#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 2.81 -0.57 0.03 0.04 -1.26 -4.94 135.00 131.12 2joy s PRO 2 Ca 0.00 1.18 -0.28 0.00 0.04 0.00 0.00 61.00 61.94 2joy s PRO 2 Cb 0.00 -4.36 0.03 0.00 0.04 0.00 0.00 34.50 30.21 2joy s PRO 2 CO 0.00 -2.48 1.19 0.00 0.04 0.00 0.00 177.00 175.75 2joy s ALA 3 N 8.88 3.01 -0.12 8.56 0.00 -1.26 -4.41 121.76 136.42 2joy s ALA 3 Ca 0.81 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 2joy s ALA 3 Cb -0.19 -4.02 0.02 0.00 0.00 0.00 0.00 23.12 18.93 2joy s ALA 3 CO 0.28 -2.62 0.10 -0.89 0.00 0.00 0.00 175.76 172.63 2joy n ILE 4 N 6.70 -8.24 -3.95 0.00 5.41 -1.26 -5.10 119.36 112.91 2joy n ILE 4 Ca 0.09 1.40 -0.09 0.00 1.00 0.00 0.00 62.75 65.15 2joy n ILE 4 Cb 0.49 -5.34 -0.09 0.00 -0.71 0.00 0.00 39.64 33.99 2joy n ILE 4 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2joy s GLU 5 N -0.84 0.65 0.37 0.38 2.12 -1.26 -5.12 118.70 114.99 2joy s GLU 5 Ca -0.11 -0.90 -0.28 0.00 0.36 0.00 0.00 54.97 54.03 2joy s GLU 5 Cb 0.01 0.25 -0.11 0.00 0.26 0.00 0.00 34.13 34.54 2joy s GLU 5 CO 0.44 -0.16 1.45 0.14 -0.54 0.00 0.00 175.26 176.59 2joy s VAL 6 N -3.17 2.19 0.00 3.70 -7.23 -1.26 -2.37 120.40 112.26 2joy s VAL 6 Ca -0.00 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 2joy s VAL 6 Cb 0.02 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.84 2joy s VAL 6 CO -0.07 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 2joy n GLY 7 N 0.55 1.55 3.77 2.32 0.00 0.66 -4.50 105.19 109.55 2joy n GLY 7 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.42 4.12 0.05 1.61 3.52 -1.00 -0.61 118.95 126.21 2joy s ARG 8 Ca 0.00 0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.59 2joy s ARG 8 Cb 0.00 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 2joy s ARG 8 CO 0.00 0.39 0.93 0.42 -0.81 0.00 0.00 175.30 176.23 2joy s ILE 9 N -0.07 4.71 0.20 4.11 1.09 -1.25 -2.12 121.20 127.86 2joy s ILE 9 Ca 0.21 1.98 0.11 0.00 -1.10 0.00 0.00 60.65 61.85 2joy s ILE 9 Cb -0.15 -4.28 -0.04 0.00 -1.06 0.00 0.00 42.46 36.93 2joy s ILE 9 CO 0.09 0.26 -0.21 0.00 -0.10 0.00 0.00 174.94 174.98 2joy s VAL 11 N -1.73 3.65 -0.59 0.00 0.11 -0.30 -0.43 120.40 121.11 2joy s VAL 11 Ca 0.22 -0.76 -0.27 0.00 -2.93 0.00 0.00 61.98 58.24 2joy s VAL 11 Cb -0.08 -2.58 -0.00 0.00 -1.53 0.00 0.00 36.38 32.18 2joy s VAL 11 CO 0.11 0.40 1.66 -0.75 -3.33 0.00 0.00 175.10 173.20 2joy s LYS 12 N -1.39 2.94 -0.60 1.54 2.36 -0.87 -3.19 119.74 120.53 2joy s LYS 12 Ca 0.17 0.53 0.05 0.00 -2.55 0.00 0.00 55.97 54.17 2joy s LYS 12 Cb -0.11 -4.27 0.32 0.00 -1.05 0.00 0.00 37.83 32.71 2joy s LYS 12 CO 0.07 -2.37 0.92 1.55 1.55 0.00 0.00 175.35 177.08 2joy n VAL 13 N 7.02 2.99 0.00 4.02 3.14 -1.07 -4.48 118.33 129.95 2joy n VAL 13 Ca 0.16 -5.52 0.00 0.00 -2.96 0.00 0.00 64.34 56.02 2joy n VAL 13 Cb 0.50 -1.56 0.00 0.00 -1.06 0.00 0.00 33.84 31.72 2joy n VAL 13 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2joy n LYS 14 N 0.01 0.16 0.00 1.45 0.00 -1.26 -4.79 118.16 113.73 2joy n LYS 14 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.62 2joy n LYS 14 Cb 0.39 -0.79 0.00 0.00 0.00 0.00 0.00 35.03 