#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rms s SER 2 N 0.00 4.51 -0.57 -1.84 1.04 -1.26 -4.97 113.70 110.61 1rms s SER 2 Ca 0.00 0.81 -0.28 0.00 0.48 0.00 0.00 55.95 56.96 1rms s SER 2 Cb 0.00 -1.32 0.03 0.00 0.10 0.00 0.00 66.02 64.82 1rms s SER 2 CO 0.00 -1.91 1.21 0.00 0.98 0.00 0.00 173.24 173.52 1rms h GLU 4 N 9.63 -0.34 -5.38 0.00 4.81 -0.02 -3.43 114.58 119.85 1rms h GLU 4 Ca -0.25 0.02 -0.42 0.00 -0.13 0.00 0.00 59.36 58.59 1rms h GLU 4 Cb 1.06 0.08 -0.21 0.00 0.63 0.00 0.00 28.75 30.31 1rms h GLU 4 CO 1.18 -0.23 -0.78 0.71 -0.73 0.00 0.00 179.01 179.17 1rms s TYR 5 N -6.14 1.26 -0.15 0.92 2.02 -1.07 -4.56 117.35 109.63 1rms s TYR 5 Ca -0.15 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.09 1rms s TYR 5 Cb 0.05 -0.70 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 1rms s TYR 5 CO 0.65 0.07 -0.18 0.99 -1.57 0.00 0.00 175.55 175.51 1rms s THR 6 N -1.38 1.82 -0.48 -0.71 2.01 -0.38 -1.62 115.64 114.90 1rms s THR 6 Ca -0.00 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.10 1rms s THR 6 Cb -0.09 -1.65 0.12 0.00 0.01 0.00 0.00 72.50 70.89 1rms s THR 6 CO 0.02 0.50 0.35 0.00 -0.69 0.00 0.00 174.62 174.81 1rms n GLY 8 N 4.83 1.16 0.19 0.00 0.00 -1.26 -0.36 105.19 109.75 1rms n GLY 8 Ca -0.07 0.31 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1rms n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rms n SER 9 N 9.99 1.10 -4.68 1.61 3.41 -1.26 -4.97 113.62 118.82 1rms n SER 9 Ca 0.00 -1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 57.14 1rms n SER 9 Cb 0.00 0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 1rms n SER 9 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1rms s THR 10 N -1.42 4.77 -0.34 6.66 2.01 0.51 -5.03 115.64 122.80 1rms s THR 10 Ca 0.08 2.02 -0.15 0.00 0.31 0.00 0.00 61.69 63.94 1rms s THR 10 Cb 0.08 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 1rms s THR 10 CO 0.27 -0.02 0.38 0.00 -0.69 0.00 0.00 174.62 174.55 1rms s TYR 12 N 2.05 3.06 0.50 0.00 2.02 -0.64 -5.03 117.35 119.32 1rms s TYR 12 Ca 0.12 -0.30 -0.05 0.00 -0.37 0.00 0.00 57.07 56.48 1rms s TYR 12 Cb -0.16 -2.02 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 1rms s TYR 12 CO 0.12 -0.08 0.79 -1.58 -1.57 0.00 0.00 175.55 173.23 1rms s TRP 13 N 0.57 3.44 0.30 2.71 0.51 -1.26 0.68 118.94 125.89 1rms s TRP 13 Ca -0.01 0.68 0.02 0.00 -2.12 0.00 0.00 56.10 54.67 1rms s TRP 13 Cb -0.14 -2.40 0.58 0.00 -0.81 0.00 0.00 33.47 30.70 1rms s TRP 13 CO 0.02 -0.42 1.86 0.77 -0.51 0.00 0.00 176.95 178.68 1rms h SER 14 N 0.16 0.89 0.34 2.95 0.02 -1.95 -0.45 113.55 115.51 1rms h SER 14 Ca -0.47 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.47 1rms h SER 14 Cb 1.22 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1rms h SER 14 CO 0.61 0.50 -0.24 0.77 -1.14 0.00 0.00 176.83 177.32 1rms h SER 15 N 0.97 0.00 -0.24 3.07 4.64 -1.95 -0.95 113.55 119.09 1rms h SER 15 Ca 0.46 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.73 1rms h SER 15 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1rms h SER 15 CO -0.23 0.24 -0.08 0.44 -0.87 0.00 0.00 176.83 176.34 1rms h ASP 16 N 0.00 0.48 -0.07 4.97 3.32 -1.45 -2.83 116.42 120.84 1rms h ASP 16 Ca -0.00 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 1rms h ASP 16 Cb 0.48 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1rms h ASP 16 CO 0.03 0.76 0.03 0.58 -1.72 0.00 0.00 179.24 178.92 1rms