#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 4.17 0.18 2.12 0.04 -1.26 -4.71 135.00 135.54 2joy s PRO 2 Ca 0.00 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2joy s PRO 2 Cb 0.00 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2joy s PRO 2 CO 0.00 -0.80 0.00 0.00 0.04 0.00 0.00 177.00 176.24 2joy n ALA 3 N 5.96 -1.84 -4.06 8.56 0.00 -1.26 -4.94 120.51 122.93 2joy n ALA 3 Ca 0.17 0.25 -0.44 0.00 0.00 0.00 0.00 53.44 53.42 2joy n ALA 3 Cb 0.40 -0.65 0.02 0.00 0.00 0.00 0.00 19.45 19.22 2joy n ALA 3 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2joy n ILE 4 N -2.77 -2.51 -4.41 0.00 0.13 -1.26 -4.96 119.36 103.58 2joy n ILE 4 Ca -0.00 -0.52 -0.20 0.00 -1.10 0.00 0.00 62.75 60.93 2joy n ILE 4 Cb 0.33 -2.15 -0.10 0.00 -0.84 0.00 0.00 39.64 36.88 2joy n ILE 4 CO 0.00 0.00 0.00 -1.83 2.80 0.00 0.00 176.55 177.52 2joy s GLU 5 N -7.21 1.50 0.17 9.51 -1.05 -1.26 -4.99 118.70 115.36 2joy s GLU 5 Ca 0.44 -1.75 -0.31 0.00 -0.15 0.00 0.00 54.97 53.20 2joy s GLU 5 Cb -0.25 -1.09 -0.09 0.00 -0.44 0.00 0.00 34.13 32.26 2joy s GLU 5 CO 0.93 0.04 1.39 0.14 0.95 0.00 0.00 175.26 178.71 2joy s VAL 6 N -3.05 3.11 0.00 1.83 -7.23 -1.26 -2.61 120.40 111.19 2joy s VAL 6 Ca 0.28 0.85 0.00 0.00 -1.81 0.00 0.00 61.98 61.31 2joy s VAL 6 Cb 0.03 -3.55 0.00 0.00 0.56 0.00 0.00 36.38 33.43 2joy s VAL 6 CO 0.11 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2joy n GLY 7 N 2.95 0.58 3.69 2.32 0.00 0.66 -4.70 105.19 110.69 2joy n GLY 7 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.16 4.31 -0.05 1.61 6.06 -1.07 -0.21 118.95 129.44 2joy s ARG 8 Ca 0.00 0.68 -0.30 0.00 -2.50 0.00 0.00 55.73 53.61 2joy s ARG 8 Cb 0.00 -3.51 -0.03 0.00 0.06 0.00 0.00 34.95 31.47 2joy s ARG 8 CO 0.00 -0.08 1.09 0.42 -2.50 0.00 0.00 175.30 174.23 2joy s ILE 9 N 1.34 4.54 0.17 4.11 1.09 -1.16 -1.09 121.20 130.20 2joy s ILE 9 Ca 0.31 1.83 0.10 0.00 -1.10 0.00 0.00 60.65 61.79 2joy s ILE 9 Cb -0.16 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.02 2joy s ILE 9 CO 0.13 0.04 -0.23 0.00 -0.10 0.00 0.00 174.94 174.78 2joy s VAL 11 N -1.59 2.19 -0.39 0.00 0.11 0.11 -0.56 120.40 120.28 2joy s VAL 11 Ca 0.17 -1.78 -0.29 0.00 -2.93 0.00 0.00 61.98 57.15 2joy s VAL 11 Cb -0.08 -1.96 0.01 0.00 -1.53 0.00 0.00 36.38 32.82 2joy s VAL 11 CO 0.08 0.03 1.35 -0.54 -3.33 0.00 0.00 175.10 172.68 2joy s LYS 12 N -2.16 3.69 -0.72 1.54 -0.14 -0.93 -2.70 119.74 118.32 2joy s LYS 12 Ca 0.14 0.99 -0.01 0.00 -1.36 0.00 0.00 55.97 55.73 2joy s LYS 12 Cb -0.10 -3.97 0.39 0.00 -1.68 0.00 0.00 37.83 32.48 2joy s LYS 12 CO 0.06 -1.42 1.88 0.28 -0.76 0.00 0.00 175.35 175.39 2joy n VAL 13 N 6.80 3.41 -3.70 3.17 0.31 -1.21 -0.16 118.33 126.94 2joy n VAL 13 Ca 0.15 -3.97 -0.35 0.00 -0.01 0.00 0.00 64.34 60.16 2joy n VAL 13 Cb 0.48 -1.21 -0.08 0.00 -0.91 0.00 0.00 33.84 32.11 2joy n VAL 13 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2joy s LYS 14 N -3.92 4.20 0.00 5.55 2.20 -1.26 -4.44 119.74 122.07 2joy s LYS 14 Ca 0.55 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 2joy s LYS 14 Cb 0.45 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 2joy s LYS 14 CO -0.25 