#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1svt s ASN 2 N 0.00 7.53 1.00 7.83 4.22 -1.26 -4.76 114.94 129.50 1svt s ASN 2 Ca 0.00 1.99 -0.15 0.00 -2.14 0.00 0.00 52.86 52.57 1svt s ASN 2 Cb 0.00 -2.61 0.19 0.00 1.28 0.00 0.00 41.25 40.11 1svt s ASN 2 CO 0.00 0.07 1.17 0.27 -2.04 0.00 0.00 177.10 176.56 1svt s ILE 3 N -1.24 1.90 -0.33 0.54 -5.25 -1.26 -5.09 121.20 110.47 1svt s ILE 3 Ca 0.43 0.00 0.03 0.00 -0.99 0.00 0.00 60.65 60.12 1svt s ILE 3 Cb -0.26 -2.72 0.16 0.00 2.95 0.00 0.00 42.46 42.58 1svt s ILE 3 CO 0.32 0.00 0.40 -0.60 -1.79 0.00 0.00 174.94 173.28 1svt s ARG 4 N -5.42 0.52 0.42 0.37 6.06 -1.26 -5.01 118.95 114.64 1svt s ARG 4 Ca 0.68 -0.30 -0.25 0.00 -2.50 0.00 0.00 55.73 53.36 1svt s ARG 4 Cb -0.12 -0.47 -0.08 0.00 0.06 0.00 0.00 34.95 34.35 1svt s ARG 4 CO 0.54 -1.11 1.20 -1.25 -2.50 0.00 0.00 175.30 172.18 1svt s PRO 5 N 2.05 3.92 -1.01 5.12 0.04 -1.26 -4.95 135.00 138.92 1svt s PRO 5 Ca 0.13 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 1svt s PRO 5 Cb -0.13 -2.60 0.25 0.00 0.04 0.00 0.00 34.50 32.06 1svt s PRO 5 CO -0.19 -0.44 1.00 -1.17 0.04 0.00 0.00 177.00 176.24 1svt s LEU 6 N -2.67 6.42 0.00 -3.56 1.98 -1.26 -4.00 118.68 115.59 1svt s LEU 6 Ca 0.59 -3.21 0.00 0.00 -2.89 0.00 0.00 54.13 48.62 1svt s LEU 6 Cb -0.32 -2.22 0.00 0.00 0.66 0.00 0.00 46.19 44.31 1svt s LEU 6 CO 0.39 -0.43 0.00 0.00 -1.89 0.00 0.00 176.35 174.43 1svt n HIS 7 N 3.37 0.00 0.00 5.38 1.44 -1.26 -4.10 115.22 120.05 1svt n HIS 7 Ca 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 1svt n HIS 7 Cb 0.42 -0.49 0.00 0.00 0.12 0.00 0.00 29.99 30.04 1svt n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1svt n ASP 8 N 0.72 0.00 -4.83 4.39 2.03 -1.16 -4.79 116.55 112.92 1svt n ASP 8 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 1svt n ASP 8 Cb 0.00 -0.01 -0.06 0.00 -0.72 0.00 0.00 41.12 40.33 1svt n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1svt s ARG 9 N 0.00 4.05 -0.01 -0.67 1.81 -1.26 -2.35 118.95 120.52 1svt s ARG 9 Ca 0.00 0.56 0.08 0.00 -1.72 0.00 0.00 55.73 54.65 1svt s ARG 9 Cb 0.00 -3.20 -0.02 0.00 -0.45 0.00 0.00 34.95 31.27 1svt s ARG 9 CO 0.00 0.65 -0.26 0.08 -0.68 0.00 0.00 175.30 175.10 1svt s VAL 10 N -1.13 2.10 -0.24 3.52 1.01 0.98 -2.31 120.40 124.33 1svt s VAL 10 Ca 0.27 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1svt s VAL 10 Cb -0.18 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1svt s VAL 10 CO 0.16 0.55 0.04 -0.63 0.00 0.00 0.00 175.10 175.22 1svt s ILE 11 N -0.64 3.99 0.12 2.22 1.01 -0.71 -2.43 121.20 124.76 1svt s ILE 11 Ca 0.10 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1svt s ILE 11 Cb -0.10 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1svt s ILE 11 CO -0.01 0.35 -0.17 0.68 0.00 0.00 0.00 174.94 175.79 1svt s VAL 12 N 1.56 1.50 -0.19 2.92 -7.23 -0.72 -0.29 120.40 117.96 1svt s VAL 12 Ca 0.06 -1.64 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1svt s VAL 12 Cb -0.15 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 1svt s VAL 12 CO 0.01 -0.26 -0.09 -1.59 -0.31 0.00 0.00 175.10 172.86 1svt s LYS 13 N -2.32 3.35 0.96 4.82 -2.85 -0.13 -0.62 119.74 122.95 1svt s LYS 13 Ca 0.08 -0.66 -0.13 0.00 -1.00 0.00 0.00 55.97 54.25 1svt