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.26 1v3s h GLU 67 Cb 1.21 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1v3s h GLU 67 CO 0.62 0.04 0.13 -1.35 -1.16 0.00 0.00 179.01 177.30 1v3s h PRO 68 N 0.07 0.00 -0.14 2.33 0.11 -1.93 -2.04 132.00 130.40 1v3s h PRO 68 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1v3s h PRO 68 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1v3s h PRO 68 CO -0.54 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.44 1v3s n PHE 69 N -3.11 0.16 0.42 0.65 3.01 -0.25 -4.53 117.46 113.81 1v3s n PHE 69 Ca -0.02 -0.08 -0.17 0.00 1.01 0.00 0.00 57.45 58.18 1v3s n PHE 69 Cb 0.20 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.58 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 4.26 0.08 -0.22 -4.37 2.07 -1.32 -2.15 116.25 114.59 1v3s h VAL 70 Ca 0.00 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1v3s h VAL 70 Cb 0.92 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1v3s h VAL 70 CO 0.00 0.01 -0.15 0.11 0.02 0.00 0.00 177.57 177.56 1v3s h LYS 71 N -1.23 -0.14 -0.80 1.57 1.57 -1.79 -0.14 116.57 115.60 1v3s h LYS 71 Ca -0.11 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1v3s h LYS 71 Cb 0.84 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.12 1v3s h LYS 71 CO 0.18 -0.09 0.49 -1.35 -0.57 0.00 0.00 179.45 178.11 1v3s h PRO 72 N -0.14 0.88 -0.11 3.15 0.11 -1.81 0.20 132.00 134.27 1v3s h PRO 72 Ca 0.12 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1v3s h PRO 72 Cb 0.33 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 1v3s h PRO 72 CO -0.31 0.58 0.00 1.15 -0.21 0.00 0.00 178.00 179.22 1v3s h THR 73 N 0.91 1.25 -0.39 -1.15 2.02 -0.92 -0.19 112.91 114.44 1v3s h THR 73 Ca 0.34 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1v3s h THR 73 Cb 0.14 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1v3s h THR 73 CO -0.16 0.23 0.24 0.58 0.37 0.00 0.00 175.52 176.77 1v3s h VAL 74 N -0.07 1.13 -0.73 3.16 2.07 -0.76 -2.21 116.25 118.84 1v3s h VAL 74 Ca 0.03 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1v3s h VAL 74 Cb 0.35 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1v3s h VAL 74 CO 0.01 0.13 0.48 -0.08 0.02 0.00 0.00 177.57 178.12 1v3s h GLU 75 N 0.51 0.93 -0.88 1.57 4.57 -0.52 -0.39 114.58 120.37 1v3s h GLU 75 Ca 0.14 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1v3s h GLU 75 Cb -0.00 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.34 1v3s h GLU 75 CO -0.03 0.62 0.51 0.00 -1.18 0.00 0.00 179.01 178.93 1v3s h ALA 76 N 1.28 1.13 -0.18 2.92 0.00 -0.70 -2.18 119.26 121.53 1v3s h ALA 76 Ca 0.28 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1v3s h ALA 76 Cb -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.37 1v3s h ALA 76 CO -0.08 0.62 -0.39 0.82 0.00 0.00 0.00 179.25 180.22 1v3s h ILE 77 N 1.23 1.34 -0.13 0.00 2.04 -0.96 -2.29 117.51 118.74 1v3s h ILE 77 Ca 0.31 -1.63 0.02 0.00 1.00 0.00 0.00 64.86 64.57 1v3s h ILE 77 Cb -0.01 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1v3s h ILE 77 CO -0.05 0.50 0.09 -0.07 0.00 0.00 0.00 178.15 178.62 1v3s h LEU 78 N 0.25 0.07 0.00 1.44 3.38 -0.90 -0.65 115.31 118.90 1v3s h LEU 78 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1v3s h LEU 78 Cb 0.99 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1v3s h LEU 78 CO 0.09 0.05 -0.13 0.11 0.09 0.00 0.00 178.44 178.64 1v3s h LYS 79 N 0.08 0.00 -0.08 1.13 1.57 -1.35 -3.34 116.57 114.58 1v3s h LYS 79 Ca 0.06 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 1v3s h LYS 79 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1v3s h LYS 79 CO -0.01 0.97 -0.71 0.00 -0.57 0.00 0.00 179.45 179.13 1v3s h ALA 80 N -0.08 0.63 -0.00 3.86 0.00 -1.26 -3.32 119.26 119.08 1v3s h ALA 80 Ca -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1v3s h ALA 80 Cb 1.