0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.44 2joy n GLY 15 N 3.52 1.86 1.19 5.54 0.00 -1.26 -3.98 105.19 112.06 2joy n GLY 15 Ca -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2joy n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2joy n ARG 16 N 0.00 0.00 -3.65 1.61 3.00 -1.26 -5.12 116.66 111.24 2joy n ARG 16 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 2joy n ARG 16 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 2joy n ARG 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2joy s GLU 17 N -2.00 0.57 -0.10 -0.14 2.12 -1.26 -4.76 118.70 113.14 2joy s GLU 17 Ca 0.00 1.23 0.02 0.00 0.36 0.00 0.00 54.97 56.58 2joy s GLU 17 Cb 0.00 0.41 -0.01 0.00 0.26 0.00 0.00 34.13 34.78 2joy s GLU 17 CO 0.00 -0.18 -0.17 0.00 -0.54 0.00 0.00 175.26 174.36 2joy s ALA 18 N 2.19 2.47 0.00 6.30 0.00 0.77 -4.79 121.76 128.69 2joy s ALA 18 Ca -0.07 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2joy s ALA 18 Cb -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2joy s ALA 18 CO -0.18 0.33 1.11 0.41 0.00 0.00 0.00 175.76 177.43 2joy n GLY 19 N 3.25 1.77 3.45 0.00 0.00 0.30 -3.68 105.19 110.28 2joy n GLY 19 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2joy n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2joy s SER 20 N 1.41 5.73 -0.03 1.61 0.01 -1.26 -4.37 113.70 116.79 2joy s SER 20 Ca 0.00 -0.62 -0.01 0.00 1.31 0.00 0.00 55.95 56.63 2joy s SER 20 Cb 0.00 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 2joy s SER 20 CO 0.00 -0.26 0.07 -0.54 0.41 0.00 0.00 173.24 172.92 2joy s LYS 21 N 1.63 3.07 0.05 12.44 3.01 -1.26 -2.18 119.74 136.50 2joy s LYS 21 Ca 0.04 -0.44 0.00 0.00 -1.01 0.00 0.00 55.97 54.57 2joy s LYS 21 Cb -0.18 -2.87 -0.03 0.00 -1.01 0.00 0.00 37.83 33.74 2joy s LYS 21 CO 0.07 0.67 -0.04 0.00 0.51 0.00 0.00 175.35 176.56 2joy s VAL 23 N -2.91 4.35 -0.12 0.00 1.01 0.14 0.41 120.40 123.28 2joy s VAL 23 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 2joy s VAL 23 Cb 0.01 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2joy s VAL 23 CO -0.05 0.45 1.56 -0.63 0.00 0.00 0.00 175.10 176.43 2joy s ILE 24 N 0.62 3.76 -0.12 2.22 1.01 -0.25 -0.48 121.20 127.96 2joy s ILE 24 Ca 0.01 0.90 -0.06 0.00 0.00 0.00 0.00 60.65 61.50 2joy s ILE 24 Cb -0.14 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 2joy s ILE 24 CO 0.02 -0.14 -0.16 0.52 0.00 0.00 0.00 174.94 175.18 2joy n VAL 25 N 5.71 0.67 -3.98 2.92 0.31 -1.01 -0.24 118.33 122.72 2joy n VAL 25 Ca 0.17 -0.17 -0.25 0.00 -0.01 0.00 0.00 64.34 64.07 2joy n VAL 25 Cb 0.44 -1.64 -0.17 0.00 -0.91 0.00 0.00 33.84 31.55 2joy n VAL 25 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2joy s ASP 26 N -6.07 1.94 -0.79 4.52 2.15 -0.82 -4.62 116.67 112.97 2joy s ASP 26 Ca -0.17 -0.25 -0.21 0.00 0.43 0.00 0.00 52.55 52.35 2joy s ASP 26 Cb 0.06 -0.74 0.10 0.00 -0.30 0.00 0.00 42.92 42.05 2joy s ASP 26 CO 0.22 -0.11 1.05 -0.63 -0.17 0.00 0.00 175.17 175.52 2joy s ILE 27 N 1.58 4.50 -0.05 4.11 1.09 -1.26 -0.35 121.20 130.83 2joy s ILE 27 Ca 0.02 -0.95 -0.24 0.00 -1.10 0.00 0.00 60.65 58.38 2joy s ILE 27 Cb -0.13 -4.74 -0.19 0.00 -1.06 0.00 0.00 42.46 36.34 