#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 7.45 1.02 7.83 4.22 -1.26 -4.77 114.94 129.43 1svt s ASN 2 Ca 0.00 1.89 -0.15 0.00 -2.14 0.00 0.00 52.86 52.46 1svt s ASN 2 Cb 0.00 -2.59 0.20 0.00 1.28 0.00 0.00 41.25 40.14 1svt s ASN 2 CO 0.00 0.01 1.16 0.27 -2.04 0.00 0.00 177.10 176.50 1svt s ILE 3 N -1.45 1.88 -0.33 0.54 -5.25 -1.26 -5.10 121.20 110.24 1svt s ILE 3 Ca 0.47 0.00 0.03 0.00 -0.99 0.00 0.00 60.65 60.16 1svt s ILE 3 Cb -0.22 -2.68 0.16 0.00 2.95 0.00 0.00 42.46 42.67 1svt s ILE 3 CO 0.27 0.00 0.42 -0.60 -1.79 0.00 0.00 174.94 173.24 1svt s ARG 4 N -5.39 0.53 0.47 0.37 6.06 -1.26 -5.02 118.95 114.71 1svt s ARG 4 Ca 0.68 -0.24 -0.23 0.00 -2.50 0.00 0.00 55.73 53.44 1svt s ARG 4 Cb -0.12 -0.41 -0.07 0.00 0.06 0.00 0.00 34.95 34.42 1svt s ARG 4 CO 0.55 -1.11 1.18 -1.25 -2.50 0.00 0.00 175.30 172.17 1svt s PRO 5 N 2.10 3.72 -0.94 5.12 0.04 -1.26 -4.95 135.00 138.83 1svt s PRO 5 Ca 0.13 1.80 -0.10 0.00 0.04 0.00 0.00 61.00 62.86 1svt s PRO 5 Cb -0.12 -2.39 0.24 0.00 0.04 0.00 0.00 34.50 32.26 1svt s PRO 5 CO -0.19 -0.59 0.90 -1.17 0.04 0.00 0.00 177.00 175.98 1svt s LEU 6 N -3.06 6.41 0.00 -3.56 1.98 -1.26 -4.07 118.68 115.12 1svt s LEU 6 Ca 0.64 -3.17 0.00 0.00 -2.89 0.00 0.00 54.13 48.71 1svt s LEU 6 Cb -0.29 -2.17 0.00 0.00 0.66 0.00 0.00 46.19 44.39 1svt s LEU 6 CO 0.35 -0.41 0.00 0.00 -1.89 0.00 0.00 176.35 174.40 1svt n HIS 7 N 3.27 0.00 0.00 5.38 1.44 -1.26 -4.09 115.22 119.96 1svt n HIS 7 Ca 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 1svt n HIS 7 Cb 0.42 -0.43 0.00 0.00 0.12 0.00 0.00 29.99 30.10 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 0.69 0.00 -4.82 4.39 2.03 -1.19 -4.78 116.55 112.87 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 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 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 -0.02 4.06 0.00 -0.67 1.81 -1.26 -2.17 118.95 120.69 1svt s ARG 9 Ca 0.00 0.57 0.08 0.00 -1.72 0.00 0.00 55.73 54.66 1svt s ARG 9 Cb 0.00 -3.22 -0.02 0.00 -0.45 0.00 0.00 34.95 31.26 1svt s ARG 9 CO 0.00 0.66 -0.23 0.08 -0.68 0.00 0.00 175.30 175.13 1svt s VAL 10 N -1.11 2.32 -0.25 3.52 1.01 0.11 -2.52 120.40 123.48 1svt s VAL 10 Ca 0.27 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 1svt s VAL 10 Cb -0.18 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1svt s VAL 10 CO 0.16 0.49 0.03 -0.63 0.00 0.00 0.00 175.10 175.16 1svt s ILE 11 N -0.72 3.86 0.13 2.22 1.01 -0.86 -2.36 121.20 124.47 1svt s ILE 11 Ca 0.11 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.41 1svt s ILE 11 Cb -0.10 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1svt s ILE 11 CO 0.01 0.31 -0.16 0.68 0.00 0.00 0.00 174.94 175.78 1svt s VAL 12 N 1.53 1.53 -0.16 2.92 -7.23 -0.76 -0.06 120.40 118.18 1svt s VAL 12 Ca 0.05 -1.73 -0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1svt s VAL 12 Cb -0.15 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 1svt s VAL 12 CO 0.01 -0.32 -0.12 -1.59 -0.31 0.00 0.00 175.10 172.77 1svt s LYS 13 N -2.53 3.33 