#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5l n PHE 9 N 0.00 0.00 -1.46 0.54 3.01 -1.26 -1.53 117.46 116.76 1s5l n PHE 9 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1s5l n PHE 9 Cb 0.00 -1.73 0.00 0.00 -0.01 0.00 0.00 39.48 37.74 1s5l n PHE 9 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1s5l n SER 10 N -0.46 -1.45 0.00 4.37 2.88 -1.26 -5.04 113.62 112.65 1s5l n SER 10 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1s5l n SER 10 Cb 0.30 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1s5l n SER 10 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1s5l n ASP 11 N -0.65 0.00 -0.00 -3.46 8.00 -0.58 -3.68 116.55 116.17 1s5l n ASP 11 Ca 0.00 0.61 0.14 0.00 0.71 0.00 0.00 54.79 56.25 1s5l n ASP 11 Cb 0.36 -0.44 0.63 0.00 -0.02 0.00 0.00 41.12 41.66 1s5l n ASP 11 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1s5l n ILE 12 N -1.81 0.00 0.10 0.53 5.41 -1.26 -2.95 119.36 119.38 1s5l n ILE 12 Ca 0.00 -0.00 0.19 0.00 1.00 0.00 0.00 62.75 63.94 1s5l n ILE 12 Cb 0.00 -0.45 0.63 0.00 -0.71 0.00 0.00 39.64 39.11 1s5l n ILE 12 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1s5l h ILE 13 N 0.02 0.18 0.00 1.39 2.04 -1.97 -2.63 117.51 116.54 1s5l h ILE 13 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 65.48 1s5l h ILE 13 Cb 0.45 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1s5l h ILE 13 CO 0.00 0.00 -2.42 0.41 0.00 0.00 0.00 178.15 176.14 1s5l n THR 14 N -3.33 1.42 -0.73 -0.27 -1.04 -1.15 -5.01 114.28 104.17 1s5l n THR 14 Ca 0.08 -0.53 -0.32 0.00 -2.04 0.00 0.00 64.05 61.24 1s5l n THR 14 Cb 0.80 -1.41 0.15 0.00 -1.82 0.00 0.00 70.33 68.05 1s5l n THR 14 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1s5l n SER 15 N -3.29 -1.80 0.00 8.00 3.41 -0.99 -4.95 113.62 114.00 1s5l n SER 15 Ca -0.44 0.20 -0.07 0.00 -0.26 0.00 0.00 58.87 58.29 1s5l n SER 15 Cb 0.96 -1.19 -0.13 0.00 -0.26 0.00 0.00 64.21 63.59 1s5l n SER 15 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1s5l h VAL 16 N -1.81 0.99 -0.76 -3.33 3.04 -1.95 -3.35 116.25 109.08 1s5l h VAL 16 Ca -0.47 -2.79 0.08 0.00 -1.01 0.00 0.00 66.70 62.51 1s5l h VAL 16 Cb 1.30 2.48 -0.06 0.00 -2.01 0.00 0.00 31.29 32.99 1s5l h VAL 16 CO 0.37 0.57 0.44 -0.09 -1.01 0.00 0.00 177.57 177.84 1s5l h ARG 17 N 0.00 0.75 -0.69 4.17 2.43 -1.92 0.33 114.38 119.45 1s5l h ARG 17 Ca -0.22 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 58.97 1s5l h ARG 17 Cb 1.92 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 31.25 1s5l h ARG 17 CO 0.09 0.49 0.39 -0.92 -1.51 0.00 0.00 179.97 178.51 1s5l h TYR 18 N 0.77 0.72 -0.27 2.20 3.20 -1.80 0.41 116.97 122.19 1s5l h TYR 18 Ca 0.35 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.16 1s5l h TYR 18 Cb 0.26 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1s5l h TYR 18 CO -0.07 0.35 -0.18 -1.49 -1.64 0.00 0.00 178.16 175.14 1s5l h TRP 19 N 0.72 0.71 -0.39 -3.82 4.06 -1.37 -2.94 115.95 112.92 1s5l h TRP 19 Ca 0.31 -0.19 0.04 0.00 2.06 0.00 0.00 58.89 61.11 1s5l h TRP 19 Cb 0.18 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.14 1s5l h TRP 19 CO -0.07 0.87 0.16 0.28 -3.56 0.00 0.00 178.44 176.12 1s5l h VAL 20 N 0.34 0.92 0.00 1.49 2.07 0.40 1.73 116.25 123.19 1s5l h VAL 20 Ca 0.06 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1s5l h VAL 20 Cb 0.71 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1s5l h VAL 20 CO 0.05 0.06 0.00 -0.29 0.02 0.00 0.00 177.57 177.41 1s5l h ILE 21 N 0.33 0.00 0.00 4.57 2.10 -0.27 -3.33 117.51 120.91 1s5l h ILE 21 Ca 0.18 -0.54 -0.31 0.00 1.08 0.00 0.00 64.86 65.27 1s5l h ILE 21 Cb 0.13 1.50 -0.06 0.00 -1.09 0.00 0.00 36.82 37.30 1s5l h ILE 21 CO -0.16 0.00 -2.16 1.41 -1.08 0.00 0.00 178.15 176.16 1s5l n HIS 22 N -2.45 0.00 -0.11 2.19 8.25 -0.96 -3.21 115.22 118.93 1s5l n HIS 22 Ca 0.05 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.77 1s5l n HIS 22 Cb 0.41 -0.82 0.68 0.00 1.12 0.00 0.00 29.99 31.39 1s5l n HIS 22 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1s5l h SER 23 N 0.00 0.00 0.00 0.41 4.64 0.25 1.20 113.55 120.05 1s5l h SER 23 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1s5l h SER 23 Cb 1.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 1s5l h SER 23 CO -0.01 0.00 -1.27 -0.38 -0.87 0.00 0.00 176.83 174.30 1s5l n ILE 24 N -3.76 0.00 -0.07 0.95 5.41 -1.25 -4.32 119.36 116.32 1s5l n ILE 24 Ca 0.16 -0.25 -0.04 0.00 1.00 0.00 0.00 62.75 63.62 1s5l n ILE 24 Cb 1.01 0.55 -0.01 0.00 -0.71 0.00 0.00 39.64 40.48 1s5l n ILE 24 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1s5l h THR 25 N 0.00 0.01 -0.55 1.39 2.02 0.13 -3.35 112.91 112.55 1s5l h THR 25 Ca 0.00 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.18 1s5l h THR 25 Cb 0.58 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1s5l h THR 25 CO 0.00 0.00 0.36 0.16 0.37 0.00 0.00 175.52 176.41 1s5l h ILE 26 N -1.00 1.12 0.00 3.11 3.07 -0.89 0.94 117.51 123.87 1s5l h ILE 26 Ca -0.00 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.16 1s5l h ILE 26 Cb 0.45 0.33 0.00 0.00 -0.27 0.00 0.00 36.82 37.33 1s5l h ILE 26 CO -0.00 0.13 0.00 -2.65 -1.05 0.00 0.00 178.15 174.58 1s5l n PRO 27 N -4.72 0.41 0.03 0.16 -0.02 -1.26 -1.41 135.00 128.19 1s5l n PRO 27 Ca 0.04 0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.69 1s5l n PRO 27 Cb 0.03 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.17 1s5l n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s5l n ALA 28 N -1.11 3.32 -0.10 3.55 0.00 0.31 -3.02 120.51 123.46 1s5l n ALA 28 Ca 0.11 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 1s5l n ALA 28 Cb 0.09 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 1s5l n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s5l n LEU 29 N -1.83 1.81 -0.30 0.00 4.77 -0.52 -2.69 117.00 118.24 1s5l n LEU 29 Ca 0.04 -0.07 0.03 0.00 -0.03 0.00 0.00 