2joy s ILE 27 CO -0.06 -1.49 1.03 0.40 -0.10 0.00 0.00 174.94 174.72 2joy h ILE 28 N 5.95 1.18 -4.49 2.92 2.04 -1.90 -3.48 117.51 119.73 2joy h ILE 28 Ca -0.07 -1.28 -0.44 0.00 1.00 0.00 0.00 64.86 64.07 2joy h ILE 28 Cb 1.05 1.97 -0.13 0.00 -0.74 0.00 0.00 36.82 38.96 2joy h ILE 28 CO 1.16 0.30 -0.52 -0.62 0.00 0.00 0.00 178.15 178.47 2joy s ASP 29 N -5.64 1.59 0.39 1.72 2.15 0.11 -5.01 116.67 111.98 2joy s ASP 29 Ca -0.15 -1.68 0.20 0.00 0.43 0.00 0.00 52.55 51.35 2joy s ASP 29 Cb 0.01 0.51 0.72 0.00 -0.30 0.00 0.00 42.92 43.86 2joy s ASP 29 CO 0.58 -1.00 1.75 0.44 -0.17 0.00 0.00 175.17 176.77 2joy h ASP 30 N 2.17 0.00 0.00 -0.34 3.32 -2.03 -3.34 116.42 116.20 2joy h ASP 30 Ca -0.29 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.50 2joy h ASP 30 Cb 1.24 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 2joy h ASP 30 CO 0.43 0.33 -1.96 0.59 -1.72 0.00 0.00 179.24 176.91 2joy n ASN 31 N -3.48 2.23 -4.71 6.45 4.13 -1.26 -4.81 115.26 113.82 2joy n ASN 31 Ca -0.00 0.01 -0.35 0.00 1.68 0.00 0.00 54.58 55.92 2joy n ASN 31 Cb 0.49 -0.35 -0.08 0.00 -1.54 0.00 0.00 39.78 38.30 2joy n ASN 31 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2joy s PHE 32 N -2.33 3.36 0.21 3.10 0.08 -1.25 -0.37 117.98 120.78 2joy s PHE 32 Ca -0.23 0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.08 2joy s PHE 32 Cb 0.07 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 2joy s PHE 32 CO 0.36 0.32 0.05 0.14 -0.10 0.00 0.00 175.22 175.99 2joy s VAL 33 N 0.05 0.60 -0.26 -0.44 -7.23 -0.01 0.09 120.40 113.20 2joy s VAL 33 Ca 0.07 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2joy s VAL 33 Cb -0.12 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.46 2joy s VAL 33 CO 0.00 -0.24 0.01 -0.22 -0.31 0.00 0.00 175.10 174.34 2joy s LEU 34 N -3.24 3.42 -0.03 1.32 0.20 0.52 -2.03 118.68 118.85 2joy s LEU 34 Ca 0.31 -0.69 0.06 0.00 0.69 0.00 0.00 54.13 54.50 2joy s LEU 34 Cb 0.07 -1.78 -0.02 0.00 -0.43 0.00 0.00 46.19 44.03 2joy s LEU 34 CO 0.09 -0.13 -0.21 0.68 -0.29 0.00 0.00 176.35 176.49 2joy s VAL 35 N 1.44 2.50 -0.21 1.68 -7.23 -1.18 -1.94 120.40 115.46 2joy s VAL 35 Ca 0.02 -0.94 -0.04 0.00 -1.81 0.00 0.00 61.98 59.22 2joy s VAL 35 Cb -0.16 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 2joy s VAL 35 CO -0.01 0.58 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.43 2joy s THR 36 N -0.64 3.51 0.23 5.32 2.01 0.36 -2.60 115.64 123.83 2joy s THR 36 Ca 0.10 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.68 2joy s THR 36 Cb -0.10 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 2joy s THR 36 CO -0.00 0.43 0.36 -0.83 -0.69 0.00 0.00 174.62 173.90 2joy s GLY 37 N 1.22 1.38 -0.40 4.40 0.00 -1.26 0.25 107.32 112.91 2joy s GLY 37 Ca 0.03 -1.12 -0.27 0.00 0.00 0.00 0.00 44.72 43.35 2joy s GLY 37 CO -0.01 -1.13 2.10 -4.14 0.00 0.00 0.00 173.10 169.92 2joy s PRO 38 N -3.79 2.80 0.12 2.90 0.02 -1.26 -4.51 135.00 131.29 2joy s PRO 38 Ca 0.35 1.44 -0.00 0.00 0.02 0.00 0.00 61.00 62.81 2joy s PRO 38 Cb -0.10 -4.39 -0.14 0.00 0.02 0.00 0.00 34.50 29.89 2joy s PRO 38 CO 0.30 -2.49 1.27 -0.22 -0.33 0.00 0.00 177.00 175.53 2joy h LYS 39 N 15.75 