s LYS 13 Cb -0.07 -2.84 0.03 0.00 -2.06 0.00 0.00 37.83 32.88 1svt s LYS 13 CO 0.04 -0.06 0.33 -2.13 0.10 0.00 0.00 175.35 173.64 1svt n ARG 14 N 4.34 -0.32 0.00 1.78 0.63 -1.26 -1.55 116.66 120.28 1svt n ARG 14 Ca -0.18 -0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 1svt n ARG 14 Cb 0.51 -1.81 0.00 0.00 0.45 0.00 0.00 32.46 31.61 1svt n ARG 14 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1svt n LYS 15 N -1.51 0.69 -3.37 -0.14 5.02 -0.92 -4.77 118.16 113.16 1svt n LYS 15 Ca 0.06 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.97 1svt n LYS 15 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.48 1svt n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1svt s GLU 16 N 3.72 4.29 -0.89 1.97 0.41 -1.26 -4.98 118.70 121.96 1svt s GLU 16 Ca 0.00 0.33 -0.26 0.00 -0.41 0.00 0.00 54.97 54.63 1svt s GLU 16 Cb 0.00 -3.46 -0.17 0.00 -1.78 0.00 0.00 34.13 28.72 1svt s GLU 16 CO 0.00 0.12 2.31 0.28 -0.49 0.00 0.00 175.26 177.49 1svt n VAL 17 N 3.81 0.00 -3.38 2.63 0.31 -1.26 -3.64 118.33 116.80 1svt n VAL 17 Ca -0.08 -0.33 -0.15 0.00 -0.01 0.00 0.00 64.34 63.77 1svt n VAL 17 Cb 0.51 -1.97 0.01 0.00 -0.91 0.00 0.00 33.84 31.48 1svt n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1svt n GLU 18 N 8.54 -1.60 -1.32 5.55 1.02 -1.26 -4.70 120.64 126.87 1svt n GLU 18 Ca 0.45 1.27 -0.56 0.00 -0.02 0.00 0.00 57.16 58.30 1svt n GLU 18 Cb 0.44 -3.95 -0.11 0.00 -0.02 0.00 0.00 31.44 27.80 1svt n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1svt n THR 19 N -1.76 0.05 -1.54 2.62 -1.04 -1.24 -4.54 114.28 106.84 1svt n THR 19 Ca -0.12 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.05 61.66 1svt n THR 19 Cb 0.59 -0.84 -0.10 0.00 -1.82 0.00 0.00 70.33 68.17 1svt n THR 19 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1svt n LYS 20 N 7.78 0.41 0.00 -2.82 4.01 -1.26 -3.72 118.16 122.56 1svt n LYS 20 Ca 0.52 -0.80 0.00 0.00 -0.51 0.00 0.00 58.31 57.52 1svt n LYS 20 Cb 0.04 -3.27 0.00 0.00 -0.51 0.00 0.00 35.03 31.30 1svt n LYS 20 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1svt n SER 21 N 16.64 0.00 -4.62 4.39 3.41 -1.26 -4.71 113.62 127.47 1svt n SER 21 Ca 0.49 -0.03 -0.60 0.00 -0.26 0.00 0.00 58.87 58.46 1svt n SER 21 Cb 0.39 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.26 1svt n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1svt n ALA 22 N 0.00 -2.10 0.00 7.33 0.00 -1.24 -0.69 120.51 123.82 1svt n ALA 22 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1svt n ALA 22 Cb 0.01 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1svt n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1svt n GLY 23 N 2.76 3.04 0.00 0.00 0.00 -1.26 -4.60 105.19 105.12 1svt n GLY 23 Ca 0.24 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1svt n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1svt n GLY 24 N 0.00 -1.14 0.15 -0.02 0.00 0.14 -4.93 105.19 99.38 1svt n GLY 24 Ca 0.00 0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.49 1svt n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1svt h ILE 25 N 0.00 0.58 -3.17 -0.61 2.04 -1.89 -3.46 117.51 111.01 1svt h ILE 25 Ca 0.00 -1.86 -0.56 0.00 1.00 0.00 0.00 64.86 63.44 1svt h ILE 25 Cb 0.00 2.