#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 7.56 1.01 7.83 4.22 -1.26 -4.77 114.94 129.53 1svt s ASN 2 Ca 0.00 1.92 -0.14 0.00 -2.14 0.00 0.00 52.86 52.50 1svt s ASN 2 Cb 0.00 -2.60 0.20 0.00 1.28 0.00 0.00 41.25 40.12 1svt s ASN 2 CO 0.00 0.09 1.13 0.27 -2.04 0.00 0.00 177.10 176.55 1svt s ILE 3 N -1.30 1.91 -0.33 0.54 -5.25 -1.26 -5.09 121.20 110.42 1svt s ILE 3 Ca 0.44 0.00 0.03 0.00 -0.99 0.00 0.00 60.65 60.12 1svt s ILE 3 Cb -0.24 -2.63 0.16 0.00 2.95 0.00 0.00 42.46 42.70 1svt s ILE 3 CO 0.30 0.00 0.41 -0.60 -1.79 0.00 0.00 174.94 173.25 1svt s ARG 4 N -5.26 0.53 0.45 0.37 6.06 -1.26 -5.01 118.95 114.84 1svt s ARG 4 Ca 0.67 -0.31 -0.24 0.00 -2.50 0.00 0.00 55.73 53.35 1svt s ARG 4 Cb -0.14 -0.46 -0.07 0.00 0.06 0.00 0.00 34.95 34.33 1svt s ARG 4 CO 0.55 -1.11 1.20 -1.25 -2.50 0.00 0.00 175.30 172.20 1svt s PRO 5 N 2.04 3.76 -0.95 5.12 0.04 -1.26 -4.95 135.00 138.79 1svt s PRO 5 Ca 0.13 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 1svt s PRO 5 Cb -0.13 -2.48 0.24 0.00 0.04 0.00 0.00 34.50 32.18 1svt s PRO 5 CO -0.18 -0.58 0.91 -1.17 0.04 0.00 0.00 177.00 176.02 1svt s LEU 6 N -2.92 6.43 0.00 -3.56 1.98 -1.26 -4.03 118.68 115.33 1svt s LEU 6 Ca 0.63 -3.18 0.00 0.00 -2.89 0.00 0.00 54.13 48.68 1svt s LEU 6 Cb -0.31 -2.18 0.00 0.00 0.66 0.00 0.00 46.19 44.36 1svt s LEU 6 CO 0.39 -0.41 0.00 0.00 -1.89 0.00 0.00 176.35 174.44 1svt n HIS 7 N 3.26 0.00 0.00 5.38 1.44 -1.26 -4.11 115.22 119.93 1svt n HIS 7 Ca 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 1svt n HIS 7 Cb 0.42 -0.42 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 0.62 0.00 -4.83 4.39 2.03 -1.17 -4.79 116.55 112.80 1svt n ASP 8 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 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 -0.05 4.06 0.00 -0.67 1.81 -1.26 -2.20 118.95 120.64 1svt s ARG 9 Ca 0.00 0.59 0.08 0.00 -1.72 0.00 0.00 55.73 54.68 1svt s ARG 9 Cb 0.00 -2.98 -0.02 0.00 -0.45 0.00 0.00 34.95 31.50 1svt s ARG 9 CO 0.00 0.49 -0.24 0.08 -0.68 0.00 0.00 175.30 174.96 1svt s VAL 10 N -1.41 1.90 -0.26 3.52 1.01 0.12 -2.52 120.40 122.76 1svt s VAL 10 Ca 0.37 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1svt s VAL 10 Cb -0.16 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1svt s VAL 10 CO 0.19 0.45 0.06 -0.63 0.00 0.00 0.00 175.10 175.17 1svt s ILE 11 N -0.64 4.03 0.12 2.22 1.01 -0.67 -2.51 121.20 124.76 1svt s ILE 11 Ca 0.09 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.39 1svt s ILE 11 Cb -0.09 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1svt s ILE 11 CO 0.00 0.25 -0.19 0.68 0.00 0.00 0.00 174.94 175.68 1svt s VAL 12 N 1.55 1.68 -0.17 2.92 -7.23 -0.76 -0.21 120.40 118.19 1svt s VAL 12 Ca 0.05 -1.67 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1svt s VAL 12 Cb -0.16 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 1svt s VAL 12 CO 0.02 -0.18 -0.10 -1.59 -0.31 0.00 0.00 175.10 172.94 1svt s LYS 13 N -2.25 3.34 0.97 4.82 -2.85 -0.14 -0.60 119.74 123.02 1svt s LYS 13 Ca 