34.63 2joy n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2joy n GLY 15 N 2.60 1.49 0.00 3.14 0.00 -1.26 -5.04 105.19 106.13 2joy n GLY 15 Ca 0.00 -1.79 0.05 0.00 0.00 0.00 0.00 46.02 44.28 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 1.42 -3.19 1.61 0.63 -1.26 -4.85 116.66 111.02 2joy n ARG 16 Ca 0.00 -0.06 -0.45 0.00 -0.92 0.00 0.00 57.85 56.42 2joy n ARG 16 Cb 0.00 -1.14 -0.05 0.00 0.45 0.00 0.00 32.46 31.72 2joy n ARG 16 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2joy s GLU 17 N -2.43 3.04 -0.32 -0.14 1.03 -1.26 -4.89 118.70 113.73 2joy s GLU 17 Ca -0.01 -1.31 0.10 0.00 0.03 0.00 0.00 54.97 53.78 2joy s GLU 17 Cb 0.06 -4.22 0.73 0.00 -0.80 0.00 0.00 34.13 29.90 2joy s GLU 17 CO 0.40 -1.38 1.78 0.00 -1.33 0.00 0.00 175.26 174.72 2joy n ALA 18 N 5.97 4.52 0.15 -0.84 0.00 -1.22 -4.42 120.51 124.67 2joy n ALA 18 Ca -0.10 -2.41 -0.00 0.00 0.00 0.00 0.00 53.44 50.93 2joy n ALA 18 Cb 0.43 -1.20 0.15 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.26 2.38 3.06 0.00 0.00 -0.93 -4.54 105.19 104.90 2joy n GLY 19 Ca 0.40 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.25 4.98 -0.17 1.61 0.01 -1.26 -4.79 113.70 113.84 2joy s SER 20 Ca 0.24 -2.19 -0.14 0.00 1.31 0.00 0.00 55.95 55.17 2joy s SER 20 Cb 0.19 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.64 2joy s SER 20 CO 0.06 -0.44 0.31 -0.54 0.41 0.00 0.00 173.24 173.04 2joy s LYS 21 N 0.89 4.23 0.02 12.44 1.02 -1.26 -2.06 119.74 135.02 2joy s LYS 21 Ca 0.10 0.10 0.05 0.00 0.02 0.00 0.00 55.97 56.25 2joy s LYS 21 Cb -0.21 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 2joy s LYS 21 CO -0.06 0.16 -0.16 0.00 -0.92 0.00 0.00 175.35 174.37 2joy s VAL 23 N -0.63 5.35 -0.66 0.00 1.01 0.11 0.38 120.40 125.96 2joy s VAL 23 Ca 0.05 0.41 -0.27 0.00 0.00 0.00 0.00 61.98 62.17 2joy s VAL 23 Cb -0.07 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 2joy s VAL 23 CO 0.01 0.47 1.66 -0.63 0.00 0.00 0.00 175.10 176.61 2joy s ILE 24 N -0.06 3.48 -0.12 2.22 1.01 -0.90 -2.41 121.20 124.43 2joy s ILE 24 Ca 0.15 0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.84 2joy s ILE 24 Cb -0.13 -4.29 -0.27 0.00 0.01 0.00 0.00 42.46 37.79 2joy s ILE 24 CO 0.03 -1.24 0.64 0.58 0.00 0.00 0.00 174.94 174.95 2joy h VAL 25 N 6.60 1.32 -3.30 2.92 2.07 -1.24 0.19 116.25 124.81 2joy h VAL 25 Ca -0.26 -2.38 -0.29 0.00 0.82 0.00 0.00 66.70 64.59 2joy h VAL 25 Cb 1.12 2.93 -0.34 0.00 -1.52 0.00 0.00 31.29 33.47 2joy h VAL 25 CO 1.24 0.62 -0.67 -0.62 0.02 0.00 0.00 177.57 178.16 2joy s ASP 26 N -6.78 0.33 -0.46 0.57 2.15 -1.16 -0.52 116.67 110.79 2joy s ASP 26 Ca -0.20 0.20 -0.25 0.00 0.43 0.00 0.00 52.55 52.74 2joy s ASP 26 Cb 0.02 0.08 0.03 0.00 -0.30 0.00 0.00 42.92 42.75 2joy s ASP 26 CO 0.73 -0.18 0.90 -0.63 -0.17 0.00 0.00 175.17 175.83 2joy s ILE 27 N 1.56 4.50 -0.17 4.11 1.01 -1.26 -0.27 121.20 130.67 2joy s ILE 27 Ca -0.04 0.67 -0.15 0.00 0.00 0.00 0.00 60.65 61.13 2joy s ILE 27 Cb -0.12 -4.42 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 2joy s ILE 27 CO -0.05 -0.83 -0.28 -0.38 0.00 0.00 0.00 174.94 173.40 2joy n ILE 28 N 6.37 1.47 -2.85 