0.22 0.04 5.54 3.64 -1.85 0.35 116.57 140.27 2joy h LYS 39 Ca -0.32 -0.30 -0.26 0.00 -1.27 0.00 0.00 60.65 58.50 2joy h LYS 39 Cb 1.21 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 2joy h LYS 39 CO 1.08 1.07 -1.32 0.22 -2.27 0.00 0.00 179.45 178.24 2joy h ASP 40 N 0.10 0.13 0.00 4.20 3.58 -1.88 -3.21 116.42 119.34 2joy h ASP 40 Ca -0.08 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2joy h ASP 40 Cb 1.72 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.72 2joy h ASP 40 CO 0.16 1.14 0.00 -0.38 -2.88 0.00 0.00 179.24 177.28 2joy n ILE 41 N -3.32 0.00 0.01 2.25 5.41 -1.23 -4.71 119.36 117.78 2joy n ILE 41 Ca -0.09 0.24 -0.18 0.00 1.00 0.00 0.00 62.75 63.73 2joy n ILE 41 Cb 1.00 -0.91 -0.10 0.00 -0.71 0.00 0.00 39.64 38.91 2joy n ILE 41 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2joy h THR 42 N 0.00 1.37 0.00 1.39 2.02 -1.45 -3.48 112.91 112.76 2joy h THR 42 Ca 0.00 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.09 2joy h THR 42 Cb 0.00 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2joy h THR 42 CO 0.00 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.12 2joy n GLY 43 N 1.01 1.29 3.87 2.16 0.00 0.11 -5.00 105.19 108.62 2joy n GLY 43 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 4.93 0.19 1.61 1.01 -1.01 -4.86 120.40 120.26 2joy s VAL 44 Ca 0.00 0.56 0.10 0.00 0.00 0.00 0.00 61.98 62.64 2joy s VAL 44 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2joy s VAL 44 CO 0.00 0.04 -0.17 -0.54 0.00 0.00 0.00 175.10 174.43 2joy s LYS 45 N -2.52 1.77 0.02 2.72 1.02 -1.26 -2.78 119.74 118.70 2joy s LYS 45 Ca 0.44 -1.41 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 2joy s LYS 45 Cb -0.12 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 35.14 2joy s LYS 45 CO 0.20 0.42 1.34 -0.98 -0.92 0.00 0.00 175.35 175.41 2joy s ARG 46 N -2.75 4.32 0.30 1.68 1.04 -1.26 -4.35 118.95 117.93 2joy s ARG 46 Ca 0.23 1.91 0.02 0.00 -1.04 0.00 0.00 55.73 56.85 2joy s ARG 46 Cb -0.08 -3.48 -0.02 0.00 -2.04 0.00 0.00 34.95 29.32 2joy s ARG 46 CO 0.12 -0.48 0.29 1.03 -0.04 0.00 0.00 175.30 176.22 2joy s ARG 47 N 1.96 1.65 -0.42 3.89 0.52 -1.07 -4.99 118.95 120.48 2joy s ARG 47 Ca 0.62 -1.84 -0.16 0.00 -0.52 0.00 0.00 55.73 53.83 2joy s ARG 47 Cb -0.31 0.34 0.03 0.00 0.52 0.00 0.00 34.95 35.53 2joy s ARG 47 CO 0.27 -0.62 0.38 1.03 0.02 0.00 0.00 175.30 176.38 2joy s ARG 48 N -3.56 3.03 0.15 3.54 0.52 -1.26 -3.08 118.95 118.29 2joy s ARG 48 Ca 0.37 -0.92 0.07 0.00 -0.52 0.00 0.00 55.73 54.73 2joy s ARG 48 Cb 0.03 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 31.47 2joy s ARG 48 CO 0.22 -0.83 -0.15 0.54 0.02 0.00 0.00 175.30 175.10 2joy s VAL 49 N 1.91 1.54 0.10 3.52 0.11 -0.86 -4.96 120.40 121.76 2joy s VAL 49 Ca 0.08 -1.90 -0.13 0.00 -2.93 0.00 0.00 61.98 57.10 2joy s VAL 49 Cb -0.18 -1.75 -0.06 0.00 -1.53 0.00 0.00 36.38 32.85 2joy s VAL 49 CO 0.11 -0.45 0.48 0.54 -3.33 0.00 0.00 175.10 172.45 2joy s ASN 50 N -2.75 6.78 0.46 3.54 2.20 -1.26 -0.83 114.94 123.08 2joy s ASN 50 Ca 0.14 0.98 0.31 0.00 -0.94 0.00 0.00 52.86 53.35 2joy s ASN 50 Cb -0.04 -2.25 1.36 0.00 -2.00 0.00 0.00 41.25 38.33 2joy s ASN 50 