56.01 55.98 1s5l n LEU 29 Cb 0.40 -0.29 0.17 0.00 -2.33 0.00 0.00 43.42 41.36 1s5l n LEU 29 CO 0.37 0.69 1.16 0.15 -1.33 0.00 0.00 177.39 178.42 1s5l h PHE 30 N 0.00 0.90 0.00 -1.77 -0.00 -1.36 0.36 116.94 115.07 1s5l h PHE 30 Ca -0.47 0.03 -0.00 0.00 -0.00 0.00 0.00 57.97 57.53 1s5l h PHE 30 Cb 1.85 -0.28 0.00 0.00 -0.00 0.00 0.00 35.95 37.53 1s5l h PHE 30 CO 0.01 0.38 -0.00 0.82 -0.00 0.00 0.00 178.31 179.52 1s5l h ILE 31 N 0.84 1.62 -1.08 1.41 1.08 -1.72 -2.88 117.51 116.78 1s5l h ILE 31 Ca 0.40 -2.21 0.34 0.00 -0.39 0.00 0.00 64.86 63.00 1s5l h ILE 31 Cb 0.35 3.05 -0.14 0.00 -3.07 0.00 0.00 36.82 37.01 1s5l h ILE 31 CO -0.24 0.55 0.65 0.00 -0.69 0.00 0.00 178.15 178.42 1s5l h ALA 32 N -0.10 2.18 0.15 1.87 0.00 -1.23 0.29 119.26 122.41 1s5l h ALA 32 Ca -0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1s5l h ALA 32 Cb 0.90 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1s5l h ALA 32 CO 0.00 -0.77 -0.07 0.78 0.00 0.00 0.00 179.25 179.19 1s5l h GLY 33 N 0.27 -0.21 -0.36 0.00 0.00 -0.38 -2.95 103.07 99.45 1s5l h GLY 33 Ca 0.74 0.08 0.26 0.00 0.00 0.00 0.00 47.33 48.41 1s5l h GLY 33 CO -0.52 -0.08 0.44 -0.25 0.00 0.00 0.00 176.54 176.13 1s5l h TRP 34 N -0.79 0.72 0.00 5.60 2.91 -0.29 1.57 115.95 125.67 1s5l h TRP 34 Ca -0.02 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1s5l h TRP 34 Cb 0.53 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1s5l h TRP 34 CO 0.08 -0.11 0.00 -0.07 -1.03 0.00 0.00 178.44 177.31 1s5l h LEU 35 N 0.35 0.00 -1.08 0.65 3.38 -1.04 -1.65 115.31 115.93 1s5l h LEU 35 Ca 0.63 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.51 1s5l h LEU 35 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1s5l h LEU 35 CO -0.58 0.00 -0.25 0.15 0.09 0.00 0.00 178.44 177.85 1s5l h PHE 36 N 0.00 0.38 0.08 1.13 3.57 0.25 -1.79 116.94 120.56 1s5l h PHE 36 Ca 0.00 -0.07 -0.29 0.00 3.53 0.00 0.00 57.97 61.14 1s5l h PHE 36 Cb 0.53 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1s5l h PHE 36 CO 0.00 0.57 -1.56 0.28 -2.23 0.00 0.00 178.31 175.38 1s5l h VAL 37 N 0.31 0.85 -0.40 1.41 2.07 -1.23 -3.05 116.25 116.22 1s5l h VAL 37 Ca 0.05 -2.30 -0.03 0.00 0.82 0.00 0.00 66.70 65.24 1s5l h VAL 37 Cb 0.61 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1s5l h VAL 37 CO 0.04 0.64 0.13 -1.28 0.02 0.00 0.00 177.57 177.13 1s5l h SER 38 N -0.41 0.52 0.17 0.57 0.87 -1.34 -2.79 113.55 111.14 1s5l h SER 38 Ca -0.36 -0.06 -0.21 0.00 -1.23 0.00 0.00 61.79 59.93 1s5l h SER 38 Cb 1.70 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1s5l h SER 38 CO -0.02 0.50 -0.82 0.74 -0.53 0.00 0.00 176.83 176.70 1s5l h THR 39 N 0.57 1.35 0.00 2.23 2.02 -1.49 -3.48 112.91 114.11 1s5l h THR 39 Ca 0.14 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1s5l h THR 39 Cb 0.16 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1s5l h THR 39 CO -0.01 0.67 0.00 0.61 0.37 0.00 0.00 175.52 177.16 1s5l n GLY 40 