2.92 5.41 -1.20 -4.99 119.36 126.48 2joy n ILE 28 Ca 0.05 0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.97 2joy n ILE 28 Cb 0.48 -2.36 0.00 0.00 -0.71 0.00 0.00 39.64 37.05 2joy n ILE 28 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2joy n ASP 29 N -4.52 1.02 -0.05 4.38 2.03 0.14 -5.02 116.55 114.54 2joy n ASP 29 Ca -0.12 -0.34 -0.13 0.00 0.52 0.00 0.00 54.79 54.72 2joy n ASP 29 Cb 0.43 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.69 2joy n ASP 29 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2joy n ASP 30 N -0.67 1.16 -0.26 1.67 -0.08 -1.26 -4.36 116.55 112.75 2joy n ASP 30 Ca 0.00 0.19 0.03 0.00 -1.51 0.00 0.00 54.79 53.50 2joy n ASP 30 Cb 0.00 -0.08 0.03 0.00 2.34 0.00 0.00 41.12 43.41 2joy n ASP 30 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2joy n ASN 31 N -3.12 1.64 -3.92 1.67 5.15 -1.26 -4.89 115.26 110.54 2joy n ASN 31 Ca -0.28 -1.36 -0.26 0.00 -0.60 0.00 0.00 54.58 52.08 2joy n ASN 31 Cb 1.07 -0.02 -0.17 0.00 -0.53 0.00 0.00 39.78 40.13 2joy n ASN 31 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2joy s PHE 32 N -0.58 1.47 0.27 1.20 0.08 -1.26 -1.42 117.98 117.74 2joy s PHE 32 Ca 0.08 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.44 2joy s PHE 32 Cb 0.05 -1.21 -0.05 0.00 -0.57 0.00 0.00 43.02 41.24 2joy s PHE 32 CO 0.08 -0.48 0.06 0.14 -0.10 0.00 0.00 175.22 174.92 2joy s VAL 33 N 1.57 0.83 -0.34 -0.44 -7.23 -1.25 0.27 120.40 113.81 2joy s VAL 33 Ca 0.02 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.02 2joy s VAL 33 Cb -0.13 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 2joy s VAL 33 CO -0.07 -0.07 0.47 -0.22 -0.31 0.00 0.00 175.10 174.90 2joy s LEU 34 N -3.36 4.33 0.03 1.32 0.20 0.63 -4.14 118.68 117.69 2joy s LEU 34 Ca 0.35 -0.03 0.07 0.00 0.69 0.00 0.00 54.13 55.22 2joy s LEU 34 Cb 0.08 -2.52 -0.02 0.00 -0.43 0.00 0.00 46.19 43.29 2joy s LEU 34 CO 0.13 -0.42 -0.20 0.68 -0.29 0.00 0.00 176.35 176.25 2joy s VAL 35 N 2.28 1.63 0.05 1.68 -7.23 -1.26 -0.66 120.40 116.90 2joy s VAL 35 Ca 0.17 -1.10 -0.13 0.00 -1.81 0.00 0.00 61.98 59.11 2joy s VAL 35 Cb -0.16 -1.41 0.04 0.00 0.56 0.00 0.00 36.38 35.42 2joy s VAL 35 CO 0.12 0.27 0.60 1.07 -0.31 0.00 0.00 175.10 176.85 2joy n THR 36 N 2.05 0.00 -4.17 5.32 5.66 -1.01 -4.08 114.28 118.05 2joy n THR 36 Ca -0.17 -0.21 -0.16 0.00 -3.05 0.00 0.00 64.05 60.46 2joy n THR 36 Cb 0.53 0.36 -0.15 0.00 -1.55 0.00 0.00 70.33 69.53 2joy n THR 36 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2joy s GLY 37 N -2.95 0.28 0.09 1.09 0.00 -1.26 0.09 107.32 104.66 2joy s GLY 37 Ca 0.14 -0.21 -0.36 0.00 0.00 0.00 0.00 44.72 44.29 2joy s GLY 37 CO 0.02 -0.12 1.05 -1.05 0.00 0.00 0.00 173.10 172.99 2joy n PRO 38 N 3.07 0.47 0.00 2.90 -0.02 -1.26 -3.25 135.00 136.91 2joy n PRO 38 Ca -0.14 0.17 0.12 0.00 -2.02 0.00 0.00 63.50 61.63 2joy n PRO 38 Cb 0.57 -1.61 0.57 0.00 -0.02 0.00 0.00 33.50 33.01 2joy n PRO 38 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2joy n LYS 39 N 1.64 0.11 0.00 -0.52 -0.00 -1.26 -0.02 118.16 118.12 2joy n LYS 39 Ca 0.18 0.06 0.09 0.00 -0.00 0.00 0.00 58.31 58.65 2joy n LYS 39 