0.96 4.82 -2.85 -0.02 -0.65 119.74 122.80 1svt s LYS 13 Ca 0.10 -0.69 -0.12 0.00 -1.00 0.00 0.00 55.97 54.25 1svt s LYS 13 Cb -0.06 -2.71 0.09 0.00 -2.06 0.00 0.00 37.83 33.09 1svt s LYS 13 CO 0.04 0.06 0.63 -2.13 0.10 0.00 0.00 175.35 174.05 1svt n ARG 14 N 3.97 -0.55 0.00 1.78 0.63 -1.26 -1.31 116.66 119.91 1svt n ARG 14 Ca -0.18 -0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.63 1svt n ARG 14 Cb 0.52 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.41 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 -2.65 0.97 -3.40 -0.14 5.02 -0.92 -4.76 118.16 112.28 1svt n LYS 15 Ca 0.08 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.99 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 4.11 4.31 -0.89 1.97 0.41 -1.26 -4.96 118.70 122.38 1svt s GLU 16 Ca 0.00 0.31 -0.26 0.00 -0.41 0.00 0.00 54.97 54.61 1svt s GLU 16 Cb 0.00 -3.44 -0.15 0.00 -1.78 0.00 0.00 34.13 28.77 1svt s GLU 16 CO 0.00 0.18 2.27 0.08 -0.49 0.00 0.00 175.26 177.30 1svt s VAL 17 N 0.60 3.09 -0.71 2.63 1.01 -1.26 -3.72 120.40 122.04 1svt s VAL 17 Ca 0.22 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 1svt s VAL 17 Cb -0.14 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1svt s VAL 17 CO 0.08 -0.17 0.64 -0.62 0.00 0.00 0.00 175.10 175.03 1svt n GLU 18 N 8.65 -1.61 -1.32 2.72 1.02 -1.26 -4.70 120.64 124.14 1svt n GLU 18 Ca 0.45 1.23 -0.56 0.00 -0.02 0.00 0.00 57.16 58.26 1svt n GLU 18 Cb 0.45 -3.76 -0.10 0.00 -0.02 0.00 0.00 31.44 28.01 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 -1.78 0.07 -1.53 2.62 -1.04 -1.24 -4.55 114.28 106.82 1svt n THR 19 Ca -0.14 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.05 61.64 1svt n THR 19 Cb 0.61 -0.91 -0.10 0.00 -1.82 0.00 0.00 70.33 68.11 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 7.77 0.37 0.00 -2.82 4.01 -1.26 -3.80 118.16 122.42 1svt n LYS 20 Ca 0.50 -0.90 0.00 0.00 -0.51 0.00 0.00 58.31 57.40 1svt n LYS 20 Cb 0.06 -3.32 0.00 0.00 -0.51 0.00 0.00 35.03 31.25 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 16.90 0.00 -4.60 4.39 3.41 -1.25 -4.71 113.62 127.75 1svt n SER 21 Ca 0.46 -0.10 -0.58 0.00 -0.26 0.00 0.00 58.87 58.39 1svt n SER 21 Cb 0.41 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.87 0.00 7.33 0.00 -1.24 -0.48 120.51 124.26 1svt n ALA 22 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1svt n ALA 22 Cb 0.03 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 2.66 3.01 0.00 0.00 0.00 -1.26 -4.61 105.19 105.00 1svt n GLY 23 Ca 0.22 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.92 0.15 -0.02 0.00 0.37 -4.93 105.19 99.84 1svt n GLY 24 Ca 0.00 0.34 0.04 0.00 0.00 0.00 0.00 46.02 46.39 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 0.71 -3.17 -0.61 2.04 -1.89 -3.46 117.51 111.13 1svt h ILE 25 Ca 0.00 -2.02 -0.55 0.00 1.00 0.00 0.00 64.86 63.28 1svt h ILE 25 Cb 0.00 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 1svt h ILE 25 CO 0.00 0.40 0.63 -0.69 0.00 0.00 0.00 178.15 178.50 1svt s VAL 26 N -3.00 4.50 -0.85 1.67 