0.09 -0.68 -0.13 0.00 -1.00 0.00 0.00 55.97 54.26 1svt s LYS 13 Cb -0.08 -2.78 0.06 0.00 -2.06 0.00 0.00 37.83 32.97 1svt s LYS 13 CO 0.05 -0.01 0.47 -2.13 0.10 0.00 0.00 175.35 173.83 1svt n ARG 14 N 4.18 -0.51 0.00 1.78 0.63 -1.26 -1.37 116.66 120.11 1svt n ARG 14 Ca -0.18 -0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.64 1svt n ARG 14 Cb 0.52 -1.91 0.00 0.00 0.45 0.00 0.00 32.46 31.52 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 -2.13 1.10 -3.35 -0.14 5.02 -0.93 -4.77 118.16 112.96 1svt n LYS 15 Ca 0.07 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.98 1svt n LYS 15 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.49 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 4.32 4.33 -0.86 1.97 0.41 -1.26 -4.97 118.70 122.65 1svt s GLU 16 Ca 0.00 0.39 -0.26 0.00 -0.41 0.00 0.00 54.97 54.70 1svt s GLU 16 Cb 0.00 -3.43 -0.13 0.00 -1.78 0.00 0.00 34.13 28.78 1svt s GLU 16 CO 0.00 0.17 2.28 0.08 -0.49 0.00 0.00 175.26 177.30 1svt s VAL 17 N 0.60 3.10 -0.73 2.63 1.01 -1.26 -3.69 120.40 122.07 1svt s VAL 17 Ca 0.24 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1svt s VAL 17 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1svt s VAL 17 CO 0.09 -0.21 0.64 -0.62 0.00 0.00 0.00 175.10 175.01 1svt n GLU 18 N 8.73 -1.57 -1.34 2.72 1.02 -1.26 -4.68 120.64 124.25 1svt n GLU 18 Ca 0.45 1.20 -0.57 0.00 -0.02 0.00 0.00 57.16 58.22 1svt n GLU 18 Cb 0.44 -3.78 -0.10 0.00 -0.02 0.00 0.00 31.44 27.98 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 -1.88 0.07 -1.53 2.62 -1.04 -1.24 -4.55 114.28 106.72 1svt n THR 19 Ca -0.15 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.05 61.64 1svt n THR 19 Cb 0.61 -0.88 -0.10 0.00 -1.82 0.00 0.00 70.33 68.14 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 7.52 0.35 0.00 -2.82 4.01 -1.26 -3.77 118.16 122.19 1svt n LYS 20 Ca 0.49 -0.93 0.00 0.00 -0.51 0.00 0.00 58.31 57.36 1svt n LYS 20 Cb 0.05 -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 16.87 0.00 -4.59 4.39 3.41 -1.25 -4.70 113.62 127.75 1svt n SER 21 Ca 0.46 -0.06 -0.60 0.00 -0.26 0.00 0.00 58.87 58.40 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 -2.38 0.00 7.33 0.00 -1.24 -0.59 120.51 123.63 1svt n ALA 22 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1svt n ALA 22 Cb 0.02 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 2.48 3.00 0.00 0.00 0.00 -1.26 -4.59 105.19 104.83 1svt n GLY 23 Ca 0.23 -0.81 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 -1.08 0.16 -0.02 0.00 0.24 -4.92 105.19 99.56 1svt n GLY 24 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 46.02 46.47 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 0.61 -3.15 -0.61 2.04 -1.89 -3.46 117.51 111.05 1svt h ILE 25 Ca 0.00 -1.87 -0.56 0.00 1.00 0.00 0.00 64.86 63.43 1svt h ILE 25 Cb 0.00 2.