#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joy s PRO 2 N 0.00 2.67 -0.03 0.03 0.02 -1.26 -4.92 135.00 131.50 2joy s PRO 2 Ca 0.00 1.25 -0.17 0.00 0.02 0.00 0.00 61.00 62.10 2joy s PRO 2 Cb 0.00 -4.41 0.03 0.00 0.02 0.00 0.00 34.50 30.14 2joy s PRO 2 CO 0.00 -2.65 0.37 0.00 -0.33 0.00 0.00 177.00 174.39 2joy s ALA 3 N 9.57 -0.93 -0.54 -1.55 0.00 -1.26 -4.97 121.76 122.08 2joy s ALA 3 Ca 0.85 0.53 -0.12 0.00 0.00 0.00 0.00 51.96 53.22 2joy s ALA 3 Cb -0.19 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 22.94 2joy s ALA 3 CO 0.27 -0.27 0.64 -0.89 0.00 0.00 0.00 175.76 175.51 2joy n ILE 4 N 1.37-10.19 -4.38 0.00 2.08 -1.26 -5.03 119.36 101.95 2joy n ILE 4 Ca -0.20 0.46 -0.29 0.00 0.56 0.00 0.00 62.75 63.27 2joy n ILE 4 Cb 0.56 -6.85 -0.13 0.00 -0.75 0.00 0.00 39.64 32.47 2joy n ILE 4 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2joy s GLU 5 N -2.80 1.44 -0.19 0.38 2.02 -1.26 -5.07 118.70 113.22 2joy s GLU 5 Ca 0.17 -1.34 -0.29 0.00 0.02 0.00 0.00 54.97 53.53 2joy s GLU 5 Cb -0.04 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.24 2joy s GLU 5 CO 0.77 0.45 1.61 0.14 0.02 0.00 0.00 175.26 178.25 2joy s VAL 6 N -1.09 3.71 0.00 2.63 -7.23 -1.26 -2.26 120.40 114.90 2joy s VAL 6 Ca 0.15 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 2joy s VAL 6 Cb -0.10 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.16 2joy s VAL 6 CO 0.07 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2joy n GLY 7 N 4.52 0.96 3.45 2.32 0.00 -0.39 -1.96 105.19 114.09 2joy n GLY 7 Ca 0.18 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2joy n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2joy s ARG 8 N -0.67 3.67 0.26 1.61 3.52 -0.96 -1.35 118.95 125.03 2joy s ARG 8 Ca 0.00 -0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 54.83 2joy s ARG 8 Cb 0.00 -3.34 -0.09 0.00 -1.56 0.00 0.00 34.95 29.96 2joy s ARG 8 CO 0.00 -0.19 1.29 0.42 -0.81 0.00 0.00 175.30 176.01 2joy s ILE 9 N 1.62 3.04 -0.06 4.11 1.01 -1.07 -3.38 121.20 126.46 2joy s ILE 9 Ca 0.06 0.94 -0.00 0.00 0.00 0.00 0.00 60.65 61.65 2joy s ILE 9 Cb -0.15 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.75 2joy s ILE 9 CO 0.04 0.18 -0.03 0.00 0.00 0.00 0.00 174.94 175.13 2joy s VAL 11 N 1.42 4.84 -0.60 0.00 0.11 -0.42 -2.35 120.40 123.39 2joy s VAL 11 Ca -0.03 0.57 -0.25 0.00 -2.93 0.00 0.00 61.98 59.34 2joy s VAL 11 Cb -0.13 -3.66 0.04 0.00 -1.53 0.00 0.00 36.38 31.10 2joy s VAL 11 CO -0.03 -0.25 1.06 -0.54 -3.33 0.00 0.00 175.10 172.02 2joy s LYS 12 N -3.22 3.33 0.52 1.54 3.01 -0.43 -0.60 119.74 123.89 2joy s LYS 12 Ca 0.50 -0.20 0.29 0.00 -1.01 0.00 0.00 55.97 55.55 2joy s LYS 12 Cb -0.11 -4.09 1.42 0.00 -1.01 0.00 0.00 37.83 34.04 2joy s LYS 12 CO 0.24 -1.68 2.03 -0.24 0.51 0.00 0.00 175.35 176.21 2joy h VAL 13 N 6.05 0.41 -0.31 3.17 3.04 -1.85 -0.38 116.25 126.39 2joy h VAL 13 Ca -0.26 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 64.81 2joy h VAL 13 Cb 1.06 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2joy h VAL 13 CO 1.16 0.11 0.00 0.29 -1.01 0.00 0.00 177.57 178.12 2joy n LYS 14 N -3.43 1.98 -3.44 4.17 4.01 -1.25 -4.73 118.16 115.47 2joy n LYS 14 Ca -0.01 -1.22 -0.43 0.00 -0.51 0.00 0.00 58.31 56.14 2joy n LYS 14 Cb 0.28 -1.39 -0.10 0.00 -0.51 0.00 0.00 35.03 33.31 2joy n LYS 14 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2joy s GLY 15 N -0.85 1.98 0.54 0.72 0.00 -0.15 -4.95 107.32 104.61 2joy s GLY 15 Ca 0.22 -1.63 0.28 0.00 0.00 0.00 0.00 44.72 43.59 2joy s GLY 15 CO 0.13 0.96 2.12 3.21 0.00 0.00 0.00 173.10 179.51 2joy h ARG 16 N 8.63 0.00 0.00 2.90 3.08 -1.85 0.24 114.38 127.38 2joy h ARG 16 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2joy h ARG 16 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2joy h ARG 16 CO 0.73 0.09 -0.17 0.93 -1.07 0.00 0.00 179.97 180.49 2joy h GLU 17 N 0.00 0.00 -2.48 0.04 4.39 -1.93 -3.47 114.58 111.13 2joy h GLU 17 Ca -0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 2joy h GLU 17 Cb 0.25 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.83 2joy h GLU 17 CO 0.01 0.00 -0.43 0.00 -1.16 0.00 0.00 179.01 177.43 2joy n ALA 18 N -2.11 -0.53 0.27 3.43 0.00 0.07 -4.81 120.51 116.84 2joy n ALA 18 Ca 0.03 0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.71 2joy n ALA 18 Cb 0.53 -1.95 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 2joy n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2joy n GLY 19 N -0.74 0.20 3.55 0.00 0.00 -1.26 -4.93 105.19 102.01 2joy n GLY 19 Ca -0.21 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 2joy n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2joy s SER 20 N -1.89 5.42 -0.05 1.61 1.04 -1.26 -4.60 113.70 113.97 2joy s SER 20 Ca 0.02 0.23 -0.00 0.00 0.48 0.00 0.00 55.95 56.68 2joy s SER 20 Cb 0.05 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 2joy s SER 20 CO 0.29 -2.28 -0.00 -0.54 0.98 0.00 0.00 173.24 171.69 2joy s LYS 21 N 6.81 2.89 0.06 4.02 1.02 -1.26 -1.31 119.74 131.96 2joy s LYS 21 Ca 0.62 -0.49 -0.12 0.00 0.02 0.00 0.00 55.97 56.00 2joy s LYS 21 Cb -0.12 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 2joy s LYS 21 CO 0.20 0.67 0.26 0.00 -0.92 0.00 0.00 175.35 175.57 2joy s VAL 23 N -3.03 2.17 -0.25 0.00 0.11 -0.29 -0.25 120.40 118.87 2joy s VAL 23 Ca -0.02 -1.32 -0.29 0.00 -2.93 0.00 0.00 61.98 57.43 2joy s VAL 23 Cb 0.01 -1.83 0.01 0.00 -1.53 0.00 0.00 36.38 33.04 2joy s VAL 23 CO -0.06 0.41 1.10 -0.63 -3.33 0.00 0.00 175.10 172.59 2joy s ILE 24 N -0.77 4.54 -0.11 7.04 1.01 -1.22 -2.44 121.20 129.25 2joy s ILE 24 Ca 0.12 1.83 0.11 0.00 0.00 0.00 0.00 60.65 62.71 2joy s ILE 24 Cb -0.10 -4.28 -0.16 0.00 0.01 0.00 0.00 42.46 37.93 2joy s ILE 24 CO 0.02 -0.27 0.08 1.33 0.00 0.00 0.00 174.94 176.09 2joy n VAL 25 N 5.53 0.73 -3.69 2.92 0.24 -0.90 -1.27 118.33 121.89 2joy n VAL 25 Ca 0.12 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.79 2joy n VAL 25 Cb 0.46 -0.55 -0.09 0.00 -1.47 0.00 0.00 33.84 32.19 2joy n VAL 25 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2joy s ASP 26 N -4.38 -0.48 -0.40 -1.34 2.15 -1.22 -4.50 116.67 106.50 2joy s ASP 26 Ca -0.06 0.82 -0.13 0.00 0.43 0.00 0.00 52.55 53.61 2joy s ASP 26 Cb 0.04 0.84 0.03 0.00 -0.30 0.00 0.00 42.92 43.54 2joy s ASP 26 CO 0.51 -0.27 0.27 -0.63 -0.17 0.00 0.00 175.17 174.88 2joy s ILE 27 N -0.17 4.87 -0.05 4.11 1.01 -1.26 -0.29 121.20 129.42 2joy s ILE 27 Ca -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 2joy s ILE 27 Cb -0.03 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 2joy s ILE 27 CO 0.02 -0.32 0.11 0.40 0.00 0.00 0.00 174.94 175.15 2joy h ILE 28 N 5.79 0.00 -2.88 2.92 1.08 -1.73 -3.48 117.51 119.21 2joy h ILE 28 Ca -0.26 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.68 2joy h ILE 28 Cb 1.11 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 2joy h ILE 28 CO 0.72 0.00 0.00 -0.67 -0.69 0.00 0.00 178.15 177.51 2joy n ASP 29 N -3.63 0.76 0.08 1.72 2.03 0.86 -4.99 116.55 113.38 2joy n ASP 29 Ca -0.01 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.18 2joy n ASP 29 Cb 0.02 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.29 2joy n ASP 29 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2joy h ASP 30 N 0.00 0.22 0.00 1.67 3.58 -2.00 -3.39 116.42 116.50 2joy h ASP 30 Ca 0.00 -0.25 -0.10 0.00 0.42 0.00 0.00 57.03 57.10 2joy h ASP 30 Cb 0.00 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2joy h ASP 30 CO 0.00 1.20 -1.37 0.59 -2.88 0.00 0.00 179.24 176.77 2joy n ASN 31 N -3.43 3.54 -4.57 2.28 5.03 -1.26 -4.94 115.26 111.91 2joy n ASN 31 Ca -0.06 -0.03 -0.41 0.00 0.87 0.00 0.00 54.58 54.96 2joy n ASN 31 Cb 0.99 0.09 -0.03 0.00 -1.02 0.00 0.00 39.78 39.81 2joy n ASN 31 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2joy s PHE 32 N -2.13 1.97 0.16 3.10 0.08 -1.24 -3.01 117.98 116.90 2joy s PHE 32 Ca -0.07 0.61 0.06 0.00 0.12 0.00 0.00 56.93 57.65 2joy s PHE 32 Cb 0.02 -4.23 -0.04 0.00 -0.57 0.00 0.00 43.02 38.20 2joy s PHE 32 CO 0.17 -2.31 0.07 0.14 -0.10 0.00 0.00 175.22 173.19 2joy s VAL 33 N 7.23 4.14 -0.33 -0.44 -7.23 0.24 -0.10 120.40 123.91 2joy s VAL 33 Ca 0.64 -1.19 -0.16 0.00 -1.81 0.00 0.00 61.98 59.46 2joy s VAL 33 Cb -0.14 -3.08 -0.01 0.00 0.56 0.00 0.00 36.38 33.71 2joy s VAL 33 CO 0.26 -0.07 0.39 -0.22 -0.31 0.00 0.00 175.10 175.14 2joy s LEU 34 N -2.92 4.38 0.08 1.32 1.98 0.60 -1.71 118.68 122.40 2joy s LEU 34 Ca 0.29 -0.14 0.09 0.00 -2.89 0.00 0.00 54.13 51.48 2joy s LEU 34 Cb -0.10 -2.39 -0.03 0.00 0.66 0.00 0.00 46.19 44.33 2joy s LEU 34 CO 0.21 -0.34 -0.23 0.68 -1.89 0.00 0.00 176.35 174.77 2joy s VAL 35 N 2.09 1.91 0.03 1.68 -7.23 -0.84 -2.11 120.40 115.93 2joy s VAL 35 Ca 0.13 -1.44 -0.13 0.00 -1.81 0.00 0.00 61.98 58.73 2joy s VAL 35 Cb -0.16 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.12 2joy s VAL 35 CO 0.12 0.16 0.29 0.28 -0.31 0.00 0.00 175.10 175.63 2joy s THR 36 N -0.94 0.08 -0.36 5.32 -1.32 -1.02 -1.78 115.64 115.62 2joy s THR 36 Ca 0.10 -0.67 -0.10 0.00 -1.21 0.00 0.00 61.69 59.80 2joy s THR 36 Cb -0.10 -0.87 0.02 0.00 -1.51 0.00 0.00 72.50 70.05 2joy s THR 36 CO 0.03 -0.37 0.19 -0.83 -2.21 0.00 0.00 174.62 171.43 2joy s GLY 37 N -1.92 1.91 -0.11 6.08 0.00 -0.74 -1.14 107.32 111.41 2joy s GLY 37 Ca -0.07 -1.65 -0.10 0.00 0.00 0.00 0.00 44.72 42.90 2joy s GLY 37 CO -0.02 0.81 0.40 -1.05 0.00 0.00 0.00 173.10 173.24 2joy n PRO 38 N 4.99 0.00 -0.13 2.90 -0.02 -1.26 -0.68 135.00 140.80 2joy n PRO 38 Ca -0.12 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.29 2joy n PRO 38 Cb 0.47 -0.32 -0.01 0.00 -0.02 0.00 0.00 33.50 33.62 2joy n PRO 38 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2joy h LYS 39 N 1.51 -0.23 -0.82 -0.52 3.64 -1.89 0.83 116.57 119.09 2joy h LYS 39 Ca -0.05 0.02 -0.38 0.00 -1.27 0.00 0.00 60.65 58.96 2joy h LYS 39 Cb 0.30 0.05 -0.23 0.00 -0.41 0.00 0.00 32.23 31.94 2joy h LYS 39 CO 0.22 -0.15 0.44 -3.47 -2.27 0.00 0.00 179.45 174.21 2joy n ASP 40 N -5.42 3.82 0.02 4.20 2.03 -1.26 -3.41 116.55 116.53 2joy n ASP 40 Ca 0.01 -3.53 0.00 0.00 0.52 0.00 0.00 54.79 51.79 2joy n ASP 40 Cb 0.34 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 2joy n ASP 40 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2joy n ILE 41 N -0.89 0.44 0.00 5.18 5.41 -0.48 -5.00 119.36 124.01 2joy n ILE 41 Ca 0.50 0.14 -0.00 0.00 1.00 0.00 0.00 62.75 64.39 2joy n ILE 41 Cb 1.49 -1.44 -0.00 0.00 -0.71 0.00 0.00 39.64 38.99 2joy n ILE 41 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2joy n THR 42 N -3.17 0.27 0.00 1.39 5.66 0.16 -4.83 114.28 113.78 2joy n THR 42 Ca 0.00 0.16 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 2joy n THR 42 Cb 0.28 -1.25 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 2joy n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2joy n GLY 43 N 3.05 0.49 3.05 1.09 0.00 -0.65 -3.80 105.19 108.41 2joy n GLY 43 Ca -0.01 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 2joy n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2joy s VAL 44 N -0.13 2.03 0.14 1.61 1.01 0.14 -4.30 120.40 120.90 2joy s VAL 44 Ca 0.00 -1.48 -0.34 0.00 0.00 0.00 0.00 61.98 60.15 2joy s VAL 44 Cb 0.00 -2.14 -0.15 0.00 0.00 0.00 0.00 36.38 34.09 2joy s VAL 44 CO 0.00 0.01 1.44 1.17 0.00 0.00 0.00 175.10 177.72 2joy n LYS 45 N 4.50 1.70 -2.33 2.72 4.81 -1.26 -1.79 118.16 126.51 2joy n LYS 45 Ca -0.14 0.61 -0.41 0.00 -0.87 0.00 0.00 58.31 57.49 2joy n LYS 45 Cb 0.43 -2.30 -0.03 0.00 0.02 0.00 0.00 35.03 33.15 2joy n LYS 45 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2joy s ARG 46 N 0.50 4.45 0.21 1.64 1.70 -1.26 -4.73 118.95 121.45 2joy s ARG 46 Ca 0.79 1.92 -0.02 0.00 -0.47 0.00 0.00 55.73 57.95 2joy s ARG 46 Cb -0.79 -3.24 -0.04 0.00 -0.57 0.00 0.00 34.95 30.32 2joy s ARG 46 CO 0.44 -0.17 0.18 1.03 -1.08 0.00 0.00 175.30 175.70 2joy s ARG 47 N -0.01 1.27 -0.18 3.89 0.52 -0.73 -4.98 118.95 118.73 2joy s ARG 47 Ca 0.55 -1.61 -0.08 0.00 -0.52 0.00 0.00 55.73 54.07 2joy s ARG 47 Cb -0.34 0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.39 2joy s ARG 47 CO 0.36 -0.43 0.09 1.03 0.02 0.00 0.00 175.30 176.37 2joy s ARG 48 N -4.10 3.97 0.01 3.54 0.52 -1.26 -1.99 118.95 119.63 2joy s ARG 48 Ca 0.37 -0.28 0.04 0.00 -0.52 0.00 0.00 55.73 55.34 2joy s ARG 48 Cb 0.06 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.25 2joy s ARG 48 CO 0.12 0.35 -0.14 0.54 0.02 0.00 0.00 175.30 176.19 2joy s VAL 49 N 0.19 1.09 -0.20 3.52 0.11 -0.70 -4.91 120.40 119.50 2joy s VAL 49 Ca 0.06 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 2joy s VAL 49 Cb -0.12 -0.94 0.27 0.00 -1.53 0.00 0.00 36.38 34.07 2joy s VAL 49 CO -0.00 0.20 1.45 -0.46 -3.33 0.00 0.00 175.10 172.96 2joy n ASN 50 N 2.44 3.62 -2.72 3.54 6.94 -1.25 -0.59 115.26 127.24 2joy n