h VAL 17 N 0.21 1.13 0.00 -1.35 2.07 -1.30 -1.68 116.25 115.33 1rms h VAL 17 Ca 0.06 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1rms h VAL 17 Cb 0.55 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1rms h VAL 17 CO 0.03 0.11 -0.10 0.28 0.02 0.00 0.00 177.57 177.90 1rms h SER 18 N -0.02 0.00 0.21 0.57 0.02 -1.20 0.52 113.55 113.64 1rms h SER 18 Ca 0.03 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.69 1rms h SER 18 Cb 0.15 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.72 1rms h SER 18 CO -0.00 0.10 -1.27 0.00 -1.14 0.00 0.00 176.83 174.52 1rms h ALA 19 N 1.90 -0.11 -0.51 3.77 0.00 -1.27 -1.48 119.26 121.56 1rms h ALA 19 Ca -0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 54.91 53.97 1rms h ALA 19 Cb 0.38 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1rms h ALA 19 CO 0.01 0.61 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 1rms h ALA 20 N 0.12 0.84 -0.33 0.00 0.00 -0.94 -1.03 119.26 117.92 1rms h ALA 20 Ca -0.23 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1rms h ALA 20 Cb 1.97 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1rms h ALA 20 CO 0.22 0.65 -0.19 -0.22 0.00 0.00 0.00 179.25 179.72 1rms h LYS 21 N 0.85 0.71 -0.69 0.00 3.64 -0.98 -2.21 116.57 117.89 1rms h LYS 21 Ca 0.13 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1rms h LYS 21 Cb 0.65 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1rms h LYS 21 CO 0.05 0.92 0.39 0.00 -2.27 0.00 0.00 179.45 178.54 1rms h ALA 22 N 0.77 1.40 -0.08 5.00 0.00 -1.07 0.17 119.26 125.44 1rms h ALA 22 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1rms h ALA 22 Cb 0.73 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1rms h ALA 22 CO 0.05 0.51 -0.03 -0.22 0.00 0.00 0.00 179.25 179.56 1rms h LYS 23 N 0.95 0.17 -0.71 0.00 1.63 -1.10 -1.55 116.57 115.96 1rms h LYS 23 Ca 0.25 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 1rms h LYS 23 Cb -0.00 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 1rms h LYS 23 CO -0.04 0.52 0.31 0.78 -3.45 0.00 0.00 179.45 177.57 1rms h GLY 24 N -0.18 1.11 1.36 5.01 0.00 -1.19 -2.72 103.07 106.45 1rms h GLY 24 Ca 0.02 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.64 1rms h GLY 24 CO 0.01 0.53 -0.43 -1.82 0.00 0.00 0.00 176.54 174.83 1rms h TYR 25 N 1.02 0.84 -0.85 5.60 3.20 -0.92 -1.73 116.97 124.12 1rms h TYR 25 Ca 0.24 -0.26 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1rms h TYR 25 Cb 0.15 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 1rms h TYR 25 CO 0.01 1.00 0.46 0.66 -1.64 0.00 0.00 178.16 178.66 1rms h SER 26 N 0.56 1.06 0.08 -2.11 4.64 -0.98 0.20 113.55 117.00 1rms h SER 26 Ca 0.04 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1rms h SER 26 Cb 0.98 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1rms h SER 26 CO 0.09 0.85 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.80 1rms h LEU 27 N 1.19 -0.09 -0.34 5.97 3.38 -1.43 -1.95 115.31 122.04 1rms h LEU 27 Ca 0.30 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1rms h LEU 27 Cb 0.03 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 1rms h LEU 27 CO -0.05 0.24 -0.18 0.22 0.09 0.00 0.00 178.44 178.76 1rms h TYR 28 N -0.44 -0.46 0.00 1.13 3.20 -1.03 -0.30 116.97 119.07 1rms h TYR 28 Ca -0.01 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1rms h TYR 28 Cb 0.37 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1rms h TYR 