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1svt h ILE 25 CO 0.00 0.35 0.66 -0.69 0.00 0.00 0.00 178.15 178.47 1svt s VAL 26 N -3.03 4.51 -0.87 1.67 1.01 -1.26 -4.97 120.40 117.46 1svt s VAL 26 Ca 0.04 1.81 -0.23 0.00 0.00 0.00 0.00 61.98 63.60 1svt s VAL 26 Cb 0.07 -4.16 0.07 0.00 0.00 0.00 0.00 36.38 32.36 1svt s VAL 26 CO 0.73 -0.02 1.25 -0.22 0.00 0.00 0.00 175.10 176.84 1svt s LEU 27 N 2.25 3.98 -0.28 3.92 0.20 -1.26 -3.61 118.68 123.88 1svt s LEU 27 Ca 0.52 -1.31 -0.28 0.00 0.69 0.00 0.00 54.13 53.75 1svt s LEU 27 Cb -0.21 -2.50 -0.04 0.00 -0.43 0.00 0.00 46.19 43.01 1svt s LEU 27 CO 0.19 -1.46 2.15 0.28 -0.29 0.00 0.00 176.35 177.23 1svt s THR 28 N 4.40 3.10 0.59 3.68 -1.32 -1.26 -4.89 115.64 119.94 1svt s THR 28 Ca 0.36 0.10 -0.20 0.00 -1.21 0.00 0.00 61.69 60.75 1svt s THR 28 Cb -0.06 -3.15 -0.03 0.00 -1.51 0.00 0.00 72.50 67.75 1svt s THR 28 CO -0.01 -0.10 1.30 -0.83 -2.21 0.00 0.00 174.62 172.77 1svt s GLY 29 N 8.29 2.85 -0.59 6.08 0.00 -1.26 -4.76 107.32 117.93 1svt s GLY 29 Ca 0.96 1.21 -0.30 0.00 0.00 0.00 0.00 44.72 46.58 1svt s GLY 29 CO 0.34 1.67 2.42 -1.26 0.00 0.00 0.00 173.10 176.27 1svt n SER 30 N -1.48 1.68 -2.21 1.64 2.88 -1.26 -4.82 113.62 110.05 1svt n SER 30 Ca 0.13 -0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.43 1svt n SER 30 Cb 0.47 -1.29 0.18 0.00 -0.75 0.00 0.00 64.21 62.82 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 12.35 5.56 -2.87 -1.46 0.00 -1.26 -4.93 120.51 127.90 1svt n ALA 31 Ca 0.47 -2.86 -0.09 0.00 0.00 0.00 0.00 53.44 50.96 1svt n ALA 31 Cb 0.29 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.12 -3.04 -3.57 0.00 0.00 -1.26 -5.10 120.51 106.42 1svt n ALA 32 Ca 0.59 1.01 -0.07 0.00 0.00 0.00 0.00 53.44 54.98 1svt n ALA 32 Cb 1.66 -3.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.86 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 -2.36 -1.85 0.44 0.00 0.00 -1.26 -5.20 121.76 111.53 1svt s ALA 33 Ca 0.22 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.11 1svt s ALA 33 Cb -0.06 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.44 1svt s ALA 33 CO 0.77 -0.76 0.05 1.17 0.00 0.00 0.00 175.76 176.99 1svt n LYS 34 N -0.28 0.77 -3.83 0.00 3.00 -1.26 -4.72 118.16 111.84 1svt n LYS 34 Ca -0.07 -3.37 -0.37 0.00 -0.00 0.00 0.00 58.31 54.51 1svt n LYS 34 Cb 0.61 1.20 -0.06 0.00 0.00 0.00 0.00 35.03 36.78 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 -3.51 6.36 -0.00 3.14 0.15 -1.26 -4.61 113.70 113.97 1svt s SER 35 Ca 0.07 0.43 0.21 0.00 0.70 0.00 0.00 55.95 57.36 1svt s SER 35 Cb 0.00 -2.08 -0.24 0.00 -1.71 0.00 0.00 66.02 62.00 1svt s SER 35 CO 0.05 0.35 0.86 0.35 1.20 0.00 0.00 173.24 176.05 1svt n THR 36 N 2.33 0.00 -3.05 6.45 -2.24 -1.26 -4.87 114.28 111.64 1svt n THR 36 Ca -0.19 -0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.23 1svt n THR 36 Cb 0.54 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.65 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 -3.03 3.87 0.05 -0.78 3.00 -1.26 -2.29 118.95 118.52 1svt s ARG 37 Ca 0.07 0.52 -0.27 0.00 0.00 0.00 0.00 55.73 56.04 1svt s ARG 37 Cb 0.16 -2.44 0.09 0.00 0.00 0.00 0.00 34.95 32.76 1svt s ARG 37 CO 0.87 0.09 0.86 0.20 0.00 0.00 0.00 175.30 177.32 