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1svt h ILE 25 CO 0.00 0.33 0.64 -0.69 0.00 0.00 0.00 178.15 178.44 1svt s VAL 26 N -3.03 4.54 -0.85 1.67 1.01 -1.26 -4.97 120.40 117.50 1svt s VAL 26 Ca 0.03 1.83 -0.23 0.00 0.00 0.00 0.00 61.98 63.62 1svt s VAL 26 Cb 0.07 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.35 1svt s VAL 26 CO 0.74 -0.01 1.21 -0.22 0.00 0.00 0.00 175.10 176.83 1svt s LEU 27 N 2.19 4.05 -0.28 3.92 0.20 -1.26 -3.68 118.68 123.83 1svt s LEU 27 Ca 0.51 -1.30 -0.28 0.00 0.69 0.00 0.00 54.13 53.76 1svt s LEU 27 Cb -0.21 -2.49 -0.05 0.00 -0.43 0.00 0.00 46.19 43.02 1svt s LEU 27 CO 0.19 -1.44 2.17 0.28 -0.29 0.00 0.00 176.35 177.26 1svt s THR 28 N 4.31 3.09 0.54 3.68 -1.32 -1.26 -4.90 115.64 119.78 1svt s THR 28 Ca 0.35 0.08 -0.21 0.00 -1.21 0.00 0.00 61.69 60.70 1svt s THR 28 Cb -0.07 -3.13 -0.05 0.00 -1.51 0.00 0.00 72.50 67.75 1svt s THR 28 CO -0.00 -0.09 1.29 -0.83 -2.21 0.00 0.00 174.62 172.79 1svt s GLY 29 N 8.43 2.84 -0.51 6.08 0.00 -1.26 -4.76 107.32 118.15 1svt s GLY 29 Ca 0.96 1.20 -0.32 0.00 0.00 0.00 0.00 44.72 46.57 1svt s GLY 29 CO 0.33 1.68 2.35 -1.26 0.00 0.00 0.00 173.10 176.21 1svt n SER 30 N -1.08 1.83 -2.15 1.64 2.88 -1.26 -4.82 113.62 110.66 1svt n SER 30 Ca 0.11 0.13 -0.20 0.00 -1.33 0.00 0.00 58.87 57.57 1svt n SER 30 Cb 0.46 -1.28 0.20 0.00 -0.75 0.00 0.00 64.21 62.85 1svt n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1svt n ALA 31 N 11.56 5.38 -2.83 -1.46 0.00 -1.26 -4.93 120.51 126.96 1svt n ALA 31 Ca 0.45 -2.81 -0.08 0.00 0.00 0.00 0.00 53.44 51.00 1svt n ALA 31 Cb 0.27 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.35 1svt n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1svt n ALA 32 N -0.97 -3.00 -3.53 0.00 0.00 -1.26 -5.09 120.51 106.65 1svt n ALA 32 Ca 0.56 1.13 -0.08 0.00 0.00 0.00 0.00 53.44 55.05 1svt n ALA 32 Cb 1.60 -3.67 -0.02 0.00 0.00 0.00 0.00 19.45 17.36 1svt n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1svt s ALA 33 N -2.59 -1.80 0.49 0.00 0.00 -1.26 -5.20 121.76 111.40 1svt s ALA 33 Ca 0.24 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1svt s ALA 33 Cb -0.07 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 1svt s ALA 33 CO 0.75 -0.74 0.03 0.21 0.00 0.00 0.00 175.76 176.02 1svt s LYS 34 N -3.15 2.14 -0.11 0.00 2.47 -1.26 -4.71 119.74 115.12 1svt s LYS 34 Ca 0.06 -2.36 -0.10 0.00 -1.56 0.00 0.00 55.97 52.01 1svt s LYS 34 Cb -0.01 -1.31 -0.05 0.00 -1.46 0.00 0.00 37.83 35.00 1svt s LYS 34 CO -0.08 -0.40 0.21 0.45 0.16 0.00 0.00 175.35 175.69 1svt s SER 35 N -3.82 6.45 -0.00 1.43 0.15 -1.26 -4.65 113.70 112.00 1svt s SER 35 Ca 0.09 0.54 0.22 0.00 0.70 0.00 0.00 55.95 57.50 1svt s SER 35 Cb 0.02 -2.12 -0.19 0.00 -1.71 0.00 0.00 66.02 62.02 1svt s SER 35 CO 0.05 0.33 0.87 0.35 1.20 0.00 0.00 173.24 176.04 1svt n THR 36 N 2.31 0.01 -2.95 6.45 -2.24 -1.26 -4.88 114.28 111.72 1svt n THR 36 Ca -0.17 -0.10 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 1svt n THR 36 Cb 0.54 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 1svt n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1svt s ARG 37 N -3.10 3.72 -0.02 -0.78 3.00 -1.26 -2.34 118.95 118.16 1svt s ARG 37 Ca 0.05 0.32 -0.30 0.00 0.00 0.00 0.00 55.73 55.81 1svt s ARG 37 Cb 0.16 -2.45 