28 CO 0.03 -0.26 -0.18 1.49 -1.64 0.00 0.00 178.16 177.60 1rms h GLU 29 N -0.13 0.00 -0.16 1.82 4.81 -0.57 -2.28 114.58 118.07 1rms h GLU 29 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1rms h GLU 29 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1rms h GLU 29 CO -0.42 0.18 0.00 -1.13 -0.73 0.00 0.00 179.01 176.90 1rms n SER 30 N -4.32 1.83 -0.47 1.04 3.41 -0.27 -4.91 113.62 109.93 1rms n SER 30 Ca -0.02 -1.71 -0.06 0.00 -0.26 0.00 0.00 58.87 56.81 1rms n SER 30 Cb 0.24 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1rms n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rms n GLY 31 N 1.17 0.79 3.87 5.00 0.00 -0.36 -4.99 105.19 110.66 1rms n GLY 31 Ca 0.17 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 1rms n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rms s ASP 32 N -2.48 5.59 0.04 1.61 1.01 -0.42 -5.01 116.67 117.00 1rms s ASP 32 Ca 0.00 -0.29 -0.03 0.00 0.71 0.00 0.00 52.55 52.94 1rms s ASP 32 Cb 0.00 -1.29 -0.02 0.00 1.01 0.00 0.00 42.92 42.62 1rms s ASP 32 CO 0.00 -0.19 0.05 0.42 0.21 0.00 0.00 175.17 175.65 1rms s THR 33 N -2.18 0.14 -0.19 -1.27 -4.23 -1.26 -4.07 115.64 102.59 1rms s THR 33 Ca 0.37 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1rms s THR 33 Cb -0.07 -0.86 0.05 0.00 1.34 0.00 0.00 72.50 72.96 1rms s THR 33 CO 0.27 -0.65 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.04 1rms s ILE 34 N -2.56 1.06 -1.33 2.99 1.01 -0.70 -4.74 121.20 116.93 1rms s ILE 34 Ca -0.05 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 1rms s ILE 34 Cb -0.02 -1.33 0.07 0.00 0.01 0.00 0.00 42.46 41.19 1rms s ILE 34 CO -0.05 0.00 0.53 0.47 0.00 0.00 0.00 174.94 175.89 1rms n ASP 35 N 4.87 -3.92 -0.08 3.58 8.00 -1.26 -1.38 116.55 126.36 1rms n ASP 35 Ca -0.11 -0.42 -0.01 0.00 0.71 0.00 0.00 54.79 54.96 1rms n ASP 35 Cb 0.47 -3.23 -0.00 0.00 -0.02 0.00 0.00 41.12 38.33 1rms n ASP 35 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rms n ASP 36 N -2.34 -3.10 -4.16 -2.24 2.03 -1.26 -5.02 116.55 100.46 1rms n ASP 36 Ca -0.02 0.03 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 1rms n ASP 36 Cb 0.54 -0.72 -0.13 0.00 -0.72 0.00 0.00 41.12 40.09 1rms n ASP 36 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1rms s TYR 37 N -2.04 1.30 0.82 -0.67 2.02 -0.48 -4.19 117.35 114.12 1rms s TYR 37 Ca 0.00 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.21 1rms s TYR 37 Cb 0.00 -0.77 0.08 0.00 -0.40 0.00 0.00 41.96 40.88 1rms s TYR 37 CO 0.00 0.05 1.13 -1.25 -1.57 0.00 0.00 175.55 173.91 1rms s PRO 38 N -1.25 1.92 0.06 -1.71 0.04 -1.26 -1.73 135.00 131.07 1rms s PRO 38 Ca 0.02 0.36 -0.17 0.00 0.04 0.00 0.00 61.00 61.25 1rms s PRO 38 Cb -0.08 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1rms s PRO 38 CO 0.02 -1.67 0.40 -3.38 0.04 0.00 0.00 177.00 172.41 1rms s HIS 39 N -3.34 -0.24 0.34 0.56 -3.43 -1.10 -4.89 115.29 103.18 1rms s HIS 39 Ca 0.61 0.15 -0.28 0.00 -0.80 0.00 0.00 55.06 54.74 1rms s HIS 39 Cb -0.13 0.22 -0.12 0.00 -1.43 0.00 0.00 32.58 31.12 1rms s HIS 39 CO 0.52 -0.59 1.36 0.39 -2.00 0.00 0.00 174.74 174.42 1rms n GLU 40 N 0.36 2.27 -4.21 -0.38 1.02 -1.26 -0.20 120.64 118.24 1rms n GLU 40 Ca -0.18 0.80 -0.34 0.00 -0.02 0.00 0.00 57.16 57.42 1rms n GLU 40 Cb 0.61 -2.43 -0.14 0.00 -0.02 0.00 0.00 31.44 29.45 1rms n GLU 40 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1rms s TYR 41 N -0.94 2.88 -0.20 -0.32 5.04 