CO 0.05 0.17 1.92 0.40 -2.94 0.00 0.00 177.10 176.70 2joy h ILE 51 N 3.00 0.00 0.00 0.54 2.04 -1.02 -2.92 117.51 119.15 2joy h ILE 51 Ca -0.49 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2joy h ILE 51 Cb 1.20 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 2joy h ILE 51 CO 0.65 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 178.69 2joy n LEU 52 N -2.76 0.04 -0.22 1.44 7.94 -1.26 -1.83 117.00 120.35 2joy n LEU 52 Ca 0.00 0.51 0.05 0.00 -1.11 0.00 0.00 56.01 55.46 2joy n LEU 52 Cb 0.23 -0.50 0.07 0.00 0.53 0.00 0.00 43.42 43.75 2joy n LEU 52 CO 0.23 -0.28 0.43 1.41 -1.11 0.00 0.00 177.39 178.06 2joy n HIS 53 N -1.54 0.00 -3.85 1.96 8.25 -1.10 -5.03 115.22 113.90 2joy n HIS 53 Ca 0.03 -0.53 -0.18 0.00 -0.26 0.00 0.00 57.72 56.78 2joy n HIS 53 Cb 0.16 -0.10 -0.17 0.00 1.12 0.00 0.00 29.99 31.01 2joy n HIS 53 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2joy s LEU 54 N -1.50 0.90 -0.17 2.41 2.96 -0.76 -3.31 118.68 119.21 2joy s LEU 54 Ca 0.16 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 2joy s LEU 54 Cb 0.14 -0.23 -0.00 0.00 0.50 0.00 0.00 46.19 46.59 2joy s LEU 54 CO 0.01 -0.14 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.17 2joy s GLU 55 N 1.36 3.25 0.10 1.98 2.02 -1.10 -4.81 118.70 121.50 2joy s GLU 55 Ca -0.05 -0.72 -0.31 0.00 0.02 0.00 0.00 54.97 53.91 2joy s GLU 55 Cb -0.13 -2.72 -0.09 0.00 0.10 0.00 0.00 34.13 31.30 2joy s GLU 55 CO -0.03 -0.04 1.55 -2.14 0.02 0.00 0.00 175.26 174.62 2joy s PRO 56 N 0.98 4.23 0.43 0.39 0.02 -1.26 -0.71 135.00 139.09 2joy s PRO 56 Ca -0.02 2.26 -0.07 0.00 0.02 0.00 0.00 61.00 63.19 2joy s PRO 56 Cb -0.15 -3.38 0.10 0.00 0.02 0.00 0.00 34.50 31.09 2joy s PRO 56 CO -0.02 -0.62 0.57 0.25 -0.33 0.00 0.00 177.00 176.85 2joy n THR 57 N 4.31 0.00 0.18 0.99 -2.24 0.21 -4.93 114.28 112.81 2joy n THR 57 Ca 0.14 -0.41 0.04 0.00 -2.27 0.00 0.00 64.05 61.55 2joy n THR 57 Cb 0.40 -1.74 0.30 0.00 -2.10 0.00 0.00 70.33 67.19 2joy n THR 57 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2joy h ASP 58 N -0.82 0.00 -3.12 3.42 3.58 -1.96 -3.46 116.42 114.07 2joy h ASP 58 Ca -0.18 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.73 2joy h ASP 58 Cb 0.51 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 2joy h ASP 58 CO 0.13 0.43 -0.22 -0.54 -2.88 0.00 0.00 179.24 176.16 2joy s LYS 59 N -3.60 3.61 0.04 0.28 3.01 -1.26 -5.07 119.74 116.76 2joy s LYS 59 Ca -0.00 -0.08 -0.18 0.00 -1.01 0.00 0.00 55.97 54.70 2joy s LYS 59 Cb 0.11 -2.73 0.04 0.00 -1.01 0.00 0.00 37.83 34.24 2joy s LYS 59 CO 0.70 0.32 0.42 0.21 0.51 0.00 0.00 175.35 177.51 2joy s LYS 60 N -3.27 0.93 -0.10 1.68 2.20 -1.26 -2.99 119.74 116.92 2joy s LYS 60 Ca 0.42 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.70 2joy s LYS 60 Cb -0.11 0.41 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 2joy s LYS 60 CO 0.28 -0.32 -0.17 0.96 -0.36 0.00 0.00 175.35 175.74 2joy s ILE 61 N -2.47 2.71 -0.61 5.43 -4.36 0.71 -4.97 121.20 117.64 2joy s ILE 61 Ca -0.05 -0.80 -0.23 0.00 -0.26 0.00 0.00 60.65 59.30 2joy s ILE 61 Cb -0.01 -2.09 0.06 0.00 1.25 0.00 0.00 42.46 41.67 2joy s ILE 61 CO -0.02 0.55 0.95 -0.62 0.24 0.00 