1svt s GLY 38 N -2.70 -0.44 -0.08 -3.53 0.00 -0.51 -2.18 107.32 97.88 1svt s GLY 38 Ca 0.52 0.77 0.01 0.00 0.00 0.00 0.00 44.72 46.02 1svt s GLY 38 CO 0.24 0.25 -0.10 1.85 0.00 0.00 0.00 173.10 175.34 1svt s GLU 39 N -3.24 2.81 0.40 2.90 2.12 -0.47 -0.40 118.70 122.82 1svt s GLU 39 Ca 0.06 -0.61 -0.25 0.00 0.36 0.00 0.00 54.97 54.53 1svt s GLU 39 Cb -0.01 -2.55 -0.09 0.00 0.26 0.00 0.00 34.13 31.74 1svt s GLU 39 CO -0.07 0.57 1.13 0.08 -0.54 0.00 0.00 175.26 176.42 1svt s VAL 40 N -0.56 3.33 0.00 3.70 1.01 -0.81 -0.97 120.40 126.11 1svt s VAL 40 Ca 0.08 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1svt s VAL 40 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1svt s VAL 40 CO 0.02 0.08 0.00 0.18 0.00 0.00 0.00 175.10 175.37 1svt n LEU 41 N 0.05 2.16 -3.75 3.92 4.77 0.71 -3.25 117.00 121.62 1svt n LEU 41 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1svt n LEU 41 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1svt n LEU 41 CO 0.49 0.35 0.04 0.00 -1.33 0.00 0.00 177.39 176.93 1svt s ALA 42 N -1.89 -0.70 -0.04 -1.18 0.00 -1.22 -4.81 121.76 111.92 1svt s ALA 42 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 1svt s ALA 42 Cb 0.00 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.48 1svt s ALA 42 CO 0.00 -0.42 0.10 0.08 0.00 0.00 0.00 175.76 175.52 1svt s VAL 43 N -2.60 -0.03 1.08 0.00 1.01 -1.26 -1.67 120.40 116.93 1svt s VAL 43 Ca -0.05 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 1svt s VAL 43 Cb -0.01 -0.17 0.24 0.00 0.00 0.00 0.00 36.38 36.45 1svt s VAL 43 CO -0.04 0.04 1.23 -0.83 0.00 0.00 0.00 175.10 175.51 1svt s GLY 44 N 0.68 1.70 0.00 4.51 0.00 -1.05 -4.80 107.32 108.36 1svt s GLY 44 Ca -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1svt s GLY 44 CO -0.03 -0.28 0.84 0.70 0.00 0.00 0.00 173.10 174.33 1svt n ASN 45 N -4.25 0.00 0.00 1.64 3.02 -1.26 -4.59 115.26 109.82 1svt n ASN 45 Ca 0.15 0.84 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 1svt n ASN 45 Cb 0.59 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.89 -1.27 3.74 7.41 0.00 -1.26 -3.53 105.19 109.39 1svt n GLY 46 Ca 0.00 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.26 4.62 -0.01 1.61 3.52 -1.17 -3.04 118.95 123.21 1svt s ARG 47 Ca 0.00 1.69 -0.12 0.00 -0.13 0.00 0.00 55.73 57.16 1svt s ARG 47 Cb 0.00 -3.28 -0.33 0.00 -1.56 0.00 0.00 34.95 29.78 1svt s ARG 47 CO 0.00 0.12 0.81 0.82 -0.81 0.00 0.00 175.30 176.25 1svt h ILE 48 N 3.67 1.09 -1.01 4.11 2.04 -1.93 -3.21 117.51 122.27 1svt h ILE 48 Ca -0.44 -2.61 -0.35 0.00 1.00 0.00 0.00 64.86 62.45 1svt h ILE 48 Cb 1.21 2.88 0.09 0.00 -0.74 0.00 0.00 36.82 40.26 1svt h ILE 48 CO 0.72 0.84 -0.57 0.18 0.00 0.00 0.00 178.15 179.31 1svt n LEU 49 N -3.63 -1.76 0.00 1.44 4.77 -1.26 -3.11 117.00 113.44 1svt n LEU 49 Ca -0.21 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1svt n LEU 49 Cb 1.09 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1svt n LEU 49 CO 0.55 -2.49 0.00 1.21 -1.33 0.00 0.00 177.39 175.33 1svt n GLU 50 N 0.79 0.00 