0.82 -4.72 117.35 119.91 1rms s TYR 41 Ca 0.57 -0.96 0.22 0.00 -2.44 0.00 0.00 57.07 54.45 1rms s TYR 41 Cb -0.55 -1.99 0.46 0.00 0.35 0.00 0.00 41.96 40.23 1rms s TYR 41 CO 0.61 -0.49 1.64 1.25 -1.34 0.00 0.00 175.55 177.22 1rms h HIS 42 N 7.64 0.00 -4.80 4.97 -0.00 -1.94 -3.37 115.15 117.65 1rms h HIS 42 Ca -0.37 0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 59.73 1rms h HIS 42 Cb 1.17 0.00 0.12 0.00 -0.00 0.00 0.00 27.41 28.71 1rms h HIS 42 CO 0.54 0.19 -0.57 -3.47 -0.00 0.00 0.00 177.93 174.61 1rms n ASP 43 N -3.18 -3.03 -0.16 3.26 2.03 -1.26 -4.91 116.55 109.30 1rms n ASP 43 Ca 0.02 -0.46 -0.06 0.00 0.52 0.00 0.00 54.79 54.82 1rms n ASP 43 Cb 0.55 -4.06 0.12 0.00 -0.72 0.00 0.00 41.12 37.01 1rms n ASP 43 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1rms h TYR 44 N -1.66 0.98 0.00 -0.67 3.20 -1.99 -2.81 116.97 114.03 1rms h TYR 44 Ca -0.45 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.28 1rms h TYR 44 Cb 1.27 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 1rms h TYR 44 CO 0.35 0.86 -0.01 0.93 -1.64 0.00 0.00 178.16 178.65 1rms h GLU 45 N 0.87 0.00 0.00 1.82 3.07 -1.95 -3.47 114.58 114.92 1rms h GLU 45 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1rms h GLU 45 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1rms h GLU 45 CO 0.02 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.05 1rms n GLY 46 N -0.96 0.61 3.77 -3.84 0.00 -1.06 -5.05 105.19 98.67 1rms n GLY 46 Ca -0.02 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 1rms n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rms s PHE 47 N -2.00 3.14 0.57 1.61 0.08 -1.26 -5.00 117.98 115.12 1rms s PHE 47 Ca 0.00 1.60 0.29 0.00 0.12 0.00 0.00 56.93 58.93 1rms s PHE 47 Cb 0.00 -3.26 1.48 0.00 -0.57 0.00 0.00 43.02 40.67 1rms s PHE 47 CO 0.00 -1.02 1.93 0.38 -0.10 0.00 0.00 175.22 176.42 1rms h ASP 48 N 2.49 0.00 0.00 1.36 3.04 -1.98 -3.49 116.42 117.84 1rms h ASP 48 Ca -0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 1rms h ASP 48 Cb 1.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 1rms h ASP 48 CO 0.62 0.00 0.00 0.49 -2.04 0.00 0.00 179.24 178.31 1rms n PHE 49 N -3.93 0.00 0.02 4.15 3.72 -1.26 -4.74 117.46 115.41 1rms n PHE 49 Ca 0.10 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.51 1rms n PHE 49 Cb 0.67 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.27 1rms n PHE 49 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1rms n PRO 50 N 0.42 0.01 -4.43 -1.08 -0.04 -1.26 -4.58 135.00 124.04 1rms n PRO 50 Ca 0.00 0.43 -0.21 0.00 -0.04 0.00 0.00 63.50 63.68 1rms n PRO 50 Cb 0.00 -1.64 -0.10 0.00 -0.04 0.00 0.00 33.50 31.71 1rms n PRO 50 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1rms s VAL 51 N -2.89 1.42 0.18 0.52 -7.23 -1.26 -5.10 120.40 106.04 1rms s VAL 51 Ca -0.00 -2.06 -0.14 0.00 -1.81 0.00 0.00 61.98 57.97 1rms s VAL 51 Cb 0.01 -2.59 -0.07 0.00 0.56 0.00 0.00 36.38 34.28 1rms s VAL 51 CO 0.02 -0.18 0.57 -0.94 -0.31 0.00 0.00 175.10 174.26 1rms s SER 52 N -3.46 6.79 1.01 4.85 1.04 -1.26 -5.01 113.70 117.66 1rms s SER 52 Ca 0.32 1.07 -0.06 0.00 0.48 0.00 0.00 55.95 57.76 1rms s SER 52 Cb 0.06 -2.28 0.08 0.00 0.10 0.00 0.00 66.02 63.98 1rms s SER 52 CO 0.13 0.05 0.45 0.61 0.98 0.00 0.00 173.24 175.46 1rms n GLY 53 N 0.53 -1.37 3.72 7.32 0.00 -1.26 -4.79 105.19 109.34 1rms n GLY 53 Ca -0.03 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1rms