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1v3s h ALA 80 CO -0.02 0.76 -0.30 0.00 0.00 0.00 0.00 179.25 179.69 1v3s n ALA 81 N -2.50 3.12 -1.77 0.00 0.00 -0.27 -4.62 120.51 114.46 1v3s n ALA 81 Ca -0.04 -0.31 -0.38 0.00 0.00 0.00 0.00 53.44 52.72 1v3s n ALA 81 Cb 0.70 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.79 4.33 0.00 0.00 3.52 -1.25 -4.82 118.95 117.94 1v3s s ARG 82 Ca 0.18 1.57 0.00 0.00 -0.13 0.00 0.00 55.73 57.35 1v3s s ARG 82 Cb 0.19 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 1v3s s ARG 82 CO 0.59 -0.01 0.00 0.25 -0.81 0.00 0.00 175.30 175.33 1v3s n THR 83 N 0.33 0.00 -0.73 4.11 -2.24 -1.26 -5.02 114.28 109.47 1v3s n THR 83 Ca 0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1v3s n THR 83 Cb 0.48 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.13 0.82 3.73 3.38 0.00 -1.26 -5.04 105.19 106.96 1v3s n GLY 84 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1v3s n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v3s s GLU 85 N -0.27 2.64 0.34 1.61 0.41 -1.26 -5.08 118.70 117.09 1v3s s GLU 85 Ca 0.00 -1.08 -0.29 0.00 -0.41 0.00 0.00 54.97 53.19 1v3s s GLU 85 Cb 0.00 -2.45 -0.11 0.00 -1.78 0.00 0.00 34.13 29.78 1v3s s GLU 85 CO 0.00 0.44 1.52 0.28 -0.49 0.00 0.00 175.26 177.00 1v3s n VAL 86 N -0.54 1.60 0.00 2.63 0.31 -1.26 -2.76 118.33 118.30 1v3s n VAL 86 Ca -0.08 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1v3s n VAL 86 Cb 0.56 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 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 1.17 0.85 0.31 2.92 0.00 -1.26 -4.99 105.19 104.18 1v3s n GLY 87 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 0.21 -5.00 1.61 5.19 -1.86 -3.41 116.42 113.15 1v3s h ASP 88 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1v3s h ASP 88 Cb 0.00 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1v3s h ASP 88 CO 0.00 0.14 0.00 0.61 -3.12 0.00 0.00 179.24 176.87 1v3s n GLY 89 N -1.53 -1.58 3.21 2.75 0.00 -1.26 -4.30 105.19 102.48 1v3s n GLY 89 Ca 0.03 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.11 1.01 -0.12 1.61 1.02 -1.14 -4.99 119.74 117.04 1v3s s LYS 90 Ca 0.00 -1.37 0.01 0.00 0.02 0.00 0.00 55.97 54.63 1v3s s LYS 90 Cb 0.00 0.29 0.02 0.00 -0.52 0.00 0.00 37.83 37.61 1v3s s LYS 90 CO 0.00 -0.32 -0.13 0.42 -0.92 0.00 0.00 175.35 174.40 1v3s s ILE 91 N -4.03 1.41 -0.18 2.17 1.01 -1.26 -1.38 121.20 118.95 1v3s s ILE 91 Ca 0.23 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 1v3s s ILE 91 Cb 0.06 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 1v3s s ILE 91 CO 0.02 0.43 -0.04 -0.36 0.00 0.00 0.00 174.94 174.98 1v3s s PHE 92 N 1.25 2.98 -0.39 3.97 0.40 0.13 -4.97 117.98 121.36 1v3s s PHE 92 Ca -0.01 -0.53 -0.12 0.00 -0.60 0.00 0.00 56.93 55.67 1v3s s PHE 92 Cb -0.14 -2.01 0.03 0.00 0.51 0.00 0.00 43.02 41.42 1v3s s PHE 92 CO -0.05 -0.23 0.23 0.08 0.70 0.00 0.00 175.22 175.96 1v3s s VAL 93 N 0.78 4.68 -0.13 -0.44 1.01 -1.26 -0.22 120.40 124.81 1v3s s VAL 93 Ca -0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1v3s s VAL 93 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1v3s s VAL 93 CO 0.02 -0.29 0.12 -0.76 0.00 0.00 0.00 175.10 174.18 1v3s s LEU 94 N 1.56 4.25 0.35 3.92 1.43 0.71 -4.92 118.68 125.97 1v3s s LEU 94 Ca 0.02 0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 53.24 1v3s s LEU 94 Cb -0.20 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 43.89 1v3s s LEU 94 CO 0.07 0.37 1.17 -2.16 0.23 0.00 0.00 176.35 176.03 1v3s s PRO 95 N -0.78 4.30 -0.08 1.29 0.04 -1.26 0.27 135.00 138.78 1v3s s PRO 95 Ca 0.13 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.11 1v3s s PRO 95 Cb -0.12 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1v3s s PRO 95 CO 0.03 -0.12 -0.19 0.08 0.04 