0.00 174.94 176.04 2joy s ASP 62 N 0.06 6.24 0.33 4.36 2.15 -1.26 -4.44 116.67 124.11 2joy s ASP 62 Ca -0.07 -0.73 0.06 0.00 0.43 0.00 0.00 52.55 52.24 2joy s ASP 62 Cb -0.15 -2.42 -0.02 0.00 -0.30 0.00 0.00 42.92 40.03 2joy s ASP 62 CO 0.05 -1.35 0.20 2.30 -0.17 0.00 0.00 175.17 176.21 2joy n ILE 63 N 6.02 0.00 -2.71 4.11 -5.35 -1.26 -5.13 119.36 115.04 2joy n ILE 63 Ca -0.02 -2.17 -0.21 0.00 -0.27 0.00 0.00 62.75 60.09 2joy n ILE 63 Cb 0.46 0.96 0.03 0.00 -1.74 0.00 0.00 39.64 39.35 2joy n ILE 63 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2joy s GLN 64 N -3.29 2.64 -0.55 6.28 -0.44 -1.26 -4.92 119.66 118.11 2joy s GLN 64 Ca 0.29 -0.76 -0.28 0.00 -2.50 0.00 0.00 55.36 52.11 2joy s GLN 64 Cb 0.01 -2.51 0.02 0.00 -1.64 0.00 0.00 33.01 28.89 2joy s GLN 64 CO 0.20 -0.62 1.31 0.21 0.50 0.00 0.00 175.29 176.89 2joy s LYS 65 N -4.71 3.43 0.00 1.67 2.20 -1.26 -4.45 119.74 116.62 2joy s LYS 65 Ca 0.56 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 2joy s LYS 65 Cb -0.10 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 2joy s LYS 65 CO 0.38 -1.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.00 2joy n GLY 66 N 5.15 -0.72 3.86 5.54 0.00 -1.26 -5.12 105.19 112.63 2joy n GLY 66 Ca 0.11 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 3.81 0.41 4.61 0.00 -1.26 -5.00 121.76 124.33 2joy s ALA 67 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.51 2joy s ALA 67 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 2joy s ALA 67 CO 0.00 0.57 0.09 -1.54 0.00 0.00 0.00 175.76 174.88 2joy s SER 68 N -1.05 2.98 0.28 0.00 1.04 -1.26 -4.96 113.70 110.73 2joy s SER 68 Ca 0.18 -1.59 -0.01 0.00 0.48 0.00 0.00 55.95 55.01 2joy s SER 68 Cb -0.14 0.34 0.45 0.00 0.10 0.00 0.00 66.02 66.78 2joy s SER 68 CO 0.07 -0.83 1.89 -0.78 0.98 0.00 0.00 173.24 174.58 2joy h ASP 69 N 1.78 0.99 0.09 7.02 1.82 -1.96 0.18 116.42 126.34 2joy h ASP 69 Ca -0.38 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.26 2joy h ASP 69 Cb 1.27 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.08 2joy h ASP 69 CO 0.64 0.63 -0.04 -0.08 -1.61 0.00 0.00 179.24 178.78 2joy h GLU 70 N 1.12 -0.11 -0.72 0.28 4.81 -1.99 -0.75 114.58 117.21 2joy h GLU 70 Ca 0.42 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2joy h GLU 70 Cb 0.18 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2joy h GLU 70 CO -0.16 0.07 0.43 1.49 -0.73 0.00 0.00 179.01 180.11 2joy h GLU 71 N -0.28 0.98 -0.54 1.92 4.57 -1.79 -1.79 114.58 117.65 2joy h GLU 71 Ca -0.01 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2joy h GLU 71 Cb 0.23 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 2joy h GLU 71 CO 0.02 0.70 0.33 0.28 -1.18 0.00 0.00 179.01 179.16 2joy h VAL 72 N 0.98 1.08 -0.47 0.32 2.07 -0.56 -0.33 116.25 119.35 2joy h VAL 72 Ca 0.26 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.64 2joy h VAL 72 Cb -0.03 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.01 2joy h VAL 72 CO -0.05 0.12 -0.02 0.11 0.02 0.00 0.00 177.57 177.75 2joy h LYS 73 N 0.67 0.09 -0.41 1.57 6.56 -0.46 0.35 116.57 124.93 2joy h LYS 73 Ca 0.21 -0.01 -0.15 0.00 -1.06 0.00 0.00 60.65 59.64 2joy h