1.01 -1.26 -4.97 120.40 117.51 1svt s VAL 26 Ca 0.04 1.79 -0.23 0.00 0.00 0.00 0.00 61.98 63.59 1svt s VAL 26 Cb 0.07 -4.15 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1svt s VAL 26 CO 0.74 0.01 1.20 -0.22 0.00 0.00 0.00 175.10 176.83 1svt s LEU 27 N 2.08 4.08 -0.28 3.92 0.20 -1.26 -3.59 118.68 123.83 1svt s LEU 27 Ca 0.52 -1.29 -0.28 0.00 0.69 0.00 0.00 54.13 53.77 1svt s LEU 27 Cb -0.22 -2.48 -0.04 0.00 -0.43 0.00 0.00 46.19 43.02 1svt s LEU 27 CO 0.20 -1.44 2.08 0.28 -0.29 0.00 0.00 176.35 177.18 1svt s THR 28 N 4.27 3.18 0.61 3.68 -1.32 -1.26 -4.90 115.64 119.90 1svt s THR 28 Ca 0.34 0.18 -0.19 0.00 -1.21 0.00 0.00 61.69 60.80 1svt s THR 28 Cb -0.07 -3.25 -0.03 0.00 -1.51 0.00 0.00 72.50 67.64 1svt s THR 28 CO 0.00 -0.17 1.31 -0.83 -2.21 0.00 0.00 174.62 172.72 1svt s GLY 29 N 7.73 2.86 -0.54 6.08 0.00 -1.26 -4.77 107.32 117.41 1svt s GLY 29 Ca 0.93 1.23 -0.30 0.00 0.00 0.00 0.00 44.72 46.58 1svt s GLY 29 CO 0.34 1.69 2.40 -1.26 0.00 0.00 0.00 173.10 176.27 1svt n SER 30 N -1.57 1.87 -2.18 1.64 2.88 -1.26 -4.82 113.62 110.18 1svt n SER 30 Ca 0.14 -0.03 -0.23 0.00 -1.33 0.00 0.00 58.87 57.42 1svt n SER 30 Cb 0.47 -1.34 0.18 0.00 -0.75 0.00 0.00 64.21 62.77 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 12.59 5.46 -2.87 -1.46 0.00 -1.26 -4.93 120.51 128.04 1svt n ALA 31 Ca 0.44 -2.77 -0.09 0.00 0.00 0.00 0.00 53.44 51.03 1svt n ALA 31 Cb 0.33 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.06 -3.01 -3.54 0.00 0.00 -1.26 -5.09 120.51 106.55 1svt n ALA 32 Ca 0.57 1.12 -0.08 0.00 0.00 0.00 0.00 53.44 55.05 1svt n ALA 32 Cb 1.62 -3.61 -0.02 0.00 0.00 0.00 0.00 19.45 17.44 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 -2.51 -1.80 0.49 0.00 0.00 -1.26 -5.20 121.76 111.48 1svt s ALA 33 Ca 0.24 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.08 1svt s ALA 33 Cb -0.07 0.46 -0.00 0.00 0.00 0.00 0.00 23.12 23.51 1svt s ALA 33 CO 0.77 -0.74 0.02 1.17 0.00 0.00 0.00 175.76 176.98 1svt n LYS 34 N -0.28 0.74 -3.88 0.00 3.00 -1.26 -4.71 118.16 111.77 1svt n LYS 34 Ca -0.08 -3.67 -0.37 0.00 -0.00 0.00 0.00 58.31 54.19 1svt n LYS 34 Cb 0.62 1.13 -0.06 0.00 0.00 0.00 0.00 35.03 36.72 1svt n LYS 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1svt s SER 35 N -3.75 6.37 -0.01 3.14 0.15 -1.26 -4.60 113.70 113.74 1svt s SER 35 Ca 0.03 0.46 0.21 0.00 0.70 0.00 0.00 55.95 57.35 1svt s SER 35 Cb 0.00 -2.07 -0.25 0.00 -1.71 0.00 0.00 66.02 62.00 1svt s SER 35 CO 0.02 0.40 0.78 0.35 1.20 0.00 0.00 173.24 176.00 1svt n THR 36 N 2.05 0.00 -3.02 6.45 -2.24 -1.26 -4.88 114.28 111.38 1svt n THR 36 Ca -0.20 -0.12 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1svt n THR 36 Cb 0.55 0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 69.52 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 -3.06 3.82 0.04 -0.78 3.00 -1.26 -2.38 118.95 118.33 1svt s ARG 37 Ca 0.04 0.46 -0.28 0.00 0.00 0.00 0.00 55.73 55.96 1svt s ARG 37 Cb 0.15 -2.44 0.09 0.00 0.00 0.00 0.00 34.95 32.75 1svt s ARG 37 CO 0.85 0.06 0.87 0.20 