N 0.73 1.66 0.14 2.16 0.00 -1.05 -5.00 105.19 103.84 1s5l n GLY 40 Ca -0.06 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 1s5l n GLY 40 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s5l h LEU 41 N 0.00 0.62 -0.15 0.99 3.38 -1.82 -3.28 115.31 115.05 1s5l h LEU 41 Ca 0.00 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.40 1s5l h LEU 41 Cb 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1s5l h LEU 41 CO 0.00 1.42 -0.14 0.00 0.09 0.00 0.00 178.44 179.81 1s5l h ALA 42 N 0.50 -0.32 -0.74 1.53 0.00 -1.92 0.56 119.26 118.88 1s5l h ALA 42 Ca -0.15 0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1s5l h ALA 42 Cb 1.87 0.91 -0.13 0.00 0.00 0.00 0.00 17.79 20.44 1s5l h ALA 42 CO 0.21 -0.39 -0.36 1.88 0.00 0.00 0.00 179.25 180.59 1s5l h TYR 43 N -0.06 -1.01 0.00 0.00 -1.99 -1.89 0.50 116.97 112.53 1s5l h TYR 43 Ca 0.03 0.09 -0.10 0.00 2.00 0.00 0.00 58.73 60.74 1s5l h TYR 43 Cb 0.13 0.55 -0.01 0.00 2.00 0.00 0.00 36.73 39.40 1s5l h TYR 43 CO -0.75 -0.39 -0.47 -0.44 -0.00 0.00 0.00 178.16 176.11 1s5l h ASP 44 N -0.10 0.00 0.51 3.88 3.32 -1.36 2.20 116.42 124.86 1s5l h ASP 44 Ca 0.27 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.03 1s5l h ASP 44 Cb 0.57 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1s5l h ASP 44 CO -0.80 0.47 -1.43 0.58 -1.72 0.00 0.00 179.24 176.34 1s5l h VAL 45 N 0.00 1.27 0.00 -1.35 2.07 0.92 -3.36 116.25 115.80 1s5l h VAL 45 Ca -0.00 -2.89 -0.20 0.00 0.82 0.00 0.00 66.70 64.43 1s5l h VAL 45 Cb 1.11 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 33.67 1s5l h VAL 45 CO 0.06 0.84 -2.20 0.49 0.02 0.00 0.00 177.57 176.78 1s5l n PHE 46 N -3.48 0.00 -2.49 1.57 0.99 0.17 -5.04 117.46 109.18 1s5l n PHE 46 Ca -0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.30 1s5l n PHE 46 Cb 1.04 -0.76 0.00 0.00 -1.00 0.00 0.00 39.48 38.76 1s5l n PHE 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1s5l n GLY 47 N 1.53 -0.95 2.31 1.37 0.00 0.74 -5.00 105.19 105.20 1s5l n GLY 47 Ca -0.19 0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1s5l n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s5l n THR 48 N -1.26 0.93 0.00 2.61 -1.04 -1.12 -5.04 114.28 109.35 1s5l n THR 48 Ca 0.02 -4.66 0.00 0.00 -2.04 0.00 0.00 64.05 57.37 1s5l n THR 48 Cb 0.46 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 1s5l n THR 48 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1s5l n PRO 49 N 1.10 0.00 -3.93 -2.82 -0.02 -1.26 -4.84 135.00 123.23 1s5l n PRO 49 Ca 0.26 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.53 1s5l n PRO 49 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.93 1s5l n PRO 49 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1s5l s ARG 50 N 0.00 3.33 0.61 -0.52 0.52 -1.26 -4.93 118.95 116.70 1s5l s ARG 50 Ca 0.00 -0.83 0.26 0.00 -0.52 0.00 0.00 55.73 54.64 1s5l s ARG 50 Cb 0.00 -2.84 1.12 0.00 0.52 0.00 0.00 34.95 33.75 1s5l s ARG 50 CO 0.00 