ASN 50 Ca -0.15 -2.71 -0.01 0.00 -0.02 0.00 0.00 54.58 51.69 2joy n ASN 50 Cb 0.55 -0.69 -0.01 0.00 -2.36 0.00 0.00 39.78 37.28 2joy n ASN 50 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2joy n ILE 51 N -0.13-11.80 0.00 1.53 5.41 -1.17 -4.67 119.36 108.53 2joy n ILE 51 Ca 0.25 1.94 0.00 0.00 1.00 0.00 0.00 62.75 65.95 2joy n ILE 51 Cb 0.96 -6.73 0.00 0.00 -0.71 0.00 0.00 39.64 33.16 2joy n ILE 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2joy n LEU 52 N 0.89 0.00 -0.81 1.39 0.00 -1.26 -4.94 117.00 112.26 2joy n LEU 52 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 56.01 56.00 2joy n LEU 52 Cb 0.11 0.03 0.17 0.00 0.00 0.00 0.00 43.42 43.74 2joy n LEU 52 CO 0.42 -0.03 0.61 1.41 0.00 0.00 0.00 177.39 179.80 2joy n HIS 53 N -1.10 0.64 -3.65 1.96 8.25 -1.26 -4.78 115.22 115.27 2joy n HIS 53 Ca 0.00 -0.27 -0.13 0.00 -0.26 0.00 0.00 57.72 57.06 2joy n HIS 53 Cb 0.00 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 30.95 2joy n HIS 53 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2joy s LEU 54 N -1.10 0.32 0.00 2.41 2.34 -1.26 -3.05 118.68 118.34 2joy s LEU 54 Ca 0.25 0.07 0.05 0.00 0.06 0.00 0.00 54.13 54.56 2joy s LEU 54 Cb 0.15 1.79 -0.02 0.00 -0.56 0.00 0.00 46.19 47.55 2joy s LEU 54 CO 0.14 -0.65 -0.16 -1.61 -1.06 0.00 0.00 176.35 173.01 2joy s GLU 55 N -2.29 1.23 0.19 1.48 2.02 0.23 -4.79 118.70 116.76 2joy s GLU 55 Ca -0.06 -0.64 -0.32 0.00 0.02 0.00 0.00 54.97 53.97 2joy s GLU 55 Cb -0.01 -1.21 -0.12 0.00 0.10 0.00 0.00 34.13 32.89 2joy s GLU 55 CO -0.01 0.32 1.75 -0.35 0.02 0.00 0.00 175.26 176.99 2joy n PRO 56 N 2.47 2.77 -3.57 0.39 -0.04 -1.26 -1.30 135.00 134.45 2joy n PRO 56 Ca -0.15 1.00 -0.20 0.00 -0.04 0.00 0.00 63.50 64.11 2joy n PRO 56 Cb 0.54 -2.86 -0.01 0.00 -0.04 0.00 0.00 33.50 31.14 2joy n PRO 56 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2joy s THR 57 N 1.48 4.50 0.45 0.52 2.01 0.49 -4.87 115.64 120.23 2joy s THR 57 Ca 0.77 -0.91 0.16 0.00 0.31 0.00 0.00 61.69 62.01 2joy s THR 57 Cb -0.50 -3.59 0.33 0.00 0.01 0.00 0.00 72.50 68.75 2joy s THR 57 CO 0.33 -0.25 2.00 -0.78 -0.69 0.00 0.00 174.62 175.22 2joy h ASP 58 N 0.92 0.29 -3.14 3.53 1.82 -1.94 -3.43 116.42 114.46 2joy h ASP 58 Ca -0.48 0.01 -0.60 0.00 -0.39 0.00 0.00 57.03 55.57 2joy h ASP 58 Cb 1.25 -0.05 -0.07 0.00 0.68 0.00 0.00 39.33 41.13 2joy h ASP 58 CO 0.56 0.17 -0.20 -0.54 -1.61 0.00 0.00 179.24 177.63 2joy s LYS 59 N -5.31 4.08 -0.03 0.28 3.01 -1.26 -5.06 119.74 115.45 2joy s LYS 59 Ca -0.07 0.38 -0.01 0.00 -1.01 0.00 0.00 55.97 55.26 2joy s LYS 59 Cb 0.19 -3.31 0.03 0.00 -1.01 0.00 0.00 37.83 33.73 2joy s LYS 59 CO 0.74 0.48 0.04 0.21 0.51 0.00 0.00 175.35 177.33 2joy s LYS 60 N -0.39 0.00 -0.09 1.68 2.20 -1.26 -2.61 119.74 119.26 2joy s LYS 60 Ca 0.23 0.25 0.12 0.00 -0.36 0.00 0.00 55.97 56.22 2joy s LYS 60 Cb -0.16 -0.41 -0.24 0.00 -1.51 0.00 0.00 37.83 35.52 2joy s LYS 60 CO 0.11 -0.24 0.47 0.44 -0.36 0.00 0.00 175.35 175.77 2joy n ILE 61 N 4.67 1.57 -1.97 5.43 -5.35 -0.46 -5.01 119.36 118.24 2joy n ILE 61 Ca -0.17 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.52 2joy n ILE 61 Cb 0.50 -0.96 0.00 0.00 -1.74 0.00 0.00 39.64 37.44 2joy