n GLY 53 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1rms n THR 54 N -2.69 2.32 -3.89 2.61 5.66 -1.26 -4.94 114.28 112.09 1rms n THR 54 Ca 0.06 -0.50 -0.31 0.00 -3.05 0.00 0.00 64.05 60.24 1rms n THR 54 Cb 0.20 -1.66 -0.04 0.00 -1.55 0.00 0.00 70.33 67.28 1rms n THR 54 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1rms s TYR 55 N -1.15 3.52 0.01 1.09 2.02 -1.26 -4.02 117.35 117.56 1rms s TYR 55 Ca 0.58 0.30 0.02 0.00 -0.37 0.00 0.00 57.07 57.60 1rms s TYR 55 Cb -0.52 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.23 1rms s TYR 55 CO 0.60 0.58 -0.06 0.71 -1.57 0.00 0.00 175.55 175.81 1rms s TYR 56 N -1.51 0.49 0.12 2.71 2.02 -0.27 -0.13 117.35 120.78 1rms s TYR 56 Ca 0.35 -0.23 0.09 0.00 -0.37 0.00 0.00 57.07 56.90 1rms s TYR 56 Cb -0.13 -0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.08 1rms s TYR 56 CO 0.27 -0.04 -0.17 -1.83 -1.57 0.00 0.00 175.55 172.21 1rms s GLU 57 N -0.64 1.84 -0.07 -0.62 -1.05 0.73 -1.17 118.70 117.71 1rms s GLU 57 Ca -0.03 -1.16 -0.08 0.00 -0.15 0.00 0.00 54.97 53.55 1rms s GLU 57 Cb -0.05 -2.14 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 1rms s GLU 57 CO -0.00 0.48 0.22 -0.47 0.95 0.00 0.00 175.26 176.44 1rms s TYR 58 N -1.18 -0.21 0.38 4.83 5.04 -0.65 -2.72 117.35 122.84 1rms s TYR 58 Ca 0.19 0.52 -0.26 0.00 -2.44 0.00 0.00 57.07 55.07 1rms s TYR 58 Cb -0.11 0.07 -0.09 0.00 0.35 0.00 0.00 41.96 42.19 1rms s TYR 58 CO 0.11 -0.14 1.24 -2.14 -1.34 0.00 0.00 175.55 173.28 1rms s PRO 59 N -0.06 4.11 -0.14 4.97 0.02 -1.26 -0.26 135.00 142.37 1rms s PRO 59 Ca -0.02 2.03 -0.02 0.00 0.02 0.00 0.00 61.00 63.01 1rms s PRO 59 Cb -0.02 -2.81 -0.02 0.00 0.02 0.00 0.00 34.50 31.67 1rms s PRO 59 CO 0.01 -0.33 -0.09 -1.50 -0.33 0.00 0.00 177.00 174.75 1rms s ILE 60 N -1.29 3.34 -0.10 2.83 2.07 -0.73 -4.50 121.20 122.83 1rms s ILE 60 Ca 0.55 -0.55 -0.06 0.00 -1.41 0.00 0.00 60.65 59.18 1rms s ILE 60 Cb -0.35 -2.43 -0.04 0.00 0.13 0.00 0.00 42.46 39.76 1rms s ILE 60 CO 0.45 0.51 0.13 -0.04 -1.91 0.00 0.00 174.94 174.08 1rms s MET 61 N 0.44 3.38 0.48 3.50 -1.94 -1.26 -4.42 119.30 119.48 1rms s MET 61 Ca -0.08 -0.20 0.20 0.00 -1.71 0.00 0.00 55.69 53.90 1rms s MET 61 Cb -0.15 -3.12 1.22 0.00 2.01 0.00 0.00 34.83 34.78 1rms s MET 61 CO 0.04 0.75 1.99 1.03 -0.01 0.00 0.00 175.02 178.82 1rms h SER 62 N 4.81 0.18 0.26 3.03 0.87 -1.95 -1.38 113.55 119.36 1rms h SER 62 Ca -0.54 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 1rms h SER 62 Cb 1.22 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1rms h SER 62 CO 0.59 0.10 -0.17 -0.90 -0.53 0.00 0.00 176.83 175.92 1rms n ASP 63 N -4.43 0.84 0.00 6.23 5.75 -1.26 -4.96 116.55 118.72 1rms n ASP 63 Ca 0.10 -0.83 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 1rms n ASP 63 Cb 0.49 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1rms n ASP 63 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1rms n TYR 64 N -0.69 0.00 -3.17 2.11 4.01 -0.52 -5.03 117.16 113.87 1rms n TYR 64 Ca 0.14 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.57 1rms n TYR 64 Cb 0.32 -0.08 -0.04 0.00 -0.31 0.00 0.00 39.34 39.23 1rms n TYR 64 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1rms s ASP 65 N -2.77 6.56 0.46 7.72 1.11 -1.26 -4.97 116.67 123.52 1rms s ASP 65 Ca 0.00 0.98 -0.22 0.00 0.18 0.00 0.00 52.55 53.49 1rms s ASP 65 Cb 0.00 -2.26 -0.08 0.00 1.07 0.00 0.00 42.92 41.66 1rms s ASP 65 