0.00 3.23 4.07 -1.26 -4.63 120.64 122.84 1svt n GLU 50 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1svt n GLU 50 Cb 0.24 -2.64 0.00 0.00 -0.06 0.00 0.00 31.44 28.98 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 -1.18 -4.90 115.26 118.64 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 2.26 8.20 0.00 -1.26 -4.58 105.19 109.81 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 -4.58 120.64 117.66 1svt n GLU 53 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1svt n GLU 53 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.38 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 -0.83 -0.07 2.62 1.01 -1.26 -4.72 120.40 117.15 1svt s VAL 54 Ca 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 1svt s VAL 54 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1svt s VAL 54 CO 0.00 -0.01 0.71 -1.59 0.00 0.00 0.00 175.10 174.21 1svt s LYS 55 N 2.74 4.43 0.92 2.72 0.00 -1.21 -4.86 119.74 124.48 1svt s LYS 55 Ca 0.06 0.89 -0.11 0.00 0.00 0.00 0.00 55.97 56.81 1svt s LYS 55 Cb -0.13 -3.46 0.15 0.00 0.00 0.00 0.00 37.83 34.38 1svt s LYS 55 CO -0.17 0.03 1.10 -1.25 0.00 0.00 0.00 175.35 175.06 1svt s PRO 56 N 0.90 1.01 0.51 1.78 0.04 -1.26 -3.07 135.00 134.91 1svt s PRO 56 Ca 0.38 1.15 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 1svt s PRO 56 Cb -0.18 -1.75 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 1svt s PRO 56 CO 0.18 -2.51 0.77 -0.51 0.04 0.00 0.00 177.00 174.97 1svt s LEU 57 N -6.46 3.49 0.00 -3.56 1.43 -1.23 -4.90 118.68 107.45 1svt s LEU 57 Ca 0.65 0.53 0.20 0.00 -1.03 0.00 0.00 54.13 54.48 1svt s LEU 57 Cb -0.21 -3.39 0.56 0.00 0.03 0.00 0.00 46.19 43.18 1svt s LEU 57 CO 0.58 -0.82 1.45 0.47 0.23 0.00 0.00 176.35 178.27 1svt n ASP 58 N -2.29 2.51 -4.39 2.29 9.92 -1.26 -4.81 116.55 118.53 1svt n ASP 58 Ca 0.02 -1.88 -0.36 0.00 -0.53 0.00 0.00 54.79 52.05 1svt n ASP 58 Cb 0.57 -0.21 -0.13 0.00 -0.64 0.00 0.00 41.12 40.71 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 -1.59 3.84 0.20 2.53 -7.23 -1.26 -5.10 120.40 111.79 1svt s VAL 59 Ca 0.35 -0.34 -0.21 0.00 -1.81 0.00 0.00 61.98 59.97 1svt s VAL 59 Cb 0.19 -2.77 -0.08 0.00 0.56 0.00 0.00 36.38 34.28 1svt s VAL 59 CO 0.27 0.39 0.73 -1.59 -0.31 0.00 0.00 175.10 174.59 1svt s LYS 60 N 1.46 4.35 -0.74 4.82 -2.85 -1.26 -4.95 119.74 120.57 1svt s LYS 60 Ca 0.05 0.96 -0.29 0.00 -1.00 0.00 0.00 55.97 55.69 1svt s LYS 60 Cb -0.15 -3.01 -0.15 0.00 -2.06 0.00 0.00 37.83 32.46 1svt s LYS 60 CO 0.00 0.46 2.54 0.28 0.10 0.00 0.00 175.35 178.74 1svt n VAL 61 N 1.04 -0.03 0.00 1.79 0.31 -1.26 -2.58 118.33 117.60 1svt n VAL 61 Ca -0.04 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1svt n VAL 61 Cb 0.50 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 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 6.31 1.18 3.83 2.92 0.00 -1.20 -4.96 105.19 113.28 1svt n GLY 62 Ca 0.52 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.59 6.40 -0.43 1.61 1.01 -1.07 -4.73 116.67 117.87 1svt s ASP 63 Ca 0.00 1.64 -0.20 0.00 