0.11 0.00 0.00 0.00 0.00 34.95 32.76 1svt s ARG 37 CO 0.86 0.00 1.03 0.20 0.00 0.00 0.00 175.30 177.39 1svt s GLY 38 N -3.27 -0.37 -0.07 -3.53 0.00 -0.59 -2.16 107.32 97.32 1svt s GLY 38 Ca 0.49 0.95 0.01 0.00 0.00 0.00 0.00 44.72 46.17 1svt s GLY 38 CO 0.33 0.29 -0.09 1.85 0.00 0.00 0.00 173.10 175.48 1svt s GLU 39 N -2.90 2.74 0.38 2.90 2.12 -0.59 -0.43 118.70 122.92 1svt s GLU 39 Ca 0.08 -0.60 -0.25 0.00 0.36 0.00 0.00 54.97 54.56 1svt s GLU 39 Cb -0.00 -2.54 -0.09 0.00 0.26 0.00 0.00 34.13 31.76 1svt s GLU 39 CO -0.05 0.61 1.09 0.08 -0.54 0.00 0.00 175.26 176.45 1svt s VAL 40 N -0.68 3.51 0.00 3.70 1.01 -0.87 -0.96 120.40 126.12 1svt s VAL 40 Ca 0.10 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1svt s VAL 40 Cb -0.11 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1svt s VAL 40 CO 0.01 0.09 0.00 0.18 0.00 0.00 0.00 175.10 175.38 1svt n LEU 41 N 0.17 2.54 -3.72 3.92 4.77 0.60 -3.22 117.00 122.06 1svt n LEU 41 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 1svt n LEU 41 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1svt n LEU 41 CO 0.48 0.42 0.08 0.00 -1.33 0.00 0.00 177.39 177.04 1svt s ALA 42 N -1.91 -0.84 -0.01 -1.18 0.00 -1.23 -4.81 121.76 111.78 1svt s ALA 42 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1svt s ALA 42 Cb 0.00 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1svt s ALA 42 CO 0.00 -0.40 0.01 0.08 0.00 0.00 0.00 175.76 175.45 1svt s VAL 43 N -2.27 0.00 1.05 0.00 1.01 -1.26 -1.73 120.40 117.20 1svt s VAL 43 Ca -0.07 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 1svt s VAL 43 Cb -0.02 -0.09 0.23 0.00 0.00 0.00 0.00 36.38 36.51 1svt s VAL 43 CO -0.01 0.07 1.24 -0.83 0.00 0.00 0.00 175.10 175.56 1svt s GLY 44 N 0.67 1.70 0.00 4.51 0.00 -0.98 -4.78 107.32 108.44 1svt s GLY 44 Ca -0.06 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.57 1svt s GLY 44 CO -0.02 -0.28 1.02 3.43 0.00 0.00 0.00 173.10 177.25 1svt h ASN 45 N -1.98 -0.05 0.00 1.64 2.35 -1.89 -3.42 115.58 112.23 1svt h ASN 45 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1svt h ASN 45 Cb 1.26 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1svt h ASN 45 CO 0.38 -0.03 0.00 0.61 -1.65 0.00 0.00 177.43 176.74 1svt n GLY 46 N -1.02 -1.40 3.74 2.83 0.00 -1.26 -3.50 105.19 104.58 1svt n GLY 46 Ca -0.00 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1svt n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1svt s ARG 47 N -1.37 4.67 0.02 1.61 3.52 -1.18 -3.01 118.95 123.21 1svt s ARG 47 Ca 0.00 1.63 -0.07 0.00 -0.13 0.00 0.00 55.73 57.15 1svt s ARG 47 Cb 0.00 -3.29 -0.30 0.00 -1.56 0.00 0.00 34.95 29.80 1svt s ARG 47 CO 0.00 0.20 0.92 0.82 -0.81 0.00 0.00 175.30 176.43 1svt h ILE 48 N 3.62 1.22 -1.07 4.11 2.04 -1.93 -3.25 117.51 122.24 1svt h ILE 48 Ca -0.44 -2.79 -0.42 0.00 1.00 0.00 0.00 64.86 62.21 1svt h ILE 48 Cb 1.21 2.86 0.10 0.00 -0.74 0.00 0.00 36.82 40.26 1svt h ILE 48 CO 0.71 0.84 -0.61 0.18 0.00 0.00 0.00 178.15 179.27 1svt n LEU 49 N -3.55 -1.81 0.00 1.44 4.77 -1.26 -3.07 117.00 113.53 1svt n LEU 49 Ca -0.16 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1svt n LEU 49 Cb 1.06 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1svt n LEU 49 CO 0.54 -2.73 0.00 1.21 -1.33 0.00 0.00 177.39 175.08 1svt n GLU 50 N 0.87 0.00 0.00 3.23 4.07 -1.26 -4.65 120.64 122.90 1svt n GLU 50 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1svt n GLU 50 Cb 0.26 -2.37 0.00 0.00 -0.06 0.00 0.00 31.44 29.27 1svt n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1svt n ASN 51 N 0.00 0.00 0.00 4.31 5.15 -1.17 -4.90 115.26 118.65 1svt n ASN 51 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1svt n ASN 51 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1svt n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1svt n GLY 52 N 0.00 0.00 1.90 8.20 0.00 -1.26 -4.60 105.19 109.42 1svt n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1svt n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1svt n GLU 53 N 0.00 0.00 -3.47 1.61 4.71 -1.26 -4.58 120.64 117.64 1svt n GLU 53 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1svt n GLU 53 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.36 1svt n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1svt s VAL 54 N 0.00 -0.76 -0.09 2.62 1.01 -1.26 -4.73 120.40 117.19 1svt s VAL 54 Ca 0.00 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.76 1svt s VAL 54 Cb 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1svt s VAL 54 CO 0.00 -0.01 0.82 -1.59 0.00 0.00 0.00 175.10 174.32 1svt s LYS 55 N 2.68 4.41 0.98 2.72 0.00 -1.23 -4.87 119.74 124.44 1svt s LYS 55 Ca 0.06 1.07 -0.11 0.00 0.00 0.00 0.00 55.97 56.98 1svt s LYS 55 Cb -0.14 -3.50 0.18 0.00 0.00 0.00 0.00 37.83 34.37 1svt s LYS 55 CO -0.16 -0.13 1.09 -1.25 0.00 0.00 0.00 175.35 174.90 1svt s PRO 56 N 1.42 0.52 0.41 1.78 0.04 -1.26 -3.08 135.00 134.83 1svt s PRO 56 Ca 0.41 1.08 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 1svt s PRO 56 Cb -0.18 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1svt s PRO 56 CO 0.18 -2.83 0.65 -0.51 0.04 0.00 0.00 177.00 174.53 1svt s LEU 57 N -6.66 3.82 0.00 -3.56 1.43 -1.23 -4.89 118.68 107.59 1svt s LEU 57 Ca 0.66 0.56 0.20 0.00 -1.03 0.00 0.00 54.13 54.52 1svt s LEU 57 Cb -0.22 -3.45 0.63 0.00 0.03 0.00 0.00 46.19 43.18 1svt s LEU 57 CO 0.60 -0.47 1.48 0.47 0.23 0.00 0.00 176.35 178.66 1svt n ASP 58 N -1.99 2.00 -4.40 2.29 9.92 -1.26 -4.79 116.55 118.32 1svt n ASP 58 Ca -0.02 -1.80 -0.35 0.00 -0.53 0.00 0.00 54.79 52.08 1svt n ASP 58 Cb 0.56 -0.15 -0.13 0.00 -0.64 0.00 0.00 41.12 40.76 1svt n ASP 58 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1svt s VAL 59 N -1.69 3.84 0.16 2.53 -7.23 -1.26 -5.10 120.40 111.66 1svt s VAL 59 Ca 0.32 -0.34 -0.18 0.00 -1.81 0.00 0.00 61.98 59.98 1svt s VAL 59 Cb 0.18 -2.76 -0.07 0.00 0.56 0.00 0.00 36.38 34.28 1svt s VAL 59 CO 0.26 0.40 0.63 -1.59 -0.31 0.00 0.00 175.10 174.48 1svt s LYS 60 N 1.36 4.15 -0.66 4.82 -2.85 -1.26 -4.95 119.74 120.35 1svt s LYS 60 Ca 0.05 0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 55.42 1svt s LYS 60 Cb -0.15 -2.98 -0.14 0.00 -2.06 0.00 0.00 37.83 32.50 1svt s LYS 60 CO 0.01 0.48 2.47 0.28 0.10 0.00 0.00 175.35 178.69 1svt n VAL 61 N 0.98 0.01 0.00 1.79 0.31 -1.26 -2.74 118.33 117.42 1svt n VAL 61 Ca -0.05 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1svt n VAL 61 Cb 0.51 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1svt