0.00 0.00 0.00 175.30 177.29 1svt s GLY 38 N -2.87 -0.44 -0.07 -3.53 0.00 -0.59 -2.17 107.32 97.64 1svt s GLY 38 Ca 0.51 0.81 0.01 0.00 0.00 0.00 0.00 44.72 46.05 1svt s GLY 38 CO 0.27 0.26 -0.09 1.85 0.00 0.00 0.00 173.10 175.39 1svt s GLU 39 N -3.21 2.80 0.35 2.90 2.12 -0.43 -0.44 118.70 122.79 1svt s GLU 39 Ca 0.06 -0.59 -0.27 0.00 0.36 0.00 0.00 54.97 54.53 1svt s GLU 39 Cb -0.01 -2.57 -0.09 0.00 0.26 0.00 0.00 34.13 31.72 1svt s GLU 39 CO -0.07 0.59 1.09 0.08 -0.54 0.00 0.00 175.26 176.41 1svt s VAL 40 N -0.63 3.54 0.00 3.70 1.01 -0.87 -0.84 120.40 126.31 1svt s VAL 40 Ca 0.09 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1svt s VAL 40 Cb -0.11 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1svt s VAL 40 CO 0.02 0.17 0.00 0.18 0.00 0.00 0.00 175.10 175.47 1svt n LEU 41 N 0.49 2.43 -3.82 3.92 4.77 0.92 -3.17 117.00 122.55 1svt n LEU 41 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 1svt n LEU 41 Cb 0.47 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 1svt n LEU 41 CO 0.50 0.40 -0.06 0.00 -1.33 0.00 0.00 177.39 176.90 1svt s ALA 42 N -1.91 -0.45 -0.04 -1.18 0.00 -1.22 -4.80 121.76 112.16 1svt s ALA 42 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1svt s ALA 42 Cb 0.00 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.46 1svt s ALA 42 CO 0.00 -0.39 0.10 0.08 0.00 0.00 0.00 175.76 175.55 1svt s VAL 43 N -2.68 -0.04 1.02 0.00 1.01 -1.26 -2.03 120.40 116.43 1svt s VAL 43 Ca -0.04 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1svt s VAL 43 Cb -0.01 -0.16 0.21 0.00 0.00 0.00 0.00 36.38 36.43 1svt s VAL 43 CO -0.04 0.05 1.24 -0.83 0.00 0.00 0.00 175.10 175.52 1svt s GLY 44 N 0.77 1.70 0.00 4.51 0.00 -1.05 -4.79 107.32 108.45 1svt s GLY 44 Ca -0.06 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1svt s GLY 44 CO -0.03 -0.27 0.90 0.70 0.00 0.00 0.00 173.10 174.39 1svt n ASN 45 N -4.04 0.00 0.00 1.64 3.02 -1.26 -4.56 115.26 110.06 1svt n ASN 45 Ca 0.13 0.90 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 1svt n ASN 45 Cb 0.59 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1svt n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1svt n GLY 46 N -0.93 -1.56 3.74 7.41 0.00 -1.26 -3.50 105.19 109.09 1svt n GLY 46 Ca 0.00 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.61 4.63 0.00 1.61 3.52 -1.16 -3.20 118.95 122.73 1svt s ARG 47 Ca 0.00 1.70 -0.10 0.00 -0.13 0.00 0.00 55.73 57.20 1svt s ARG 47 Cb 0.00 -3.27 -0.32 0.00 -1.56 0.00 0.00 34.95 29.80 1svt s ARG 47 CO 0.00 0.14 0.87 0.82 -0.81 0.00 0.00 175.30 176.32 1svt h ILE 48 N 3.60 1.16 -1.07 4.11 2.04 -1.93 -3.25 117.51 122.16 1svt h ILE 48 Ca -0.45 -2.69 -0.43 0.00 1.00 0.00 0.00 64.86 62.29 1svt h ILE 48 Cb 1.21 2.88 0.10 0.00 -0.74 0.00 0.00 36.82 40.27 1svt h ILE 48 CO 0.71 0.84 -0.60 0.18 0.00 0.00 0.00 178.15 179.28 1svt n LEU 49 N -3.60 -1.79 0.00 1.44 4.77 -1.26 -3.04 117.00 113.52 1svt n LEU 49 Ca -0.19 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1svt n LEU 49 Cb 1.08 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1svt