Cb 0.17 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.70 2joy n LYS 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2joy n ASP 40 N -1.44 1.87 0.04 -5.58 8.00 -1.26 -4.61 116.55 113.57 2joy n ASP 40 Ca 0.08 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.15 2joy n ASP 40 Cb 0.27 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 2joy n ASP 40 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2joy n ILE 41 N -0.00 0.77 -0.12 0.53 5.41 -0.51 -4.97 119.36 120.46 2joy n ILE 41 Ca 0.08 0.26 -0.25 0.00 1.00 0.00 0.00 62.75 63.83 2joy n ILE 41 Cb 0.40 -1.31 -0.09 0.00 -0.71 0.00 0.00 39.64 37.93 2joy n ILE 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2joy n THR 42 N -3.18 1.52 -1.79 1.39 -1.04 0.98 -4.98 114.28 107.19 2joy n THR 42 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2joy n THR 42 Cb 0.00 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 2joy n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2joy n GLY 43 N 1.32 0.58 3.88 3.41 0.00 -0.36 -5.00 105.19 109.02 2joy n GLY 43 Ca -0.44 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.93 5.15 0.17 1.61 1.01 -1.20 -4.99 120.40 119.22 2joy s VAL 44 Ca 0.00 0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 2joy s VAL 44 Cb 0.00 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 2joy s VAL 44 CO 0.00 0.20 0.87 -0.54 0.00 0.00 0.00 175.10 175.63 2joy s LYS 45 N -2.18 4.69 -0.32 2.72 3.01 -1.26 -4.41 119.74 122.00 2joy s LYS 45 Ca 0.35 1.32 -0.28 0.00 -1.01 0.00 0.00 55.97 56.35 2joy s LYS 45 Cb -0.13 -3.30 0.01 0.00 -1.01 0.00 0.00 37.83 33.40 2joy s LYS 45 CO 0.20 0.45 1.04 0.50 0.51 0.00 0.00 175.35 178.05 2joy s ARG 46 N -0.83 4.06 -0.01 1.68 3.52 -1.26 -4.85 118.95 121.26 2joy s ARG 46 Ca 0.40 1.02 -0.13 0.00 -0.13 0.00 0.00 55.73 56.88 2joy s ARG 46 Cb -0.24 -3.73 0.02 0.00 -1.56 0.00 0.00 34.95 29.44 2joy s ARG 46 CO 0.29 -0.87 0.27 1.03 -0.81 0.00 0.00 175.30 175.21 2joy s ARG 47 N 3.55 0.63 -0.23 5.12 0.52 -1.26 -5.12 118.95 122.15 2joy s ARG 47 Ca 0.44 -0.25 -0.07 0.00 -0.52 0.00 0.00 55.73 55.33 2joy s ARG 47 Cb -0.12 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.59 2joy s ARG 47 CO 0.15 -0.17 0.07 1.03 0.02 0.00 0.00 175.30 176.39 2joy s ARG 48 N -1.37 3.71 0.38 3.54 0.52 -1.26 -4.08 118.95 120.40 2joy s ARG 48 Ca -0.14 -0.46 0.04 0.00 -0.52 0.00 0.00 55.73 54.66 2joy s ARG 48 Cb -0.06 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 2joy s ARG 48 CO 0.04 -0.09 0.13 0.14 0.02 0.00 0.00 175.30 175.53 2joy s VAL 49 N 1.36 0.60 -0.02 3.52 -7.23 -1.26 -4.99 120.40 112.38 2joy s VAL 49 Ca 0.05 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.92 2joy s VAL 49 Cb -0.15 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 2joy s VAL 49 CO 0.03 0.00 1.09 0.20 -0.31 0.00 0.00 175.10 176.11 2joy s ASN 50 N -3.55 7.20 0.00 4.85 -0.87 -1.25 -3.88 114.94 117.44 2joy s ASN 50 Ca 0.27 1.76 0.19 0.00 -1.57 0.00 0.00 52.86 53.51 2joy s ASN 50 Cb 0.03 -2.57 1.05 0.00 -0.02 0.00 0.00 41.25 39.75 2joy s ASN 50 CO 0.16 -0.42 1.56 2.30 -2.57 0.00 0.00 177.10 178.12 2joy n ILE 51 N 4.20 0.23 0.30 0.60 -6.64 -0.51 -3.27 119.36 114.27 2joy n ILE 51 Ca 0.08 0.06 0.19 0.00 -1.77 0.00 0.00 62.75 61.31 2joy n ILE 51 Cb 0.48 -0.75 0.95 0.00 -1.44 0.00 0.00 39.64 38.88 2joy n ILE 51 CO 0.00 0.00 0.00 -0.07 -1.77 0.00 0.00 176.55 174.71 2joy h LEU 52 N 0.00 0.00 -3.11 7.28 3.38 -1.91 -1.63 115.31 119.31 2joy h LEU 52 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2joy h LEU 52 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2joy h LEU 52 CO 0.00 0.02 -0.07 1.41 0.09 0.00 0.00 178.44 179.89 2joy n HIS 53 N -3.22 0.39 -4.71 1.13 8.25 -1.20 -4.94 115.22 110.91 2joy n HIS 53 Ca -0.02 -1.10 -0.33 0.00 -0.26 0.00 0.00 57.72 56.02 2joy n HIS 53 Cb 0.18 -0.25 -0.16 0.00 1.12 0.00 0.00 29.99 30.88 2joy n HIS 53 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2joy s LEU 54 N -2.96 2.31 -0.06 2.41 2.01 -0.62 -2.60 118.68 119.17 2joy s LEU 54 Ca 0.37 -0.52 0.06 0.00 0.01 0.00 0.00 54.13 54.05 2joy s LEU 54 Cb 0.32 -1.50 -0.01 0.00 0.01 0.00 0.00 46.19 45.01 2joy s LEU 54 CO 0.03 0.10 -0.25 -1.61 1.01 0.00 0.00 176.35 175.64 2joy s GLU 55 N 0.70 2.60 0.61 1.70 2.02 -1.19 -4.94 118.70 120.19 2joy s GLU 55 Ca -0.09 -0.89 -0.15 0.00 0.02 0.00 0.00 54.97 53.86 2joy s GLU 55 Cb -0.16 -2.16 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 2joy s GLU 55 CO 0.01 0.35 1.07 -2.14 0.02 0.00 0.00 175.26 174.57 2joy s PRO 56 N -0.08 3.20 0.06 0.39 0.02 -1.26 -1.15 135.00 136.18 2joy s PRO 56 Ca -0.06 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.17 2joy s PRO 56 Cb -0.14 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.37 2joy s PRO 56 CO 0.04 -0.91 0.09 0.25 -0.33 0.00 0.00 177.00 176.14 2joy n THR 57 N -2.19 0.00 0.31 0.99 -2.24 0.71 -4.87 114.28 106.99 2joy n THR 57 Ca 0.09 -0.15 -0.17 0.00 -2.27 0.00 0.00 64.05 61.56 2joy n THR 57 Cb 0.53 -1.28 -0.09 0.00 -2.10 0.00 0.00 70.33 67.40 2joy n THR 57 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2joy h ASP 58 N -0.04 -0.65 -1.85 3.42 3.32 -1.98 -3.47 116.42 115.17 2joy h ASP 58 Ca -0.03 -0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.46 2joy h ASP 58 Cb 0.11 0.17 -0.09 0.00 0.22 0.00 0.00 39.33 39.74 2joy h ASP 58 CO 0.03 -0.42 -0.55 -0.54 -1.72 0.00 0.00 179.24 176.04 2joy s LYS 59 N -5.78 2.27 0.04 3.56 1.02 -1.26 -5.09 119.74 114.49 2joy s LYS 59 Ca -0.17 -1.65 -0.02 0.00 0.02 0.00 0.00 55.97 54.15 2joy s LYS 59 Cb 0.03 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 2joy s LYS 59 CO 0.60 0.08 0.00 -1.59 -0.92 0.00 0.00 175.35 173.52 2joy s LYS 60 N -3.82 0.54 -0.23 1.68 -2.85 -1.26 -3.94 119.74 109.86 2joy s LYS 60 Ca 0.37 -0.97 -0.07 0.00 -1.00 0.00 0.00 55.97 54.31 2joy s LYS 60 Cb -0.01 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 35.93 2joy s LYS 60 CO 0.22 -0.11 0.05 0.96 0.10 0.00 0.00 175.35 176.57 2joy s ILE 61 N -3.06 4.26 -0.70 3.79 -4.36 0.22 -4.94 121.20 116.40 2joy s ILE 61 Ca -0.01 -0.20 -0.27 0.00 -0.26 0.00 0.00 60.65 59.91 2joy s ILE 61 Cb 0.02 -2.97 0.03 0.00 1.25 0.00 0.00 42.46 40.79 2joy s ILE 61 CO -0.07 0.38 1.32 -0.62 0.24 0.00 0.00 174.94 176.19 2joy s ASP 62 N 1.30 6.13 0.43 4.36 2.15 -1.26 -4.09 116.67 