n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1svt n GLY 62 N 6.36 1.21 3.82 2.92 0.00 -1.20 -4.97 105.19 113.33 1svt n GLY 62 Ca 0.50 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 1svt n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1svt s ASP 63 N -1.72 6.18 -0.44 1.61 1.01 -1.11 -4.72 116.67 117.49 1svt s ASP 63 Ca 0.00 1.70 -0.20 0.00 0.71 0.00 0.00 52.55 54.77 1svt s ASP 63 Cb 0.00 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.44 1svt s ASP 63 CO 0.00 -0.89 0.59 -0.63 0.21 0.00 0.00 175.17 174.45 1svt s ILE 64 N -2.53 4.90 0.06 0.77 1.01 -1.26 -2.05 121.20 122.11 1svt s ILE 64 Ca 0.61 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 61.27 1svt s ILE 64 Cb -0.13 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1svt s ILE 64 CO 0.34 -0.58 -0.24 0.68 0.00 0.00 0.00 174.94 175.14 1svt s VAL 65 N 2.63 2.35 -0.16 2.92 -7.23 0.43 -0.15 120.40 121.17 1svt s VAL 65 Ca 0.19 -1.42 -0.14 0.00 -1.81 0.00 0.00 61.98 58.80 1svt s VAL 65 Cb -0.15 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 1svt s VAL 65 CO 0.17 0.30 0.30 -0.63 -0.31 0.00 0.00 175.10 174.92 1svt s ILE 66 N -0.90 5.30 0.25 -0.62 1.01 -0.95 -1.54 121.20 123.76 1svt s ILE 66 Ca 0.13 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.38 1svt s ILE 66 Cb -0.10 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 1svt s ILE 66 CO 0.04 0.38 -0.01 0.72 0.00 0.00 0.00 174.94 176.07 1svt s PHE 67 N 0.53 1.70 -0.37 3.97 -0.12 -0.99 -1.28 117.98 121.43 1svt s PHE 67 Ca 0.17 -0.87 -0.15 0.00 -0.05 0.00 0.00 56.93 56.02 1svt s PHE 67 Cb -0.13 -1.00 0.00 0.00 -0.63 0.00 0.00 43.02 41.26 1svt s PHE 67 CO 0.04 0.04 0.36 1.21 -0.05 0.00 0.00 175.22 176.83 1svt s ASN 68 N -3.36 6.16 -0.54 1.98 3.84 -0.55 -4.82 114.94 117.65 1svt s ASN 68 Ca 0.30 -0.46 -0.10 0.00 0.21 0.00 0.00 52.86 52.81 1svt s ASN 68 Cb 0.06 -2.19 -0.10 0.00 -0.55 0.00 0.00 41.25 38.47 1svt s ASN 68 CO 0.10 -0.41 1.72 -0.67 -2.79 0.00 0.00 177.10 175.05 1svt n ASP 69 N 5.39 2.69 -3.01 -4.21 -0.08 -1.26 -4.87 116.55 111.19 1svt n ASP 69 Ca -0.09 -2.33 0.00 0.00 -1.51 0.00 0.00 54.79 50.86 1svt n ASP 69 Cb 0.49 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 43.07 1svt n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1svt n GLY 70 N 4.12 -0.82 0.15 0.27 0.00 -1.26 -4.96 105.19 102.68 1svt n GLY 70 Ca 0.34 -1.62 -0.18 0.00 0.00 0.00 0.00 46.02 44.56 1svt n GLY 70 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1svt h TYR 71 N -0.04 0.69 0.00 1.61 3.20 -2.04 -3.28 116.97 117.10 1svt h TYR 71 Ca 0.00 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1svt h TYR 71 Cb 0.00 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1svt h TYR 71 CO 0.00 1.19 0.00 0.41 -1.64 0.00 0.00 178.16 178.12 1svt n GLY 72 N 1.05 -0.29 3.63 1.82 0.00 -1.26 -4.61 105.19 105.53 1svt n GLY 72 Ca -0.10 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1svt n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1svt s VAL 73 N -2.29 4.86 0.20 1.61 1.01 -1.24 -4.57 120.40 119.98 1svt s VAL 73 Ca 0.05 1.37 0.07 0.00 0.00 0.00 0.00 61.98 63.47 1svt s VAL 73 Cb 0.03 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1svt s VAL 73 CO 0.06 -0.10 0.04 -0.54 0.00 0.00 0.00 175.10 174.56 1svt s LYS 