LYS 73 Cb -0.01 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.63 2joy h LYS 73 CO -0.08 0.06 -0.34 0.87 -2.06 0.00 0.00 179.45 177.89 2joy h LYS 74 N 0.09 0.96 -0.06 3.15 1.57 -0.79 0.50 116.57 122.00 2joy h LYS 74 Ca 0.23 -0.48 -0.14 0.00 -1.87 0.00 0.00 60.65 58.39 2joy h LYS 74 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2joy h LYS 74 CO -0.41 1.15 -0.60 0.87 -0.57 0.00 0.00 179.45 179.88 2joy h LYS 75 N 0.79 0.19 -0.00 3.15 6.56 -0.76 -1.94 116.57 124.56 2joy h LYS 75 Ca 0.07 -0.13 -0.09 0.00 -1.06 0.00 0.00 60.65 59.44 2joy h LYS 75 Cb 0.94 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.60 2joy h LYS 75 CO 0.09 0.74 -0.42 -0.07 -2.06 0.00 0.00 179.45 177.72 2joy h LEU 76 N 0.14 0.01 -0.88 2.94 4.07 -0.06 -1.04 115.31 120.49 2joy h LEU 76 Ca -0.01 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.86 2joy h LEU 76 Cb 1.10 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.82 2joy h LEU 76 CO 0.09 0.43 -0.14 -0.33 -1.08 0.00 0.00 178.44 177.40 2joy h GLU 77 N 0.01 0.67 -0.01 1.13 4.39 -0.43 0.50 114.58 120.84 2joy h GLU 77 Ca -0.00 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 2joy h GLU 77 Cb 0.75 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2joy h GLU 77 CO 0.05 0.79 -0.01 0.93 -1.16 0.00 0.00 179.01 179.61 2joy h GLU 78 N 0.61 0.03 0.00 2.33 4.39 -0.78 -3.31 114.58 117.84 2joy h GLU 78 Ca 0.10 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2joy h GLU 78 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2joy h GLU 78 CO 0.04 0.55 -0.58 0.43 -1.16 0.00 0.00 179.01 178.29 2joy n SER 79 N -4.81 0.56 -2.04 1.42 7.64 -0.45 -4.93 113.62 111.00 2joy n SER 79 Ca -0.08 -0.24 -0.20 0.00 1.01 0.00 0.00 58.87 59.36 2joy n SER 79 Cb 0.28 0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.76 2joy n SER 79 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2joy n ASN 80 N -1.61 -5.61 -0.35 6.43 5.03 0.17 -4.85 115.26 114.47 2joy n ASN 80 Ca 0.05 0.14 0.04 0.00 0.87 0.00 0.00 54.58 55.68 2joy n ASN 80 Cb 0.36 -4.71 0.15 0.00 -1.02 0.00 0.00 39.78 34.55 2joy n ASN 80 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2joy n LEU 81 N -2.68 1.02 0.32 3.41 7.94 -1.08 -3.99 117.00 121.94 2joy n LEU 81 Ca -0.23 -0.50 0.19 0.00 -1.11 0.00 0.00 56.01 54.37 2joy n LEU 81 Cb 0.67 -0.12 1.06 0.00 0.53 0.00 0.00 43.42 45.56 2joy n LEU 81 CO 0.28 0.25 1.14 0.74 -1.11 0.00 0.00 177.39 178.69 2joy h THR 82 N 1.16 0.22 0.14 1.96 2.02 -1.89 -2.55 112.91 113.96 2joy h THR 82 Ca 0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2joy h THR 82 Cb 0.26 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2joy h THR 82 CO 0.00 0.01 -0.06 -0.08 0.37 0.00 0.00 175.52 175.76 2joy h GLU 83 N 0.00 -0.18 -0.42 6.66 4.81 -1.95 -2.66 114.58 120.85 2joy h GLU 83 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2joy h GLU 83 Cb 0.06 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2joy h GLU 83 CO 0.00 0.20 0.15 -0.92 -0.73 0.00 0.00 179.01 177.71 2joy h TYR 84 N -0.59 0.60 0.00 0.92 3.20 -1.78 -0.56 116.97 118.76 2joy h TYR 84 Ca -0.02 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2joy h TYR 84 Cb 0.45 