0.38 1.54 -1.00 0.02 0.00 0.00 175.30 176.24 1s5l h PRO 51 N 1.18 0.00 -0.20 3.54 0.13 -2.03 1.17 132.00 135.79 1s5l h PRO 51 Ca -0.51 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 1s5l h PRO 51 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1s5l h PRO 51 CO 0.60 0.00 -0.48 -0.44 -0.23 0.00 0.00 178.00 177.45 1s5l h ASP 52 N 0.00 0.58 -0.45 1.44 5.19 -1.97 -3.36 116.42 117.85 1s5l h ASP 52 Ca 0.33 -0.29 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 1s5l h ASP 52 Cb 2.11 -0.17 -0.08 0.00 0.18 0.00 0.00 39.33 41.37 1s5l h ASP 52 CO -0.00 0.97 0.08 -1.20 -3.12 0.00 0.00 179.24 175.97 1s5l n SER 53 N -3.99 3.70 0.00 6.45 7.64 0.40 -4.77 113.62 123.06 1s5l n SER 53 Ca -0.02 -3.33 0.00 0.00 1.01 0.00 0.00 58.87 56.53 1s5l n SER 53 Cb 0.56 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1s5l n SER 53 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1s5l n TYR 54 N -0.64 0.00 -3.84 1.43 4.01 -1.20 -4.76 117.16 112.17 1s5l n TYR 54 Ca 0.32 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.69 1s5l n TYR 54 Cb 1.10 -0.44 -0.07 0.00 -0.31 0.00 0.00 39.34 39.62 1s5l n TYR 54 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1s5l s TYR 55 N -1.18 3.53 -0.23 -0.72 1.51 -1.26 -4.98 117.35 114.02 1s5l s TYR 55 Ca 0.00 0.46 -0.29 0.00 -1.01 0.00 0.00 57.07 56.23 1s5l s TYR 55 Cb 0.00 -2.00 -0.00 0.00 -0.11 0.00 0.00 41.96 39.84 1s5l s TYR 55 CO 0.00 0.60 1.24 0.00 -1.11 0.00 0.00 175.55 176.27 1s5l s ALA 56 N -0.60 3.54 -0.11 3.71 0.00 -1.26 -4.81 121.76 122.24 1s5l s ALA 56 Ca 0.13 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 1s5l s ALA 56 Cb -0.12 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.28 1s5l s ALA 56 CO 0.02 -1.40 0.36 0.94 0.00 0.00 0.00 175.76 175.68 1s5l n GLN 57 N 6.86 0.00 -3.28 0.00 7.27 -1.26 -0.29 117.38 126.68 1s5l n GLN 57 Ca 0.14 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 57.05 1s5l n GLN 57 Cb 0.46 -0.34 0.08 0.00 2.41 0.00 0.00 30.24 32.84 1s5l n GLN 57 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1s5l n GLU 58 N 0.89 -3.99 -3.44 3.69 1.02 -1.26 -4.98 120.64 112.56 1s5l n GLU 58 Ca 0.07 0.84 -0.28 0.00 -0.02 0.00 0.00 57.16 57.76 1s5l n GLU 58 Cb -0.01 -5.74 -0.11 0.00 -0.02 0.00 0.00 31.44 25.55 1s5l n GLU 58 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1s5l s GLN 59 N -4.76 0.69 0.00 3.49 0.74 0.61 -5.01 119.66 115.41 1s5l s GLN 59 Ca 0.26 -1.62 0.11 0.00 0.05 0.00 0.00 55.36 54.15 1s5l s GLN 59 Cb -0.03 -1.35 0.64 0.00 1.10 0.00 0.00 33.01 33.37 1s5l s GLN 59 CO 0.72 -1.27 1.12 -2.13 -0.55 0.00 0.00 175.29 173.17 1s5l n ARG 60 N 3.60 0.58 -3.84 1.67 3.00 -1.26 -4.40 116.66 116.00 1s5l n ARG 60 Ca 0.18 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.79 1s5l n ARG 60 Cb 0.41 -1.29 -0.02 0.00 0.00 0.00 0.00 32.46 31.56 1s5l n ARG 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1s5l s SER 61 N -1.76 6.33 -0.25 6.15 