n LEU 49 CO 0.55 -2.72 0.00 1.21 -1.33 0.00 0.00 177.39 175.09 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 -2.34 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 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 2.19 8.20 0.00 -1.26 -4.60 105.19 109.72 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 -3.46 1.61 4.71 -1.26 -4.59 120.64 117.65 1svt n GLU 53 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 1svt n GLU 53 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.37 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 -0.81 -0.10 2.62 1.01 -1.26 -4.72 120.40 117.14 1svt s VAL 54 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 1svt s VAL 54 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1svt s VAL 54 CO 0.00 -0.01 0.80 -1.59 0.00 0.00 0.00 175.10 174.30 1svt s LYS 55 N 2.72 4.39 0.93 2.72 0.00 -1.23 -4.87 119.74 124.41 1svt s LYS 55 Ca 0.06 1.02 -0.11 0.00 0.00 0.00 0.00 55.97 56.94 1svt s LYS 55 Cb -0.14 -3.51 0.15 0.00 0.00 0.00 0.00 37.83 34.34 1svt s LYS 55 CO -0.17 -0.13 1.09 -1.25 0.00 0.00 0.00 175.35 174.90 1svt s PRO 56 N 1.43 0.95 0.42 1.78 0.04 -1.26 -3.00 135.00 135.35 1svt s PRO 56 Ca 0.40 1.08 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 1svt s PRO 56 Cb -0.18 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1svt s PRO 56 CO 0.17 -2.53 0.67 -0.51 0.04 0.00 0.00 177.00 174.84 1svt s LEU 57 N -6.46 3.80 0.00 -3.56 1.43 -1.23 -4.90 118.68 107.76 1svt s LEU 57 Ca 0.65 0.64 0.17 0.00 -1.03 0.00 0.00 54.13 54.56 1svt s LEU 57 Cb -0.20 -3.54 0.59 0.00 0.03 0.00 0.00 46.19 43.07 1svt s LEU 57 CO 0.58 -0.47 1.45 0.47 0.23 0.00 0.00 176.35 178.61 1svt n ASP 58 N -2.03 1.81 -4.34 2.29 9.92 -1.26 -4.79 116.55 118.14 1svt n ASP 58 Ca -0.02 -1.82 -0.35 0.00 -0.53 0.00 0.00 54.79 52.07 1svt n ASP 58 Cb 0.56 -0.16 -0.14 0.00 -0.64 0.00 0.00 41.12 40.74 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 -1.68 3.56 0.18 2.53 -7.23 -1.26 -5.10 120.40 111.39 1svt s VAL 59 Ca 0.30 -0.43 -0.19 0.00 -1.81 0.00 0.00 61.98 59.84 1svt s VAL 59 Cb 0.16 -2.63 -0.08 0.00 0.56 0.00 0.00 36.38 34.40 1svt s VAL 59 CO 0.23 0.41 0.67 -1.59 -0.31 0.00 0.00 175.10 174.52 1svt s LYS 60 N 1.45 4.24 -0.69 4.82 -2.85 -1.26 -4.95 119.74 120.50 1svt s LYS 60 Ca 0.05 0.82 -0.29 0.00 -1.00 0.00 0.00 55.97 55.55 1svt s LYS 60 Cb -0.14 -3.00 -0.14 0.00 -2.06 0.00 0.00 37.83 32.48 1svt s LYS 60 CO -0.02 0.48 2.51 0.28 0.10 0.00 0.00 175.35 178.70 1svt n VAL 61 N 1.03 -0.02 0.00 1.79 0.31 -1.26 -2.55 118.33 117.62 1svt n VAL 61 Ca -0.05 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1svt n VAL 61 Cb 0.51 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 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 6.29 1.27 3.83 2.92 0.00 -1.19 -4.96 105.19 113.34 1svt n GLY 62 Ca 0.50 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.71 6.23 -0.41 1.61 1.01 -1.06 -4.75 116.67 117.60 1svt s ASP 63 Ca 0.00 1.62 -0.18 0.00 0.71 0.00 0.00 52.55 54.70 1svt s ASP 63 