125.69 2joy s ASP 62 Ca 0.05 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.76 2joy s ASP 62 Cb -0.15 -2.56 -0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2joy s ASP 62 CO 0.03 -1.82 0.00 2.30 -0.17 0.00 0.00 175.17 175.51 2joy n ILE 63 N 6.52 0.00 -3.12 4.11 -5.35 -1.26 -5.08 119.36 115.17 2joy n ILE 63 Ca 0.06 -2.03 -0.33 0.00 -0.27 0.00 0.00 62.75 60.17 2joy n ILE 63 Cb 0.49 0.42 -0.06 0.00 -1.74 0.00 0.00 39.64 38.75 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 -3.55 4.04 -0.30 6.28 -1.52 -1.26 -4.87 119.66 118.49 2joy s GLN 64 Ca 0.01 0.71 -0.28 0.00 -1.95 0.00 0.00 55.36 53.84 2joy s GLN 64 Cb 0.00 -2.48 -0.02 0.00 -0.22 0.00 0.00 33.01 30.29 2joy s GLN 64 CO 0.00 0.18 1.87 0.21 -0.25 0.00 0.00 175.29 177.31 2joy s LYS 65 N -2.86 3.32 0.00 2.91 2.20 -1.26 -2.67 119.74 121.38 2joy s LYS 65 Ca 0.53 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 2joy s LYS 65 Cb -0.11 -4.22 0.00 0.00 -1.51 0.00 0.00 37.83 31.99 2joy s LYS 65 CO 0.18 -1.88 0.00 0.41 -0.36 0.00 0.00 175.35 173.70 2joy n GLY 66 N 5.46 0.75 3.93 5.54 0.00 0.32 -4.93 105.19 116.27 2joy n GLY 66 Ca 0.24 -0.15 -0.28 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 -1.90 2.70 0.38 4.61 0.00 -1.09 -5.00 121.76 121.46 2joy s ALA 67 Ca 0.00 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 50.93 2joy s ALA 67 Cb 0.00 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 2joy s ALA 67 CO 0.00 -1.93 0.34 -1.12 0.00 0.00 0.00 175.76 173.05 2joy s SER 68 N -4.73 5.17 0.22 0.00 0.01 -1.26 -4.96 113.70 108.14 2joy s SER 68 Ca 0.68 -0.62 -0.08 0.00 1.31 0.00 0.00 55.95 57.23 2joy s SER 68 Cb -0.07 -0.77 0.34 0.00 0.21 0.00 0.00 66.02 65.73 2joy s SER 68 CO 0.49 -0.50 1.71 -0.78 0.41 0.00 0.00 173.24 174.57 2joy h ASP 69 N 1.14 0.05 -0.74 2.44 3.58 -1.99 -2.44 116.42 118.45 2joy h ASP 69 Ca -0.43 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 2joy h ASP 69 Cb 1.26 0.15 -0.04 0.00 1.72 0.00 0.00 39.33 42.42 2joy h ASP 69 CO 0.58 0.02 0.44 -0.08 -2.88 0.00 0.00 179.24 177.31 2joy h GLU 70 N 0.29 1.02 -0.07 0.28 4.57 -1.98 0.84 114.58 119.52 2joy h GLU 70 Ca 0.34 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 2joy h GLU 70 Cb 0.51 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2joy h GLU 70 CO -0.41 0.73 -0.01 1.49 -1.18 0.00 0.00 179.01 179.63 2joy h GLU 71 N 1.02 0.14 -0.36 1.92 4.57 -1.86 0.51 114.58 120.51 2joy h GLU 71 Ca 0.26 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 2joy h GLU 71 Cb -0.01 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 2joy h GLU 71 CO -0.05 0.45 0.17 0.28 -1.18 0.00 0.00 179.01 178.68 2joy h VAL 72 N -0.18 0.96 -0.20 0.32 2.07 -1.25 0.17 116.25 118.13 2joy h VAL 72 Ca 0.02 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2joy h VAL 72 Cb 0.39 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2joy h VAL 72 CO 0.01 0.06 0.02 0.50 0.02 0.00 0.00 177.57 178.17 2joy h LYS 73 N 0.35 0.08 -0.45 1.57 3.64 -0.74 0.15 116.57 121.16 2joy h LYS 73 Ca 0.16 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2joy h LYS 73 Cb 0.09 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2joy