n ILE 61 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2joy n ASP 62 N -3.01 -7.88 -3.98 7.28 2.03 -0.56 -5.05 116.55 105.38 2joy n ASP 62 Ca -0.23 1.36 -0.26 0.00 0.52 0.00 0.00 54.79 56.18 2joy n ASP 62 Cb 1.08 -4.31 -0.07 0.00 -0.72 0.00 0.00 41.12 37.09 2joy n ASP 62 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2joy n ILE 63 N 1.47 0.00 -2.64 5.18 -5.35 -0.83 -4.95 119.36 112.24 2joy n ILE 63 Ca 0.00 -2.33 -0.22 0.00 -0.27 0.00 0.00 62.75 59.93 2joy n ILE 63 Cb 0.00 0.76 0.04 0.00 -1.74 0.00 0.00 39.64 38.70 2joy n ILE 63 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2joy s GLN 64 N -3.57 2.61 -0.01 6.28 -1.52 -1.26 -4.77 119.66 117.42 2joy s GLN 64 Ca 0.16 -0.64 -0.24 0.00 -1.95 0.00 0.00 55.36 52.69 2joy s GLN 64 Cb 0.01 -2.45 -0.05 0.00 -0.22 0.00 0.00 33.01 30.30 2joy s GLN 64 CO 0.11 -0.70 0.73 0.21 -0.25 0.00 0.00 175.29 175.40 2joy s LYS 65 N -4.79 4.46 0.00 2.91 2.36 -1.26 -4.19 119.74 119.23 2joy s LYS 65 Ca 0.56 0.98 0.00 0.00 -2.55 0.00 0.00 55.97 54.96 2joy s LYS 65 Cb -0.10 -3.40 0.00 0.00 -1.05 0.00 0.00 37.83 33.28 2joy s LYS 65 CO 0.39 0.18 0.00 0.41 1.55 0.00 0.00 175.35 177.88 2joy n GLY 66 N 2.72 1.34 3.83 5.54 0.00 -1.26 -5.12 105.19 112.24 2joy n GLY 66 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2joy n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2joy s ALA 67 N -2.00 3.45 0.19 4.61 0.00 -1.26 -5.00 121.76 121.75 2joy s ALA 67 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2joy s ALA 67 Cb 0.00 -2.71 -0.00 0.00 0.00 0.00 0.00 23.12 20.40 2joy s ALA 67 CO 0.00 0.37 0.04 -1.13 0.00 0.00 0.00 175.76 175.04 2joy n SER 68 N 0.51 1.61 0.27 0.00 3.41 -1.26 -4.96 113.62 113.20 2joy n SER 68 Ca -0.02 -1.93 0.12 0.00 -0.26 0.00 0.00 58.87 56.79 2joy n SER 68 Cb 0.52 0.34 0.75 0.00 -0.26 0.00 0.00 64.21 65.55 2joy n SER 68 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2joy h ASP 69 N 0.63 0.00 0.13 4.04 3.58 -1.99 -1.57 116.42 121.23 2joy h ASP 69 Ca -0.15 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 2joy h ASP 69 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2joy h ASP 69 CO 0.24 0.10 -0.06 -0.08 -2.88 0.00 0.00 179.24 176.56 2joy h GLU 70 N 0.00 -0.17 -0.25 0.28 4.81 -1.98 -2.62 114.58 114.66 2joy h GLU 70 Ca -0.00 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2joy h GLU 70 Cb 0.25 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2joy h GLU 70 CO 0.01 0.29 0.12 1.49 -0.73 0.00 0.00 179.01 180.20 2joy h GLU 71 N -0.74 0.25 -0.63 1.92 4.57 -1.85 0.66 114.58 118.77 2joy h GLU 71 Ca -0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2joy h GLU 71 Cb 0.53 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 2joy h GLU 71 CO 0.03 0.17 0.40 0.28 -1.18 0.00 0.00 179.01 178.71 2joy h VAL 72 N 0.26 1.18 -0.35 0.32 2.07 -1.42 -0.45 116.25 117.85 2joy h VAL 72 Ca 0.10 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 2joy h VAL 72 Cb 0.02 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2joy h VAL 72 CO -0.07 0.18 -0.31 0.50 0.02 0.00 0.00 177.57 177.89 2joy h LYS 73 N 0.86 0.77 0.16 1.57 3.64 -1.04 -1.89 116.57 120.64 2joy h LYS 73 Ca 0.23 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2joy