CO 0.00 -0.23 1.09 -0.69 1.18 0.00 0.00 175.17 176.51 1rms s VAL 66 N -2.10 3.51 0.23 -1.27 1.01 -1.26 -4.08 120.40 116.44 1rms s VAL 66 Ca 0.49 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 1rms s VAL 66 Cb -0.11 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 1rms s VAL 66 CO 0.26 -0.10 1.14 -0.47 0.00 0.00 0.00 175.10 175.93 1rms s TYR 67 N -1.75 3.52 0.00 5.22 5.04 -1.26 -4.90 117.35 123.21 1rms s TYR 67 Ca 0.64 1.58 0.10 0.00 -2.44 0.00 0.00 57.07 56.95 1rms s TYR 67 Cb -0.22 -3.34 0.16 0.00 0.35 0.00 0.00 41.96 38.90 1rms s TYR 67 CO 0.27 -0.82 1.03 2.41 -1.34 0.00 0.00 175.55 177.10 1rms n THR 68 N 1.90 0.00 0.00 4.34 -1.04 -1.26 -5.01 114.28 113.21 1rms n THR 68 Ca 0.02 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1rms n THR 68 Cb 0.45 0.66 0.00 0.00 -1.82 0.00 0.00 70.33 69.61 1rms n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rms n GLY 69 N 0.18 3.26 0.00 3.41 0.00 -1.26 -5.01 105.19 105.77 1rms n GLY 69 Ca 0.01 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1rms n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rms n GLY 70 N -0.97 -1.69 3.72 -0.02 0.00 -1.26 -4.95 105.19 100.02 1rms n GLY 70 Ca 0.00 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1rms n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rms s SER 71 N -4.00 6.69 0.02 1.61 0.15 -1.26 -4.91 113.70 112.00 1rms s SER 71 Ca 0.00 2.54 0.25 0.00 0.70 0.00 0.00 55.95 59.44 1rms s SER 71 Cb 0.00 -2.60 0.56 0.00 -1.71 0.00 0.00 66.02 62.27 1rms s SER 71 CO 0.00 -0.73 1.45 -0.81 1.20 0.00 0.00 173.24 174.35 1rms n PRO 72 N 3.51 0.06 0.00 5.44 -0.04 -1.26 -5.04 135.00 137.66 1rms n PRO 72 Ca 0.11 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1rms n PRO 72 Cb 0.40 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1rms n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rms n GLY 73 N 1.47 -0.72 0.19 0.55 0.00 -1.26 -4.33 105.19 101.09 1rms n GLY 73 Ca 0.05 -1.15 0.07 0.00 0.00 0.00 0.00 46.02 44.99 1rms n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rms n ALA 74 N 1.73 3.30 -2.73 4.61 0.00 -1.26 -5.01 120.51 121.15 1rms n ALA 74 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 53.44 52.67 1rms n ALA 74 Cb 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 1rms n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rms s ASP 75 N -1.90 5.36 -0.01 0.00 1.01 -1.26 -1.01 116.67 118.85 1rms s ASP 75 Ca 0.09 0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.39 1rms s ASP 75 Cb 0.11 -1.45 0.01 0.00 1.01 0.00 0.00 42.92 42.60 1rms s ASP 75 CO 0.42 0.26 -0.02 -0.13 0.21 0.00 0.00 175.17 175.90 1rms s ARG 76 N -1.77 0.29 0.07 8.23 1.81 0.14 -1.77 118.95 125.95 1rms s ARG 76 Ca 0.22 -0.05 -0.06 0.00 -1.72 0.00 0.00 55.73 54.12 1rms s ARG 76 Cb -0.12 -0.35 -0.05 0.00 -0.45 0.00 0.00 34.95 33.98 1rms s ARG 76 CO 0.13 -0.00 0.33 0.54 -0.68 0.00 0.00 175.30 175.62 1rms s VAL 77 N 0.32 5.21 -0.13 3.52 0.11 0.64 -0.78 120.40 129.29 1rms s VAL 77 Ca -0.03 0.16 -0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1rms s VAL 77 Cb -0.06 -3.61 -0.01 0.00 -1.53 0.00 0.00 36.38 31.17 1rms s VAL 77 CO -0.01 0.23 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.24 1rms s ILE 78 N -1.45 3.06 0.17 7.04 -1.09 0.10 -1.63 121.20 127.40 1rms s ILE 78 Ca 0.34 -0.66 -0.07 0.00 -2.23 0.00 0.00 60.65 58.03 1rms s ILE 78 Cb -0.13 -2.29 -0.02 0.00 -1.58 0.00 0.00 42.46 38.45 