0.71 0.00 0.00 52.55 54.70 1svt s ASP 63 Cb 0.00 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.44 1svt s ASP 63 CO 0.00 -0.74 0.61 -0.63 0.21 0.00 0.00 175.17 174.62 1svt s ILE 64 N -2.56 4.87 0.05 0.77 1.01 -1.26 -1.92 121.20 122.15 1svt s ILE 64 Ca 0.60 0.05 0.09 0.00 0.00 0.00 0.00 60.65 61.40 1svt s ILE 64 Cb -0.12 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1svt s ILE 64 CO 0.32 -0.56 -0.26 0.68 0.00 0.00 0.00 174.94 175.12 1svt s VAL 65 N 2.71 2.14 -0.18 2.92 -7.23 0.46 -0.18 120.40 121.04 1svt s VAL 65 Ca 0.21 -1.40 -0.15 0.00 -1.81 0.00 0.00 61.98 58.83 1svt s VAL 65 Cb -0.15 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 1svt s VAL 65 CO 0.18 0.36 0.36 -0.63 -0.31 0.00 0.00 175.10 175.06 1svt s ILE 66 N -0.81 5.24 0.27 -0.62 1.01 -0.97 -1.43 121.20 123.88 1svt s ILE 66 Ca 0.12 0.66 0.06 0.00 0.00 0.00 0.00 60.65 61.48 1svt s ILE 66 Cb -0.10 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 1svt s ILE 66 CO 0.02 0.31 -0.05 0.72 0.00 0.00 0.00 174.94 175.94 1svt s PHE 67 N 0.97 1.87 -0.38 3.97 -0.12 -0.97 -0.76 117.98 122.56 1svt s PHE 67 Ca 0.18 -0.74 -0.17 0.00 -0.05 0.00 0.00 56.93 56.15 1svt s PHE 67 Cb -0.14 -1.07 0.01 0.00 -0.63 0.00 0.00 43.02 41.18 1svt s PHE 67 CO 0.07 0.22 0.43 1.21 -0.05 0.00 0.00 175.22 177.09 1svt s ASN 68 N -3.41 6.21 -0.50 1.98 3.84 -0.63 -4.82 114.94 117.60 1svt s ASN 68 Ca 0.29 -0.42 -0.10 0.00 0.21 0.00 0.00 52.86 52.84 1svt s ASN 68 Cb 0.04 -2.22 -0.10 0.00 -0.55 0.00 0.00 41.25 38.42 1svt s ASN 68 CO 0.11 -0.49 1.68 -0.67 -2.79 0.00 0.00 177.10 174.95 1svt n ASP 69 N 5.56 2.54 -2.68 -4.21 -0.08 -1.26 -4.87 116.55 111.55 1svt n ASP 69 Ca -0.07 -2.31 0.00 0.00 -1.51 0.00 0.00 54.79 50.89 1svt n ASP 69 Cb 0.48 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 43.09 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 -0.57 0.17 0.27 0.00 -1.26 -4.97 105.19 102.97 1svt n GLY 70 Ca 0.32 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.09 0.76 0.00 1.61 3.20 -2.04 -3.28 116.97 117.12 1svt h TYR 71 Ca 0.00 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.54 1svt h TYR 71 Cb 0.00 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1svt h TYR 71 CO 0.00 1.12 0.00 0.41 -1.64 0.00 0.00 178.16 178.05 1svt n GLY 72 N 0.71 -0.34 3.63 1.82 0.00 -1.26 -4.62 105.19 105.12 1svt n GLY 72 Ca -0.08 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.35 4.87 0.23 1.61 1.01 -1.24 -4.56 120.40 119.97 1svt s VAL 73 Ca 0.06 1.31 0.08 0.00 0.00 0.00 0.00 61.98 63.43 1svt s VAL 73 Cb 0.03 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1svt s VAL 73 CO 0.07 -0.10 0.08 -0.54 0.00 0.00 0.00 175.10 174.60 1svt s LYS 74 N 2.78 2.58 -0.12 2.72 -0.14 -0.73 -4.94 119.74 121.90 1svt s LYS 74 Ca 0.31 -1.19 -0.01 0.00 -1.36 0.00 0.00 55.97 53.73 1svt s LYS 74 Cb -0.15 -2.38 -0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1svt s LYS 74 CO 0.09 0.40 -0.08 0.45 -0.76 0.00 0.00 175.35 175.46 1svt s SER 75 N -3.54 4.45 0.22 2.83 0.15 -1.26 -1.71 113.70 