h LYS 73 Cb -0.06 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2joy h LYS 73 CO -0.05 0.97 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.67 2joy h LYS 74 N 0.65 -0.42 -0.61 1.90 3.64 0.93 0.41 116.57 123.08 2joy h LYS 74 Ca 0.07 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 2joy h LYS 74 Cb 0.84 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 2joy h LYS 74 CO 0.07 -0.28 0.02 0.87 -2.27 0.00 0.00 179.45 177.87 2joy h LYS 75 N -0.43 1.05 -0.54 1.90 6.56 -1.07 -0.05 116.57 123.98 2joy h LYS 75 Ca 0.01 -0.31 -0.05 0.00 -1.06 0.00 0.00 60.65 59.24 2joy h LYS 75 Cb 0.43 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 2joy h LYS 75 CO -0.09 1.01 0.16 -0.07 -2.06 0.00 0.00 179.45 178.40 2joy h LEU 76 N 0.96 0.80 -0.20 2.94 3.38 -1.10 -2.11 115.31 119.99 2joy h LEU 76 Ca 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2joy h LEU 76 Cb 0.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2joy h LEU 76 CO 0.03 0.80 0.05 -0.08 0.09 0.00 0.00 178.44 179.33 2joy h GLU 77 N 0.75 0.31 -0.67 1.13 4.81 0.10 0.43 114.58 121.45 2joy h GLU 77 Ca 0.17 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 2joy h GLU 77 Cb 0.30 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2joy h GLU 77 CO -0.00 0.44 0.44 1.49 -0.73 0.00 0.00 179.01 180.64 2joy h GLU 78 N 0.14 0.69 -0.02 1.92 4.22 -0.93 0.01 114.58 120.61 2joy h GLU 78 Ca 0.06 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2joy h GLU 78 Cb 0.26 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2joy h GLU 78 CO -0.00 0.46 -0.10 0.45 -2.18 0.00 0.00 179.01 177.64 2joy n SER 79 N -4.47 1.92 -3.45 1.04 2.88 -0.80 -4.94 113.62 105.80 2joy n SER 79 Ca 0.09 -1.55 -0.25 0.00 -1.33 0.00 0.00 58.87 55.84 2joy n SER 79 Cb 0.21 0.08 0.03 0.00 -0.75 0.00 0.00 64.21 63.78 2joy n SER 79 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2joy n ASN 80 N 0.36 -5.36 -0.58 -3.46 5.15 0.21 -4.87 115.26 106.71 2joy n ASN 80 Ca 0.15 -0.49 0.06 0.00 -0.60 0.00 0.00 54.58 53.70 2joy n ASN 80 Cb 0.44 -4.30 0.09 0.00 -0.53 0.00 0.00 39.78 35.48 2joy n ASN 80 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2joy n LEU 81 N -4.35 2.39 0.13 1.20 -0.00 0.13 -4.50 117.00 111.99 2joy n LEU 81 Ca -0.02 -1.34 0.08 0.00 -0.00 0.00 0.00 56.01 54.73 2joy n LEU 81 Cb 0.57 -0.09 0.57 0.00 -0.00 0.00 0.00 43.42 44.47 2joy n LEU 81 CO 0.60 0.51 1.12 0.74 -0.00 0.00 0.00 177.39 180.35 2joy h THR 82 N 2.41 0.99 -0.20 1.96 2.02 -1.87 -2.69 112.91 115.53 2joy h THR 82 Ca 0.00 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.16 2joy h THR 82 Cb 0.61 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 2joy h THR 82 CO 0.00 0.04 -0.11 -0.08 0.37 0.00 0.00 175.52 175.73 2joy h GLU 83 N 0.19 -0.10 -0.20 6.66 4.81 -1.91 -1.71 114.58 122.33 2joy h GLU 83 Ca 0.09 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2joy h GLU 83 Cb 0.13 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2joy h GLU 83 CO -0.02 -0.06 -0.05 -0.92 -0.73 0.00 0.00 179.01 177.23 2joy h TYR 84 N -0.10 0.30 0.00 0.92 3.20 -1.82 0.15 116.97 119.62 2joy h TYR 84 Ca 0.11 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 