74 N 2.80 2.49 -0.12 2.72 -0.14 -0.73 -4.94 119.74 121.82 1svt s LYS 74 Ca 0.32 -1.14 -0.01 0.00 -1.36 0.00 0.00 55.97 53.78 1svt s LYS 74 Cb -0.15 -2.37 -0.03 0.00 -1.68 0.00 0.00 37.83 33.60 1svt s LYS 74 CO 0.09 0.43 -0.07 0.45 -0.76 0.00 0.00 175.35 175.49 1svt s SER 75 N -3.20 4.55 0.19 2.83 0.15 -1.26 -1.58 113.70 115.37 1svt s SER 75 Ca 0.29 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.80 1svt s SER 75 Cb -0.09 -1.55 -0.05 0.00 -1.71 0.00 0.00 66.02 62.63 1svt s SER 75 CO 0.20 0.23 0.05 -1.61 1.20 0.00 0.00 173.24 173.31 1svt s GLU 76 N 0.00 1.15 -0.21 5.44 0.41 0.68 -5.00 118.70 121.18 1svt s GLU 76 Ca -0.01 -1.58 0.01 0.00 -0.41 0.00 0.00 54.97 52.98 1svt s GLU 76 Cb -0.14 -0.09 0.05 0.00 -1.78 0.00 0.00 34.13 32.18 1svt s GLU 76 CO 0.03 -0.23 -0.08 0.21 -0.49 0.00 0.00 175.26 174.70 1svt s LYS 77 N -4.00 1.78 -0.14 1.61 2.47 -1.26 -2.05 119.74 118.14 1svt s LYS 77 Ca 0.29 -0.85 -0.00 0.00 -1.56 0.00 0.00 55.97 53.85 1svt s LYS 77 Cb 0.07 -2.42 0.03 0.00 -1.46 0.00 0.00 37.83 34.06 1svt s LYS 77 CO 0.07 -0.49 -0.06 0.42 0.16 0.00 0.00 175.35 175.44 1svt s ILE 78 N 1.43 1.06 -0.37 5.43 1.09 -1.04 -4.70 121.20 124.11 1svt s ILE 78 Ca -0.03 -0.44 0.00 0.00 -1.10 0.00 0.00 60.65 59.08 1svt s ILE 78 Cb -0.17 -1.15 0.00 0.00 -1.06 0.00 0.00 42.46 40.08 1svt s ILE 78 CO -0.07 0.25 0.00 0.47 -0.10 0.00 0.00 174.94 175.49 1svt n ASP 79 N 4.91 -4.74 -0.37 3.58 8.00 -1.26 -0.35 116.55 126.32 1svt n ASP 79 Ca -0.12 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1svt n ASP 79 Cb 0.49 -3.14 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 1svt n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1svt n ASN 80 N -0.36 -1.52 -4.29 -2.24 2.85 -1.26 -5.12 115.26 103.32 1svt n ASN 80 Ca -0.03 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.13 1svt n ASN 80 Cb 0.43 -0.39 -0.16 0.00 1.24 0.00 0.00 39.78 40.90 1svt n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1svt s GLU 81 N -3.89 2.01 -0.54 1.20 8.01 0.53 -5.10 118.70 120.92 1svt s GLU 81 Ca 0.00 -0.90 -0.28 0.00 0.01 0.00 0.00 54.97 53.79 1svt s GLU 81 Cb 0.00 -1.95 0.03 0.00 -4.31 0.00 0.00 34.13 27.89 1svt s GLU 81 CO 0.00 0.53 1.23 -1.21 0.01 0.00 0.00 175.26 175.83 1svt s GLU 82 N -0.62 3.54 0.17 1.61 0.41 -1.26 -2.50 118.70 120.05 1svt s GLU 82 Ca 0.10 0.42 0.07 0.00 -0.41 0.00 0.00 54.97 55.15 1svt s GLU 82 Cb -0.10 -4.00 -0.04 0.00 -1.78 0.00 0.00 34.13 28.21 1svt s GLU 82 CO -0.01 -1.63 -0.15 0.14 -0.49 0.00 0.00 175.26 173.12 1svt s VAL 83 N 5.03 1.61 0.08 2.63 -7.23 -0.87 -4.37 120.40 117.27 1svt s VAL 83 Ca 0.47 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.71 1svt s VAL 83 Cb -0.08 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1svt s VAL 83 CO 0.28 -0.49 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.63 1svt s LEU 84 N -2.91 2.25 -0.10 1.32 1.02 0.21 -0.23 118.68 120.24 1svt s LEU 84 Ca 0.17 -0.61 -0.01 0.00 0.02 0.00 0.00 54.13 53.70 1svt s LEU 84 Cb -0.03 -0.78 0.03 0.00 0.02 0.00 0.00 46.19 45.43 1svt s LEU 84 CO 0.05 0.04 -0.04 -0.63 0.02 0.00 0.00 176.35 175.80 1svt s ILE 85 N -1.08 0.76 0.23 -0.59 1.01 -0.62 -1.75 121.20 119.17 1svt s ILE 85 Ca 0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 1svt s