114.84 1svt s SER 75 Ca 0.31 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.80 1svt s SER 75 Cb -0.08 -1.51 -0.05 0.00 -1.71 0.00 0.00 66.02 62.68 1svt s SER 75 CO 0.22 0.23 0.07 -1.61 1.20 0.00 0.00 173.24 173.35 1svt s GLU 76 N -0.01 1.27 -0.21 5.44 0.41 0.99 -5.00 118.70 121.58 1svt s GLU 76 Ca -0.01 -1.66 0.01 0.00 -0.41 0.00 0.00 54.97 52.89 1svt s GLU 76 Cb -0.14 -0.16 0.05 0.00 -1.78 0.00 0.00 34.13 32.10 1svt s GLU 76 CO 0.03 -0.26 -0.07 0.21 -0.49 0.00 0.00 175.26 174.69 1svt s LYS 77 N -4.02 1.73 -0.14 1.61 2.47 -1.26 -2.14 119.74 117.99 1svt s LYS 77 Ca 0.33 -0.86 -0.00 0.00 -1.56 0.00 0.00 55.97 53.87 1svt s LYS 77 Cb 0.07 -2.44 0.03 0.00 -1.46 0.00 0.00 37.83 34.03 1svt s LYS 77 CO 0.10 -0.52 -0.06 0.42 0.16 0.00 0.00 175.35 175.45 1svt s ILE 78 N 1.43 1.06 -0.50 5.43 1.09 -1.03 -4.69 121.20 123.99 1svt s ILE 78 Ca -0.03 -0.46 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 1svt s ILE 78 Cb -0.17 -1.16 0.00 0.00 -1.06 0.00 0.00 42.46 40.07 1svt s ILE 78 CO -0.07 0.24 0.00 0.47 -0.10 0.00 0.00 174.94 175.48 1svt n ASP 79 N 4.91 -4.92 -0.32 3.58 8.00 -1.26 -0.67 116.55 125.86 1svt n ASP 79 Ca -0.12 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1svt n ASP 79 Cb 0.49 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.26 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 -0.53 -1.49 -4.29 -2.24 2.85 -1.26 -5.11 115.26 103.19 1svt n ASN 80 Ca -0.05 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.11 1svt n ASN 80 Cb 0.46 -0.42 -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 -4.07 2.23 -0.55 1.20 8.01 0.15 -5.10 118.70 120.57 1svt s GLU 81 Ca 0.00 -0.91 -0.28 0.00 0.01 0.00 0.00 54.97 53.79 1svt s GLU 81 Cb 0.00 -2.05 0.03 0.00 -4.31 0.00 0.00 34.13 27.79 1svt s GLU 81 CO 0.00 0.49 1.21 -1.21 0.01 0.00 0.00 175.26 175.76 1svt s GLU 82 N -0.45 3.54 0.17 1.61 0.41 -1.26 -2.46 118.70 120.26 1svt s GLU 82 Ca 0.05 0.35 0.07 0.00 -0.41 0.00 0.00 54.97 55.03 1svt s GLU 82 Cb -0.11 -4.01 -0.04 0.00 -1.78 0.00 0.00 34.13 28.19 1svt s GLU 82 CO 0.01 -1.65 -0.14 0.14 -0.49 0.00 0.00 175.26 173.13 1svt s VAL 83 N 4.99 1.53 0.06 2.63 -7.23 -0.91 -4.34 120.40 117.13 1svt s VAL 83 Ca 0.45 -2.07 0.05 0.00 -1.81 0.00 0.00 61.98 58.60 1svt s VAL 83 Cb -0.08 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 1svt s VAL 83 CO 0.27 -0.59 -0.15 -0.76 -0.31 0.00 0.00 175.10 173.57 1svt s LEU 84 N -3.09 2.25 -0.11 1.32 1.02 0.23 -0.01 118.68 120.28 1svt s LEU 84 Ca 0.18 -0.57 -0.02 0.00 0.02 0.00 0.00 54.13 53.74 1svt s LEU 84 Cb -0.01 -0.57 0.04 0.00 0.02 0.00 0.00 46.19 45.67 1svt s LEU 84 CO 0.05 -0.03 -0.00 -0.63 0.02 0.00 0.00 176.35 175.75 1svt s ILE 85 N -1.13 0.51 0.23 -0.59 1.01 -0.70 -1.82 121.20 118.71 1svt s ILE 85 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 1svt s ILE 85 Cb -0.09 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1svt s ILE 85 CO 0.02 0.16 0.23 0.00 0.00 0.00 0.00 174.94 175.35 1svt s MET 86 N 1.90 1.37 0.56 2.79 0.23 -1.04 -1.77 119.30 123.34 1svt s