2joy h TYR 84 Cb 0.27 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2joy h TYR 84 CO -0.27 0.35 -0.54 1.98 -1.64 0.00 0.00 178.16 178.04 2joy h MET 85 N 0.29 0.00 -0.03 1.82 4.05 -1.45 -2.94 114.93 116.67 2joy h MET 85 Ca 0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2joy h MET 85 Cb 0.28 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2joy h MET 85 CO 0.01 0.54 -0.06 1.17 0.23 0.00 0.00 176.91 178.80 2joy n LYS 86 N -3.42 2.09 -2.62 0.39 4.81 -0.68 -4.82 118.16 113.90 2joy n LYS 86 Ca 0.00 -1.68 -0.26 0.00 -0.87 0.00 0.00 58.31 55.50 2joy n LYS 86 Cb 0.67 -1.47 0.01 0.00 0.02 0.00 0.00 35.03 34.27 2joy n LYS 86 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2joy s GLU 87 N -2.07 3.25 2.25 1.64 -6.30 0.45 -4.86 118.70 113.06 2joy s GLU 87 Ca 0.28 0.01 0.00 0.00 -2.50 0.00 0.00 54.97 52.76 2joy s GLU 87 Cb 0.20 -2.37 0.00 0.00 0.00 0.00 0.00 34.13 31.96 2joy s GLU 87 CO 0.34 -0.38 0.00 1.63 0.02 0.00 0.00 175.26 176.87 2joy n LYS 88 N -2.34 0.00 -2.07 4.30 5.02 -1.26 -4.67 118.16 117.14 2joy n LYS 88 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 2joy n LYS 88 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.54 2joy n LYS 88 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2joy s ILE 89 N 0.00 3.23 0.01 -0.18 1.09 -1.26 -4.99 121.20 119.09 2joy s ILE 89 Ca 0.00 0.76 0.00 0.00 -1.10 0.00 0.00 60.65 60.32 2joy s ILE 89 Cb 0.00 -3.49 -0.01 0.00 -1.06 0.00 0.00 42.46 37.90 2joy s ILE 89 CO 0.00 0.02 -0.02 -1.59 -0.10 0.00 0.00 174.94 173.25 2joy s LYS 90 N 1.93 0.18 -0.78 2.79 0.00 -1.26 -4.29 119.74 118.31 2joy s LYS 90 Ca 0.68 -0.20 -0.23 0.00 0.00 0.00 0.00 55.97 56.21 2joy s LYS 90 Cb -0.37 -0.09 0.06 0.00 0.00 0.00 0.00 37.83 37.44 2joy s LYS 90 CO 0.30 0.02 1.15 0.42 0.00 0.00 0.00 175.35 177.24 2joy s ILE 91 N -0.39 4.15 -1.04 3.79 1.09 -1.26 -4.89 121.20 122.65 2joy s ILE 91 Ca -0.03 -0.38 -0.02 0.00 -1.10 0.00 0.00 60.65 59.12 2joy s ILE 91 Cb -0.03 -4.82 0.30 0.00 -1.06 0.00 0.00 42.46 36.84 2joy s ILE 91 CO -0.00 -1.66 1.93 -1.14 -0.10 0.00 0.00 174.94 173.97 2joy n ARG 92 N 8.20 5.06 -3.64 2.79 3.00 -1.25 -3.24 116.66 127.58 2joy n ARG 92 Ca 0.08 -4.38 -0.38 0.00 -0.00 0.00 0.00 57.85 53.17 2joy n ARG 92 Cb 0.48 -2.47 -0.11 0.00 0.00 0.00 0.00 32.46 30.36 2joy n ARG 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 2joy s MET 93 N -3.90 3.87 -0.83 -0.14 -2.45 -1.26 -5.02 119.30 109.57 2joy s MET 93 Ca 0.42 -0.36 -0.25 0.00 -1.25 0.00 0.00 55.69 54.25 2joy s MET 93 Cb 0.22 -3.56 -0.06 0.00 1.25 0.00 0.00 34.83 32.68 2joy s MET 93 CO -0.15 -0.18 2.01 -2.14 1.05 0.00 0.00 175.02 175.60 2joy s PRO 94 N 1.71 2.43 0.04 4.11 0.02 -1.26 -4.88 135.00 137.17 2joy s PRO 94 Ca 0.07 0.01 -0.20 0.00 0.02 0.00 0.00 61.00 60.90 2joy s PRO 94 Cb -0.16 -4.90 0.04 0.00 0.02 0.00 0.00 34.50 29.51 2joy s PRO 94 CO 0.09 -3.41 0.47 -0.08 -0.33 0.00 0.00 177.00 173.74 2joy s THR 95 N 10.59 0.04 -1.24 0.99 -1.32 -1.26 -5.23 115.64 118.20 2joy s THR 95 Ca 0.73 -0.34 0.10 0.00 -1.21 0.00 0.00 61.69 60.97 2joy s THR 95 Cb -0.09 -0.95 0.08 0.00 -1.51 0.00 0.00 72.50 70.03 2joy s THR 95 CO 0.05 -0.19 0.81 0.18 -2.21 0.00 0.00 174.62 173.26