ILE 85 Cb -0.09 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 1svt s ILE 85 CO 0.03 0.28 0.31 0.00 0.00 0.00 0.00 174.94 175.56 1svt s MET 86 N 1.81 1.41 0.52 2.79 0.23 -1.02 -1.78 119.30 123.27 1svt s MET 86 Ca 0.04 -1.48 -0.02 0.00 -1.03 0.00 0.00 55.69 53.20 1svt s MET 86 Cb -0.13 0.37 0.01 0.00 -1.53 0.00 0.00 34.83 33.55 1svt s MET 86 CO -0.07 -0.53 0.78 -1.54 -2.03 0.00 0.00 175.02 171.63 1svt s SER 87 N -3.11 5.66 0.38 -1.18 1.04 -1.26 -0.01 113.70 115.22 1svt s SER 87 Ca 0.31 0.44 0.11 0.00 0.48 0.00 0.00 55.95 57.29 1svt s SER 87 Cb 0.03 -1.53 0.89 0.00 0.10 0.00 0.00 66.02 65.50 1svt s SER 87 CO 0.12 -0.91 1.90 -0.08 0.98 0.00 0.00 173.24 175.25 1svt h GLU 88 N 0.12 0.59 -0.89 4.02 4.81 -1.83 -1.01 114.58 120.38 1svt h GLU 88 Ca -0.45 -0.04 0.21 0.00 -0.13 0.00 0.00 59.36 58.95 1svt h GLU 88 Cb 1.26 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 1svt h GLU 88 CO 0.58 0.39 0.60 0.77 -0.73 0.00 0.00 179.01 180.62 1svt h SER 89 N 0.60 0.33 1.05 1.04 0.02 -1.94 0.19 113.55 114.84 1svt h SER 89 Ca 0.40 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1svt h SER 89 Cb 0.68 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1svt h SER 89 CO -0.16 0.13 -0.13 0.47 -1.14 0.00 0.00 176.83 176.00 1svt n ASP 90 N -4.47 0.36 -4.75 3.07 8.00 -0.39 -4.80 116.55 113.57 1svt n ASP 90 Ca 0.19 0.38 -0.38 0.00 0.71 0.00 0.00 54.79 55.68 1svt n ASP 90 Cb 0.74 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 1svt n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1svt s ILE 91 N -3.04 5.03 -0.15 0.53 1.01 0.66 -1.48 121.20 123.76 1svt s ILE 91 Ca 0.12 1.12 0.06 0.00 0.00 0.00 0.00 60.65 61.94 1svt s ILE 91 Cb 0.16 -3.88 -0.13 0.00 0.01 0.00 0.00 42.46 38.63 1svt s ILE 91 CO 0.59 0.39 -0.07 0.18 0.00 0.00 0.00 174.94 176.03 1svt n LEU 92 N 3.05 1.74 -3.83 2.97 4.77 -0.40 -4.98 117.00 120.32 1svt n LEU 92 Ca -0.07 -0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 55.79 1svt n LEU 92 Cb 0.51 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1svt n LEU 92 CO 0.43 0.59 0.62 0.00 -1.33 0.00 0.00 177.39 177.70 1svt s ALA 93 N -2.32 -1.08 0.07 -1.18 0.00 -1.11 -5.01 121.76 111.12 1svt s ALA 93 Ca -0.16 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.34 1svt s ALA 93 Cb 0.05 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1svt s ALA 93 CO 0.45 -1.02 -0.22 0.42 0.00 0.00 0.00 175.76 175.39 1svt s ILE 94 N -2.43 1.78 -0.81 0.00 1.01 -1.26 -2.24 121.20 117.24 1svt s ILE 94 Ca 0.17 -1.38 -0.14 0.00 0.00 0.00 0.00 60.65 59.31 1svt s ILE 94 Cb -0.04 -1.57 0.22 0.00 0.01 0.00 0.00 42.46 41.07 1svt s ILE 94 CO 0.09 0.13 0.75 -0.69 0.00 0.00 0.00 174.94 175.21 1svt s VAL 95 N -0.94 5.52 0.47 2.92 1.01 0.78 -4.94 120.40 125.23 1svt s VAL 95 Ca 0.08 -2.48 0.03 0.00 0.00 0.00 0.00 61.98 59.61 1svt s VAL 95 Cb -0.09 -4.42 0.01 0.00 0.00 0.00 0.00 36.38 31.88 1svt s VAL 95 CO 0.03 -1.02 0.68 -1.61 0.00 0.00 0.00 175.10 173.18 1svt s GLU 96 N 0.17 2.81 0.00 2.72 2.02 -1.26 -4.59 118.70 120.58 1svt s GLU 96 Ca 0.18 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.38 1svt s GLU 96 Cb -0.11 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1svt s GLU 96 CO -0.08 -0.42 0.00 0.00 0.02 0.00 0.00 175.26 174.78