Cb 0.00 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.44 1svt s ASP 63 CO 0.00 -0.86 0.51 -0.63 0.21 0.00 0.00 175.17 174.40 1svt s ILE 64 N -2.69 5.00 0.04 0.77 1.01 -1.26 -2.06 121.20 122.01 1svt s ILE 64 Ca 0.60 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 61.25 1svt s ILE 64 Cb -0.12 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1svt s ILE 64 CO 0.38 -0.44 -0.25 0.68 0.00 0.00 0.00 174.94 175.31 1svt s VAL 65 N 2.39 2.04 -0.16 2.92 -7.23 0.42 -0.16 120.40 120.63 1svt s VAL 65 Ca 0.16 -1.34 -0.14 0.00 -1.81 0.00 0.00 61.98 58.85 1svt s VAL 65 Cb -0.16 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1svt s VAL 65 CO 0.15 0.35 0.31 -0.63 -0.31 0.00 0.00 175.10 174.97 1svt s ILE 66 N -0.79 5.29 0.24 -0.62 1.01 -0.90 -1.55 121.20 123.89 1svt s ILE 66 Ca 0.11 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.40 1svt s ILE 66 Cb -0.10 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1svt s ILE 66 CO 0.02 0.38 -0.01 0.72 0.00 0.00 0.00 174.94 176.05 1svt s PHE 67 N 0.50 1.65 -0.35 3.97 -0.12 -1.00 -1.01 117.98 121.62 1svt s PHE 67 Ca 0.18 -0.88 -0.15 0.00 -0.05 0.00 0.00 56.93 56.02 1svt s PHE 67 Cb -0.13 -0.96 -0.01 0.00 -0.63 0.00 0.00 43.02 41.29 1svt s PHE 67 CO 0.05 0.02 0.37 1.21 -0.05 0.00 0.00 175.22 176.82 1svt s ASN 68 N -3.34 6.18 -0.61 1.98 3.84 -0.70 -4.82 114.94 117.48 1svt s ASN 68 Ca 0.29 -0.31 -0.09 0.00 0.21 0.00 0.00 52.86 52.96 1svt s ASN 68 Cb 0.05 -2.20 -0.08 0.00 -0.55 0.00 0.00 41.25 38.47 1svt s ASN 68 CO 0.10 -0.37 1.78 -0.67 -2.79 0.00 0.00 177.10 175.14 1svt n ASP 69 N 5.40 3.04 -2.82 -4.21 -0.08 -1.26 -4.87 116.55 111.74 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 -0.92 0.00 0.00 2.34 0.00 0.00 41.12 43.03 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 4.05 -0.90 0.18 0.27 0.00 -1.26 -4.96 105.19 102.57 1svt n GLY 70 Ca 0.35 -1.63 -0.19 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 -0.23 0.89 0.00 1.61 3.20 -2.04 -3.26 116.97 117.14 1svt h TYR 71 Ca 0.00 -0.47 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1svt h TYR 71 Cb 0.00 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1svt h TYR 71 CO 0.00 1.30 0.00 0.41 -1.64 0.00 0.00 178.16 178.23 1svt n GLY 72 N 1.03 -0.42 3.62 1.82 0.00 -1.26 -4.63 105.19 105.35 1svt n GLY 72 Ca -0.10 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.50 4.79 0.27 1.61 1.01 -1.23 -4.57 120.40 119.78 1svt s VAL 73 Ca 0.05 1.27 0.08 0.00 0.00 0.00 0.00 61.98 63.38 1svt s VAL 73 Cb 0.03 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1svt s VAL 73 CO 0.08 -0.23 0.15 -0.54 0.00 0.00 0.00 175.10 174.56 1svt s LYS 74 N 2.96 2.68 -0.10 2.72 -0.14 -0.64 -4.94 119.74 122.29 1svt s LYS 74 Ca 0.33 -1.23 0.02 0.00 -1.36 0.00 0.00 55.97 53.73 1svt s LYS 74 Cb -0.14 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 33.58 1svt s LYS 74 CO 0.12 0.33 -0.14 0.45 -0.76 0.00 0.00 175.35 175.34 1svt s SER 75 N -3.81 3.96 0.18 2.83 0.15 -1.26 -1.75 113.70 113.99 1svt s SER 75 Ca 0.34 