1rms s ILE 78 CO 0.20 0.52 0.25 0.72 -1.23 0.00 0.00 174.94 175.40 1rms s PHE 79 N 0.40 0.54 0.49 3.97 -0.71 -0.32 -1.39 117.98 120.95 1rms s PHE 79 Ca -0.10 -0.89 0.05 0.00 -1.04 0.00 0.00 56.93 54.95 1rms s PHE 79 Cb -0.16 -0.15 -0.00 0.00 -1.21 0.00 0.00 43.02 41.50 1rms s PHE 79 CO 0.05 -0.70 0.25 0.54 -1.34 0.00 0.00 175.22 174.02 1rms s ASN 80 N -3.00 4.48 0.00 1.98 2.20 -0.85 -1.11 114.94 118.64 1rms s ASN 80 Ca 0.21 -1.25 0.02 0.00 -0.94 0.00 0.00 52.86 50.90 1rms s ASN 80 Cb 0.04 0.10 0.08 0.00 -2.00 0.00 0.00 41.25 39.46 1rms s ASN 80 CO 0.02 -0.85 0.93 0.61 -2.94 0.00 0.00 177.10 174.88 1rms n GLY 81 N -1.48 -0.43 0.99 0.45 0.00 -1.26 -1.46 105.19 102.01 1rms n GLY 81 Ca -0.05 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1rms n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rms n ASP 82 N -1.37 3.22 -1.13 1.61 8.00 -1.26 -4.95 116.55 120.67 1rms n ASP 82 Ca 0.01 -1.93 -0.11 0.00 0.71 0.00 0.00 54.79 53.47 1rms n ASP 82 Cb 0.02 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1rms n ASP 82 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rms n ASP 83 N 1.23 -3.79 -4.85 -2.24 2.03 -0.53 -5.01 116.55 103.39 1rms n ASP 83 Ca 0.17 0.07 -0.36 0.00 0.52 0.00 0.00 54.79 55.19 1rms n ASP 83 Cb 0.54 -2.81 -0.06 0.00 -0.72 0.00 0.00 41.12 38.07 1rms n ASP 83 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1rms s GLU 84 N -4.08 3.83 -0.02 -0.67 2.02 -1.25 -4.91 118.70 113.61 1rms s GLU 84 Ca 0.00 0.29 -0.28 0.00 0.02 0.00 0.00 54.97 55.00 1rms s GLU 84 Cb 0.00 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 1rms s GLU 84 CO 0.00 0.61 0.91 -1.17 0.02 0.00 0.00 175.26 175.63 1rms s LEU 85 N -1.57 4.35 -0.21 1.80 2.96 -1.26 -2.01 118.68 122.73 1rms s LEU 85 Ca 0.29 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 1rms s LEU 85 Cb -0.15 -3.45 -0.13 0.00 0.50 0.00 0.00 46.19 42.96 1rms s LEU 85 CO 0.16 -0.24 -0.20 0.00 -1.32 0.00 0.00 176.35 174.75 1rms n ALA 86 N 3.95 1.55 0.00 5.97 0.00 -0.49 -4.69 120.51 126.80 1rms n ALA 86 Ca 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1rms n ALA 86 Cb 0.51 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1rms n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rms n GLY 87 N 2.39 -0.67 3.13 0.00 0.00 -1.06 -4.41 105.19 104.58 1rms n GLY 87 Ca -0.38 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 43.94 1rms n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rms s VAL 88 N -1.87 1.63 0.15 1.61 1.01 -1.26 0.02 120.40 121.68 1rms s VAL 88 Ca 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1rms s VAL 88 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1rms s VAL 88 CO 0.00 0.46 -0.11 0.27 0.00 0.00 0.00 175.10 175.72 1rms s ILE 89 N 0.46 1.26 0.01 2.22 -4.36 0.04 -2.20 121.20 118.62 1rms s ILE 89 Ca -0.16 -1.99 -0.04 0.00 -0.26 0.00 0.00 60.65 58.20 1rms s ILE 89 Cb -0.17 -1.78 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 1rms s ILE 89 CO 0.06 -0.65 0.06 0.28 0.24 0.00 0.00 174.94 174.92 1rms s THR 90 N -3.00 0.09 -0.26 8.37 -1.32 -0.45 0.26 115.64 119.32 1rms s THR 90 Ca 0.15 -0.72 0.19 0.00 -1.21 0.00 0.00 61.69 60.10 1rms s THR 90 Cb 0.00 -0.33 0.12 0.00 -1.51 0.00 0.00 72.50 70.79 1rms s THR 90 CO 0.02 -0.40 1.37 0.45 -2.21 0.00 0.00 174.62 173.85 1rms h HIS 91 N 4.61 0.00 -2.26 9.09 3.86 -1.29 0.25 115.15 129.41 1rms h HIS 91 Ca -0.31 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.34 