0.00 0.00 177.00 176.83 1v3s s VAL 96 N -1.29 1.66 0.03 -0.36 1.01 -1.12 -4.74 120.40 115.59 1v3s s VAL 96 Ca 0.52 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1v3s s VAL 96 Cb -0.33 -1.45 -0.29 0.00 0.00 0.00 0.00 36.38 34.31 1v3s s VAL 96 CO 0.42 0.47 1.07 -0.08 0.00 0.00 0.00 175.10 176.98 1v3s h GLU 97 N 6.70 0.56 -2.30 2.72 4.81 -1.95 -3.43 114.58 121.68 1v3s h GLU 97 Ca -0.26 -0.75 0.01 0.00 -0.13 0.00 0.00 59.36 58.23 1v3s h GLU 97 Cb 1.21 0.25 -0.17 0.00 0.63 0.00 0.00 28.75 30.67 1v3s h GLU 97 CO 0.47 1.33 0.31 0.21 -0.73 0.00 0.00 179.01 180.61 1v3s s LYS 98 N -2.92 1.01 -0.01 1.92 2.20 -1.26 -4.68 119.74 116.00 1v3s s LYS 98 Ca -0.10 -0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.44 1v3s s LYS 98 Cb 0.05 0.47 -0.00 0.00 -1.51 0.00 0.00 37.83 36.83 1v3s s LYS 98 CO 0.91 -0.39 -0.10 0.08 -0.36 0.00 0.00 175.35 175.49 1v3s s VAL 99 N -2.37 0.80 -0.05 4.02 1.01 0.06 -4.97 120.40 118.90 1v3s s VAL 99 Ca -0.03 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1v3s s VAL 99 Cb -0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1v3s s VAL 99 CO -0.02 0.23 -0.24 -0.31 0.00 0.00 0.00 175.10 174.77 1v3s s TYR 100 N -0.11 2.28 -0.27 5.22 1.51 -1.26 -0.42 117.35 124.30 1v3s s TYR 100 Ca 0.02 -0.65 -0.15 0.00 -1.01 0.00 0.00 57.07 55.28 1v3s s TYR 100 Cb -0.05 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1v3s s TYR 100 CO -0.00 -0.19 0.37 0.50 -1.11 0.00 0.00 175.55 175.12 1v3s s ARG 101 N -0.18 4.02 0.15 -0.62 3.52 0.30 -4.98 118.95 121.16 1v3s s ARG 101 Ca -0.02 0.04 -0.15 0.00 -0.13 0.00 0.00 55.73 55.47 1v3s s ARG 101 Cb -0.13 -3.65 0.02 0.00 -1.56 0.00 0.00 34.95 29.63 1v3s s ARG 101 CO 0.03 -0.27 1.76 0.82 -0.81 0.00 0.00 175.30 176.83 1v3s h ILE 102 N 5.38 1.15 -0.36 4.11 2.04 -1.95 0.51 117.51 128.40 1v3s h ILE 102 Ca -0.32 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 1v3s h ILE 102 Cb 1.16 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1v3s h ILE 102 CO 0.64 0.16 -0.03 -0.09 0.00 0.00 0.00 178.15 178.84 1v3s h ARG 103 N 0.58 0.65 0.00 2.37 2.43 -1.98 -3.28 114.38 115.15 1v3s h ARG 103 Ca 0.16 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1v3s h ARG 103 Cb 0.04 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1v3s h ARG 103 CO -0.03 0.78 -1.16 0.25 -1.51 0.00 0.00 179.97 178.30 1v3s n THR 104 N -4.46 0.15 -0.99 0.20 -2.24 -1.22 -4.96 114.28 100.75 1v3s n THR 104 Ca -0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1v3s n THR 104 Cb 0.30 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.36 0.32 3.76 3.38 0.00 0.18 -4.98 105.19 109.20 1v3s n GLY 105 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.77 4.67 -0.06 1.61 2.02 -1.21 -4.76 118.70 120.20 1v3s s GLU 106 Ca 0.00 1.72 0.06 0.00 0.02 0.00 0.00 54.97 56.77 1v3s s GLU 106 Cb 0.00 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 1v3s s GLU 106 CO 0.00 0.27 -0.24 -1.83 0.02 0.00 0.00 175.26 173.48 1v3s s GLU 107 N -1.44 2.54 0.05 1.61 -1.05 -1.26 -0.54 118.70 118.62 1v3s s GLU 107 Ca 0.44 -0.89 0.09 0.00 -0.15 0.00 0.00 54.97 54.46 1v3s s GLU 107 Cb -0.30 -2.18 -0.03 0.00 -0.44 0.00 0.00 34.13 31.18 1v3s s GLU 107 CO 0.38 0.40 -0.25 -0.51 0.95 0.00 0.00 175.26 176.23 1v3s s ASP 108 N -0.20 3.27 0.00 0.83 1.01 0.44 -4.95 116.67 117.07 1v3s s ASP 108 Ca -0.02 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 52.67 1v3s s ASP 108 Cb -0.13 -0.34 0.00 0.00 1.01 0.00 0.00 42.92 43.46 1v3s s ASP 108 CO 0.03 0.26 0.00 -0.62 0.21 0.00 0.00 175.17 175.05 1v3s n GLU 109 N 1.72 3.78 0.00 8.23 1.02 -1.26 -0.76 120.64 133.36 1v3s n GLU 109 Ca -0.17 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.02 1v3s n GLU 109 Cb 0.52 -0.40 0.26 0.00 -0.02 0.00 0.00 31.44 31.80 1v3s n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31