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 1svt s SER 75 Cb -0.07 -1.30 -0.04 0.00 -1.71 0.00 0.00 66.02 62.90 1svt s SER 75 CO 0.24 0.23 0.10 -1.61 1.20 0.00 0.00 173.24 173.39 1svt s GLU 76 N -0.07 1.14 -0.18 5.44 0.41 0.20 -5.00 118.70 120.64 1svt s GLU 76 Ca -0.03 -1.58 0.00 0.00 -0.41 0.00 0.00 54.97 52.95 1svt s GLU 76 Cb -0.14 0.16 0.04 0.00 -1.78 0.00 0.00 34.13 32.41 1svt s GLU 76 CO 0.04 -0.32 -0.08 0.21 -0.49 0.00 0.00 175.26 174.61 1svt s LYS 77 N -4.09 1.78 -0.12 1.61 2.47 -1.26 -2.19 119.74 117.94 1svt s LYS 77 Ca 0.33 -0.68 -0.01 0.00 -1.56 0.00 0.00 55.97 54.06 1svt s LYS 77 Cb 0.07 -2.22 0.03 0.00 -1.46 0.00 0.00 37.83 34.25 1svt s LYS 77 CO 0.09 -0.42 -0.06 0.42 0.16 0.00 0.00 175.35 175.54 1svt s ILE 78 N 1.51 0.93 -0.26 5.43 1.09 -1.04 -4.70 121.20 124.16 1svt s ILE 78 Ca -0.00 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.26 1svt s ILE 78 Cb -0.16 -1.01 0.00 0.00 -1.06 0.00 0.00 42.46 40.24 1svt s ILE 78 CO -0.08 0.30 0.00 0.47 -0.10 0.00 0.00 174.94 175.53 1svt n ASP 79 N 4.97 -4.65 -0.24 3.58 8.00 -1.26 -0.48 116.55 126.47 1svt n ASP 79 Ca -0.11 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1svt n ASP 79 Cb 0.50 -3.01 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 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 -0.24 -1.20 -4.30 -2.24 2.85 -1.26 -5.11 115.26 103.75 1svt n ASN 80 Ca -0.02 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.13 1svt n ASN 80 Cb 0.41 -0.36 -0.16 0.00 1.24 0.00 0.00 39.78 40.91 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 -3.48 2.23 -0.57 1.20 8.01 0.37 -5.09 118.70 121.37 1svt s GLU 81 Ca 0.00 -0.92 -0.28 0.00 0.01 0.00 0.00 54.97 53.78 1svt s GLU 81 Cb 0.00 -2.08 0.02 0.00 -4.31 0.00 0.00 34.13 27.76 1svt s GLU 81 CO 0.00 0.51 1.35 -1.21 0.01 0.00 0.00 175.26 175.92 1svt s GLU 82 N -0.49 3.37 0.21 1.61 0.41 -1.26 -2.49 118.70 120.06 1svt s GLU 82 Ca 0.06 0.39 0.08 0.00 -0.41 0.00 0.00 54.97 55.10 1svt s GLU 82 Cb -0.11 -4.09 -0.05 0.00 -1.78 0.00 0.00 34.13 28.10 1svt s GLU 82 CO 0.00 -1.86 -0.15 0.14 -0.49 0.00 0.00 175.26 172.91 1svt s VAL 83 N 5.70 1.81 0.06 2.63 -7.23 -0.93 -4.31 120.40 118.13 1svt s VAL 83 Ca 0.49 -2.23 0.05 0.00 -1.81 0.00 0.00 61.98 58.49 1svt s VAL 83 Cb -0.10 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 1svt s VAL 83 CO 0.25 -0.57 -0.15 -0.76 -0.31 0.00 0.00 175.10 173.56 1svt s LEU 84 N -3.32 2.24 -0.11 1.32 1.02 0.18 -0.63 118.68 119.38 1svt s LEU 84 Ca 0.23 -0.57 -0.01 0.00 0.02 0.00 0.00 54.13 53.80 1svt s LEU 84 Cb -0.01 -0.60 0.03 0.00 0.02 0.00 0.00 46.19 45.63 1svt s LEU 84 CO 0.08 -0.02 -0.04 -0.63 0.02 0.00 0.00 176.35 175.76 1svt s ILE 85 N -1.11 0.76 0.24 -0.59 1.01 -0.72 -1.83 121.20 118.96 1svt s ILE 85 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 1svt s ILE 85 Cb -0.09 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 1svt s ILE 85 CO 0.02 0.27 0.29 0.00 0.00 0.00 0.00 174.94 175.52 1svt s MET 86 N 1.81 1.42 0.55 2.79 0.23 -1.00 -1.61 119.30 123.49 1svt s MET 86 Ca 0.04 -1.53 -0.03 