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 2joy h TYR 84 CO 0.05 0.49 -0.03 0.52 -1.64 0.00 0.00 178.16 177.55 2joy h MET 85 N 0.60 0.00 0.00 1.82 2.86 -1.52 -3.09 114.93 115.60 2joy h MET 85 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2joy h MET 85 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2joy h MET 85 CO -0.01 0.03 -1.70 1.17 1.06 0.00 0.00 176.91 177.46 2joy n LYS 86 N -3.11 0.50 -1.76 1.72 4.81 -0.87 -4.51 118.16 114.94 2joy n LYS 86 Ca 0.03 -0.14 -0.42 0.00 -0.87 0.00 0.00 58.31 56.91 2joy n LYS 86 Cb 0.48 -1.53 -0.03 0.00 0.02 0.00 0.00 35.03 33.97 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 -3.39 4.15 -0.36 1.64 2.56 -0.27 -4.95 118.70 118.08 2joy s GLU 87 Ca -0.04 2.51 -0.09 0.00 0.00 0.00 0.00 54.97 57.36 2joy s GLU 87 Cb 0.14 -4.02 0.03 0.00 2.00 0.00 0.00 34.13 32.29 2joy s GLU 87 CO 0.89 -0.91 0.16 0.21 -0.56 0.00 0.00 175.26 175.06 2joy s LYS 88 N 4.04 2.72 -0.06 4.30 2.20 -1.26 -4.91 119.74 126.76 2joy s LYS 88 Ca 0.84 -1.14 0.03 0.00 -0.36 0.00 0.00 55.97 55.34 2joy s LYS 88 Cb -0.41 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.28 2joy s LYS 88 CO 0.38 -0.69 -0.14 0.42 -0.36 0.00 0.00 175.35 174.96 2joy s ILE 89 N 1.48 3.07 -1.48 5.43 1.09 -1.26 -4.67 121.20 124.86 2joy s ILE 89 Ca 0.00 -0.71 -0.12 0.00 -1.10 0.00 0.00 60.65 58.73 2joy s ILE 89 Cb -0.19 -2.22 0.07 0.00 -1.06 0.00 0.00 42.46 39.06 2joy s ILE 89 CO 0.05 0.58 0.90 0.29 -0.10 0.00 0.00 174.94 176.65 2joy n LYS 90 N 2.51 -5.46 -3.84 2.79 4.76 -1.26 -0.54 118.16 117.12 2joy n LYS 90 Ca -0.17 0.65 -0.29 0.00 -2.87 0.00 0.00 58.31 55.62 2joy n LYS 90 Cb 0.52 -5.53 -0.13 0.00 -1.84 0.00 0.00 35.03 28.05 2joy n LYS 90 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2joy s ILE 91 N -3.23 2.15 -0.30 -0.18 1.01 -1.26 -4.62 121.20 114.78 2joy s ILE 91 Ca 0.58 -3.22 -0.08 0.00 0.00 0.00 0.00 60.65 57.94 2joy s ILE 91 Cb -0.28 -2.48 0.14 0.00 0.01 0.00 0.00 42.46 39.85 2joy s ILE 91 CO 0.71 -0.89 0.63 -0.60 0.00 0.00 0.00 174.94 174.79 2joy s ARG 92 N -0.28 0.57 -0.09 2.79 3.52 -1.26 -5.12 118.95 119.08 2joy s ARG 92 Ca 0.19 1.34 0.02 0.00 -0.13 0.00 0.00 55.73 57.15 2joy s ARG 92 Cb -0.20 0.78 -0.02 0.00 -1.56 0.00 0.00 34.95 33.95 2joy s ARG 92 CO -0.04 -0.30 -0.15 -1.64 -0.81 0.00 0.00 175.30 172.37 2joy s MET 93 N 2.88 2.99 -0.56 5.12 -1.94 -1.26 -5.05 119.30 121.48 2joy s MET 93 Ca 0.00 -0.71 -0.26 0.00 -1.71 0.00 0.00 55.69 53.01 2joy s MET 93 Cb -0.13 -2.49 -0.09 0.00 2.01 0.00 0.00 34.83 34.13 2joy s MET 93 CO -0.19 0.38 2.42 -2.30 -0.01 0.00 0.00 175.02 175.32 2joy n PRO 94 N 3.03 0.93 -4.89 2.03 -0.02 -1.26 -4.92 135.00 129.90 2joy n PRO 94 Ca -0.18 -0.18 -0.29 0.00 -2.02 0.00 0.00 63.50 60.83 2joy n PRO 94 Cb 0.52 -3.49 -0.15 0.00 -0.02 0.00 0.00 33.50 30.37 2joy n PRO 94 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2joy s THR 95 N 12.79 1.94 0.00 3.45 2.01 -1.26 -5.37 115.64 129.20 2joy s THR 95 Ca 0.97 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 61.72 2joy s THR 95 Cb -0.17 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.68 2joy s THR 95 CO 0.23 0.36 0.17 -0.11 -0.69 0.00 0.00 174.62 174.58