MET 86 Ca 0.03 -1.61 -0.03 0.00 -1.03 0.00 0.00 55.69 53.05 1svt s MET 86 Cb -0.14 0.32 0.01 0.00 -1.53 0.00 0.00 34.83 33.50 1svt s MET 86 CO -0.06 -0.49 0.83 -1.54 -2.03 0.00 0.00 175.02 171.73 1svt s SER 87 N -3.16 5.53 0.38 -1.18 1.04 -1.26 0.16 113.70 115.21 1svt s SER 87 Ca 0.36 0.47 0.09 0.00 0.48 0.00 0.00 55.95 57.35 1svt s SER 87 Cb 0.05 -1.48 0.85 0.00 0.10 0.00 0.00 66.02 65.53 1svt s SER 87 CO 0.14 -1.04 1.94 -0.08 0.98 0.00 0.00 173.24 175.18 1svt h GLU 88 N -0.04 0.61 -1.01 4.02 4.81 -1.80 -1.11 114.58 120.08 1svt h GLU 88 Ca -0.45 -0.04 0.25 0.00 -0.13 0.00 0.00 59.36 59.00 1svt h GLU 88 Cb 1.27 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 30.43 1svt h GLU 88 CO 0.59 0.41 0.66 0.77 -0.73 0.00 0.00 179.01 180.71 1svt h SER 89 N 0.63 0.38 1.24 1.04 0.02 -1.94 0.26 113.55 115.19 1svt h SER 89 Ca 0.34 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1svt h SER 89 Cb 0.49 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1svt h SER 89 CO -0.12 0.10 -0.09 0.47 -1.14 0.00 0.00 176.83 176.05 1svt n ASP 90 N -4.54 0.57 -4.75 3.07 8.00 -0.42 -4.80 116.55 113.67 1svt n ASP 90 Ca 0.23 0.47 -0.39 0.00 0.71 0.00 0.00 54.79 55.81 1svt n ASP 90 Cb 0.86 -0.56 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 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 -3.08 4.98 -0.16 0.53 1.01 0.92 -1.61 121.20 123.79 1svt s ILE 91 Ca 0.11 1.21 0.05 0.00 0.00 0.00 0.00 60.65 62.02 1svt s ILE 91 Cb 0.14 -3.92 -0.13 0.00 0.01 0.00 0.00 42.46 38.56 1svt s ILE 91 CO 0.60 0.38 -0.09 0.18 0.00 0.00 0.00 174.94 176.01 1svt n LEU 92 N 3.00 2.04 -3.83 2.97 4.77 0.06 -4.98 117.00 121.03 1svt n LEU 92 Ca -0.06 -0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 55.78 1svt n LEU 92 Cb 0.51 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1svt n LEU 92 CO 0.44 0.65 0.61 0.00 -1.33 0.00 0.00 177.39 177.76 1svt s ALA 93 N -2.35 -0.98 0.10 -1.18 0.00 -1.03 -5.01 121.76 111.31 1svt s ALA 93 Ca -0.18 -0.65 0.09 0.00 0.00 0.00 0.00 51.96 51.22 1svt s ALA 93 Cb 0.05 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1svt s ALA 93 CO 0.46 -1.01 -0.24 0.42 0.00 0.00 0.00 175.76 175.39 1svt s ILE 94 N -2.23 1.94 -0.81 0.00 1.01 -1.26 -2.30 121.20 117.55 1svt s ILE 94 Ca 0.17 -1.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.15 1svt s ILE 94 Cb -0.04 -1.72 0.21 0.00 0.01 0.00 0.00 42.46 40.92 1svt s ILE 94 CO 0.10 0.08 0.74 -0.69 0.00 0.00 0.00 174.94 175.17 1svt s VAL 95 N -1.03 5.45 0.43 2.92 1.01 0.75 -4.93 120.40 125.00 1svt s VAL 95 Ca 0.10 -2.51 0.03 0.00 0.00 0.00 0.00 61.98 59.60 1svt s VAL 95 Cb -0.10 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1svt s VAL 95 CO 0.04 -1.02 0.62 -1.61 0.00 0.00 0.00 175.10 173.14 1svt s GLU 96 N 0.14 2.94 0.00 2.72 2.02 -1.26 -4.61 118.70 120.65 1svt s GLU 96 Ca 0.18 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1svt s GLU 96 Cb -0.11 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1svt s GLU 96 CO -0.08 -0.27 0.00 0.00 0.02 0.00 0.00 175.26 174.93