1rms h HIS 91 Cb 1.20 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.70 1rms h HIS 91 CO 0.61 0.28 1.12 2.41 0.86 0.00 0.00 177.93 183.20 1rms n THR 92 N -3.07 0.55 -0.98 2.45 -1.04 -1.26 -1.41 114.28 109.52 1rms n THR 92 Ca 0.01 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1rms n THR 92 Cb 0.66 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 1rms n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rms n GLY 93 N 4.33 0.51 3.26 3.41 0.00 -1.26 -4.79 105.19 110.65 1rms n GLY 93 Ca 0.20 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1rms n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rms s ALA 94 N -2.00 2.60 0.00 4.61 0.00 -0.50 -4.98 121.76 121.49 1rms s ALA 94 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1rms s ALA 94 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1rms s ALA 94 CO 0.00 -0.22 0.00 0.43 0.00 0.00 0.00 175.76 175.97 1rms n SER 95 N 4.40 0.00 0.00 0.00 7.64 -1.26 -4.68 113.62 119.72 1rms n SER 95 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1rms n SER 95 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1rms n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rms n GLY 96 N -0.81 0.92 0.73 0.23 0.00 -1.26 -4.97 105.19 100.03 1rms n GLY 96 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1rms n GLY 96 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rms n ASP 97 N 0.00 3.48 -4.14 1.61 2.03 -1.26 -5.00 116.55 113.27 1rms n ASP 97 Ca 0.00 -2.78 -0.30 0.00 0.52 0.00 0.00 54.79 52.23 1rms n ASP 97 Cb 0.00 -0.45 0.19 0.00 -0.72 0.00 0.00 41.12 40.14 1rms n ASP 97 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1rms s ASP 98 N -1.80 2.58 0.05 1.67 1.11 -1.26 -5.07 116.67 113.96 1rms s ASP 98 Ca 0.36 0.47 0.03 0.00 0.18 0.00 0.00 52.55 53.58 1rms s ASP 98 Cb 0.28 -0.64 -0.03 0.00 1.07 0.00 0.00 42.92 43.60 1rms s ASP 98 CO 0.09 -3.08 -0.09 -0.36 1.18 0.00 0.00 175.17 172.92 1rms s PHE 99 N -3.56 0.79 0.16 4.23 0.08 -1.26 -4.45 117.98 113.97 1rms s PHE 99 Ca 0.71 -0.54 0.07 0.00 0.12 0.00 0.00 56.93 57.29 1rms s PHE 99 Cb -0.07 -0.46 -0.04 0.00 -0.57 0.00 0.00 43.02 41.88 1rms s PHE 99 CO 0.54 -0.06 -0.15 0.14 -0.10 0.00 0.00 175.22 175.58 1rms s VAL 100 N -1.64 1.59 0.47 -0.44 -7.23 0.08 -4.98 120.40 108.24 1rms s VAL 100 Ca -0.06 -1.92 -0.19 0.00 -1.81 0.00 0.00 61.98 58.00 1rms s VAL 100 Cb -0.08 -1.77 -0.09 0.00 0.56 0.00 0.00 36.38 34.99 1rms s VAL 100 CO 0.00 -0.44 0.98 0.00 -0.31 0.00 0.00 175.10 175.33 1rms s ALA 101 N -2.35 3.01 0.06 1.32 0.00 -1.26 -1.35 121.76 121.19 1rms s ALA 101 Ca 0.15 0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.26 1rms s ALA 101 Cb -0.04 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 1rms s ALA 101 CO 0.05 -0.10 0.57 0.00 0.00 0.00 0.00 175.76 176.29 1rms s SER 103 N -0.94 5.51 0.00 0.00 1.04 -0.52 -4.73 113.70 114.05 1rms s SER 103 Ca 0.29 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.26 1rms s SER 103 Cb -0.19 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.31 1rms s SER 103 CO 0.19 -1.39 0.00 -1.54 0.98 0.00 0.00 173.24 171.48 1rms n SER 104 N -1.01 0.00 0.00 7.02 3.41 -1.26 -1.25 113.62 120.53 1rms n SER 104 Ca 0.10 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.82 1rms n SER 104 Cb 0.47 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 65.07 1rms n SER 104 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34