h LYS 73 CO -0.12 0.06 0.04 -0.22 -2.27 0.00 0.00 179.45 176.93 2joy h LYS 74 N 0.09 0.77 -1.01 1.90 3.64 -0.53 -1.85 116.57 119.58 2joy h LYS 74 Ca 0.09 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2joy h LYS 74 Cb 0.11 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2joy h LYS 74 CO -0.15 0.81 0.67 -0.22 -2.27 0.00 0.00 179.45 178.29 2joy h LYS 75 N 0.63 1.32 0.07 1.90 1.63 -0.36 0.59 116.57 122.34 2joy h LYS 75 Ca 0.13 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2joy h LYS 75 Cb 0.44 -0.30 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2joy h LYS 75 CO 0.02 0.87 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.78 2joy h LEU 76 N 1.36 -0.08 0.08 5.20 3.38 -0.71 -0.82 115.31 123.71 2joy h LEU 76 Ca 0.37 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 2joy h LEU 76 Cb -0.14 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2joy h LEU 76 CO -0.09 -0.03 -0.04 -0.08 0.09 0.00 0.00 178.44 178.30 2joy h GLU 77 N -0.12 -0.10 -0.79 1.13 4.81 -0.81 0.20 114.58 118.89 2joy h GLU 77 Ca -0.01 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2joy h GLU 77 Cb 0.10 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 2joy h GLU 77 CO 0.02 0.00 0.52 1.49 -0.73 0.00 0.00 179.01 180.31 2joy h GLU 78 N -0.18 0.96 -0.02 1.92 4.81 0.26 -0.37 114.58 121.96 2joy h GLU 78 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2joy h GLU 78 Cb 0.15 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2joy h GLU 78 CO 0.02 0.63 -0.12 0.43 -0.73 0.00 0.00 179.01 179.24 2joy n SER 79 N -4.45 1.79 -1.78 1.04 7.64 -0.32 -4.93 113.62 112.61 2joy n SER 79 Ca 0.10 -1.47 -0.17 0.00 1.01 0.00 0.00 58.87 58.34 2joy n SER 79 Cb 0.10 0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.22 -5.02 -0.78 6.43 5.03 -0.15 -4.87 115.26 116.12 2joy n ASN 80 Ca 0.15 0.09 0.05 0.00 0.87 0.00 0.00 54.58 55.74 2joy n ASN 80 Cb 0.42 -4.09 0.16 0.00 -1.02 0.00 0.00 39.78 35.25 2joy n ASN 80 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2joy n LEU 81 N -2.32 2.22 -0.31 3.41 7.99 0.57 -4.17 117.00 124.39 2joy n LEU 81 Ca -0.19 -1.12 -0.03 0.00 -0.01 0.00 0.00 56.01 54.66 2joy n LEU 81 Cb 0.63 -0.33 0.09 0.00 -0.11 0.00 0.00 43.42 43.70 2joy n LEU 81 CO 0.24 0.45 1.23 0.74 -1.51 0.00 0.00 177.39 178.53 2joy h THR 82 N 1.95 1.19 0.10 -5.08 2.02 -1.87 -2.74 112.91 108.49 2joy h THR 82 Ca 0.00 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2joy h THR 82 Cb 0.67 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2joy h THR 82 CO 0.07 0.20 -0.05 -0.33 0.37 0.00 0.00 175.52 175.78 2joy h GLU 83 N 1.12 -0.13 0.00 6.66 4.39 -1.92 0.27 114.58 124.97 2joy h GLU 83 Ca 0.32 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 2joy h GLU 83 Cb -0.09 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2joy h GLU 83 CO -0.08 -0.05 -0.02 -0.92 -1.16 0.00 0.00 179.01 176.77 2joy h TYR 84 N -0.17 0.00 0.01 4.33 3.20 -1.82 -1.46 116.97 121.06 2joy h TYR 84 Ca -0.01 0.00 -0.41 0.00 3.14 0.00 0.00 58.73 61.44 2joy h TYR 84 Cb 0.14 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 2joy h TYR 84 CO -0.06 