0.00 -1.03 0.00 0.00 55.69 53.14 1svt s MET 86 Cb -0.13 0.36 0.01 0.00 -1.53 0.00 0.00 34.83 33.54 1svt s MET 86 CO -0.07 -0.53 0.82 -1.54 -2.03 0.00 0.00 175.02 171.67 1svt s SER 87 N -3.13 5.53 0.41 -1.18 1.04 -1.26 0.04 113.70 115.16 1svt s SER 87 Ca 0.32 0.43 0.12 0.00 0.48 0.00 0.00 55.95 57.30 1svt s SER 87 Cb 0.03 -1.45 0.95 0.00 0.10 0.00 0.00 66.02 65.66 1svt s SER 87 CO 0.13 -1.02 1.97 -0.08 0.98 0.00 0.00 173.24 175.21 1svt h GLU 88 N -0.00 0.49 -0.77 4.02 4.81 -1.80 -1.37 114.58 119.95 1svt h GLU 88 Ca -0.45 -0.03 0.18 0.00 -0.13 0.00 0.00 59.36 58.93 1svt h GLU 88 Cb 1.27 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1svt h GLU 88 CO 0.58 0.32 0.53 0.77 -0.73 0.00 0.00 179.01 180.48 1svt h SER 89 N 0.50 0.26 1.49 1.04 0.02 -1.94 0.17 113.55 115.09 1svt h SER 89 Ca 0.30 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1svt h SER 89 Cb 0.49 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1svt h SER 89 CO -0.09 0.12 -0.05 0.44 -1.14 0.00 0.00 176.83 176.11 1svt h ASP 90 N 0.27 0.00 -3.35 3.07 3.32 -1.61 -3.45 116.42 114.67 1svt h ASP 90 Ca 0.38 -0.02 -0.56 0.00 0.02 0.00 0.00 57.03 56.86 1svt h ASP 90 Cb 1.10 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 1svt h ASP 90 CO -0.10 0.01 0.04 -0.63 -1.72 0.00 0.00 179.24 176.85 1svt s ILE 91 N -3.12 4.91 -0.16 0.35 1.01 0.59 -1.71 121.20 123.06 1svt s ILE 91 Ca 0.10 1.37 0.04 0.00 0.00 0.00 0.00 60.65 62.16 1svt s ILE 91 Cb 0.12 -3.99 -0.13 0.00 0.01 0.00 0.00 42.46 38.46 1svt s ILE 91 CO 0.62 0.37 -0.11 0.18 0.00 0.00 0.00 174.94 176.00 1svt n LEU 92 N 3.00 2.25 -3.82 2.97 4.77 -0.18 -4.98 117.00 121.02 1svt n LEU 92 Ca -0.05 -0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 55.79 1svt n LEU 92 Cb 0.51 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1svt n LEU 92 CO 0.45 0.68 0.59 0.00 -1.33 0.00 0.00 177.39 177.79 1svt s ALA 93 N -2.34 -0.96 0.10 -1.18 0.00 -1.05 -5.01 121.76 111.32 1svt s ALA 93 Ca -0.19 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.22 1svt s ALA 93 Cb 0.06 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1svt s ALA 93 CO 0.44 -1.01 -0.23 0.42 0.00 0.00 0.00 175.76 175.39 1svt s ILE 94 N -2.35 1.87 -0.74 0.00 1.01 -1.26 -2.12 121.20 117.60 1svt s ILE 94 Ca 0.17 -1.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.14 1svt s ILE 94 Cb -0.05 -1.68 0.19 0.00 0.01 0.00 0.00 42.46 40.94 1svt s ILE 94 CO 0.10 0.02 0.65 -0.69 0.00 0.00 0.00 174.94 175.02 1svt s VAL 95 N -1.09 5.11 0.45 2.92 1.01 0.78 -4.93 120.40 124.64 1svt s VAL 95 Ca 0.09 -2.46 0.04 0.00 0.00 0.00 0.00 61.98 59.64 1svt s VAL 95 Cb -0.10 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.09 1svt s VAL 95 CO 0.04 -0.97 0.63 -1.61 0.00 0.00 0.00 175.10 173.20 1svt s GLU 96 N 0.29 2.85 0.00 2.72 2.02 -1.26 -4.58 118.70 120.74 1svt s GLU 96 Ca 0.16 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1svt s GLU 96 Cb -0.15 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1svt s GLU 96 CO -0.06 -0.33 0.00 0.00 0.02 0.00 0.00 175.26 174.88