0.02 -2.37 -0.12 -1.64 0.00 0.00 178.16 173.99 2joy n MET 85 N -3.17 0.62 0.07 1.82 1.56 -1.03 -4.43 117.12 112.55 2joy n MET 85 Ca -0.01 0.25 0.01 0.00 -0.27 0.00 0.00 57.70 57.68 2joy n MET 85 Cb 0.20 -1.54 0.35 0.00 2.15 0.00 0.00 33.22 34.39 2joy n MET 85 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 2joy h LYS 86 N -0.59 0.37 -6.81 2.12 1.63 -0.38 -3.43 116.57 109.48 2joy h LYS 86 Ca -0.61 -0.08 -0.53 0.00 -0.85 0.00 0.00 60.65 58.58 2joy h LYS 86 Cb 1.71 -0.05 0.07 0.00 -0.60 0.00 0.00 32.23 33.36 2joy h LYS 86 CO -0.26 0.45 0.78 -2.00 -3.45 0.00 0.00 179.45 174.96 2joy s GLU 87 N -4.85 4.22 -0.05 1.90 -6.30 -0.56 -5.02 118.70 108.04 2joy s GLU 87 Ca -0.06 2.39 -0.02 0.00 -2.50 0.00 0.00 54.97 54.78 2joy s GLU 87 Cb 0.15 -3.06 0.04 0.00 0.00 0.00 0.00 34.13 31.26 2joy s GLU 87 CO 0.75 -0.45 0.09 -1.59 0.02 0.00 0.00 175.26 174.07 2joy s LYS 88 N -0.85 -0.02 0.27 4.30 -2.85 -1.26 -4.95 119.74 114.37 2joy s LYS 88 Ca 0.58 0.39 0.07 0.00 -1.00 0.00 0.00 55.97 56.01 2joy s LYS 88 Cb -0.44 -0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 34.94 2joy s LYS 88 CO 0.49 -0.28 0.28 0.96 0.10 0.00 0.00 175.35 176.90 2joy s ILE 89 N 1.89 4.51 -0.88 3.79 -5.25 -1.26 -4.75 121.20 119.25 2joy s ILE 89 Ca 0.00 -1.25 -0.04 0.00 -0.99 0.00 0.00 60.65 58.38 2joy s ILE 89 Cb -0.12 -3.50 -0.03 0.00 2.95 0.00 0.00 42.46 41.76 2joy s ILE 89 CO -0.04 -0.30 0.78 0.29 -1.79 0.00 0.00 174.94 173.88 2joy n LYS 90 N -1.31 -1.66 -2.98 0.37 4.01 -1.26 -2.19 118.16 113.13 2joy n LYS 90 Ca -0.07 1.17 -0.41 0.00 -0.51 0.00 0.00 58.31 58.50 2joy n LYS 90 Cb 0.58 -5.54 -0.05 0.00 -0.51 0.00 0.00 35.03 29.51 2joy n LYS 90 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2joy s ILE 91 N -3.17 4.92 -0.01 -0.18 1.09 -1.26 -3.39 121.20 119.20 2joy s ILE 91 Ca 0.20 1.43 -0.30 0.00 -1.10 0.00 0.00 60.65 60.88 2joy s ILE 91 Cb -0.03 -4.05 -0.04 0.00 -1.06 0.00 0.00 42.46 37.28 2joy s ILE 91 CO 0.76 0.02 1.10 -0.60 -0.10 0.00 0.00 174.94 176.12 2joy s ARG 92 N 2.32 4.46 -0.01 2.79 3.52 -1.26 -4.60 118.95 126.17 2joy s ARG 92 Ca 0.33 1.58 -0.01 0.00 -0.13 0.00 0.00 55.73 57.50 2joy s ARG 92 Cb -0.16 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2joy s ARG 92 CO 0.10 -0.23 0.03 -1.33 -0.81 0.00 0.00 175.30 173.05 2joy n MET 93 N 4.33 -2.97 -1.78 5.12 2.81 -1.26 -4.93 117.12 118.45 2joy n MET 93 Ca 0.08 2.37 -0.42 0.00 -1.81 0.00 0.00 57.70 57.93 2joy n MET 93 Cb 0.48 -3.04 -0.02 0.00 -0.71 0.00 0.00 33.22 29.93 2joy n MET 93 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 2joy s PRO 94 N -1.13 4.13 0.46 0.03 0.02 -1.26 -4.89 135.00 132.35 2joy s PRO 94 Ca -0.03 2.57 0.23 0.00 0.02 0.00 0.00 61.00 63.78 2joy s PRO 94 Cb 0.00 -3.04 1.09 0.00 0.02 0.00 0.00 34.50 32.57 2joy s PRO 94 CO 0.09 -0.65 1.93 1.15 -0.33 0.00 0.00 177.00 179.18 2joy h THR 95 N 3.52 0.74 -0.01 0.99 2.02 -1.96 -3.55 112.91 114.66 2joy h THR 95 Ca -0.46 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 65.79 2joy h THR 95 Cb 1.21 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 2joy h THR 95 CO 0.84 0.22 0.00 0.18 0.37 0.00 0.00 175.52 177.13