1.04 -1.26 -5.09 113.70 118.87 1s5l s SER 61 Ca 0.16 0.20 -0.09 0.00 0.48 0.00 0.00 55.95 56.70 1s5l s SER 61 Cb 0.07 -1.92 -0.04 0.00 0.10 0.00 0.00 66.02 64.23 1s5l s SER 61 CO 0.12 -0.05 0.13 -0.63 0.98 0.00 0.00 173.24 173.79 1s5l s ILE 62 N -1.93 4.94 0.12 -1.02 1.01 -1.26 -4.95 121.20 118.10 1s5l s ILE 62 Ca 0.36 0.04 -0.33 0.00 0.00 0.00 0.00 60.65 60.71 1s5l s ILE 62 Cb -0.10 -3.31 -0.13 0.00 0.01 0.00 0.00 42.46 38.93 1s5l s ILE 62 CO 0.30 0.32 1.67 -0.81 0.00 0.00 0.00 174.94 176.42 1s5l n PRO 63 N 4.67 2.27 -4.35 2.79 -0.04 -1.26 -4.95 135.00 134.13 1s5l n PRO 63 Ca -0.15 0.82 -0.30 0.00 -0.04 0.00 0.00 63.50 63.83 1s5l n PRO 63 Cb 0.52 -2.63 -0.04 0.00 -0.04 0.00 0.00 33.50 31.31 1s5l n PRO 63 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1s5l s LEU 64 N 1.69 2.50 -0.03 1.53 2.96 -1.26 -5.13 118.68 120.94 1s5l s LEU 64 Ca 0.81 -1.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.29 1s5l s LEU 64 Cb -0.65 -0.96 0.01 0.00 0.50 0.00 0.00 46.19 45.09 1s5l s LEU 64 CO 0.40 -0.96 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.69 1s5l s VAL 65 N -2.82 0.84 0.01 1.68 1.01 -1.26 -4.97 120.40 114.89 1s5l s VAL 65 Ca 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1s5l s VAL 65 Cb -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1s5l s VAL 65 CO 0.12 0.27 0.00 0.41 0.00 0.00 0.00 175.10 175.89 1s5l n THR 66 N 3.41 0.15 -2.97 3.92 -1.04 -1.26 -5.04 114.28 111.45 1s5l n THR 66 Ca -0.19 0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.47 1s5l n THR 66 Cb 0.54 -1.44 -0.05 0.00 -1.82 0.00 0.00 70.33 67.55 1s5l n THR 66 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1s5l s ASP 67 N -5.12 7.21 0.33 8.00 1.01 -1.26 -4.94 116.67 121.90 1s5l s ASP 67 Ca 0.00 1.45 0.05 0.00 0.71 0.00 0.00 52.55 54.76 1s5l s ASP 67 Cb 0.00 -2.47 0.59 0.00 1.01 0.00 0.00 42.92 42.05 1s5l s ASP 67 CO 0.00 -0.00 1.84 -0.09 0.21 0.00 0.00 175.17 177.13 1s5l h ARG 68 N 5.75 0.44 0.00 8.23 2.43 -2.02 -3.17 114.38 126.04 1s5l h ARG 68 Ca -0.44 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1s5l h ARG 68 Cb 1.21 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1s5l h ARG 68 CO 0.71 0.55 -1.10 1.19 -1.51 0.00 0.00 179.97 179.81 1s5l n PHE 69 N -4.23 0.30 -0.68 2.20 3.01 -1.26 -4.27 117.46 112.53 1s5l n PHE 69 Ca 0.00 0.09 0.09 0.00 1.01 0.00 0.00 57.45 58.64 1s5l n PHE 69 Cb 0.29 -0.48 0.35 0.00 -0.01 0.00 0.00 39.48 39.63 1s5l n PHE 69 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1s5l n GLU 70 N -2.04 3.81 -0.25 -1.08 1.02 -1.20 -4.57 120.64 116.32 1s5l n GLU 70 Ca 0.01 -2.88 -0.04 0.00 -0.02 0.00 0.00 57.16 54.22 1s5l n GLU 70 Cb 0.45 -1.91 0.01 0.00 -0.02 0.00 0.00 31.44 29.97 1s5l n GLU 70 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s5l h ALA 71 N 3.73 -0.02 0.29 0.62 0.00 -1.73 0.63 119.26 122.78 1s5l h ALA 71 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1s5l h ALA 71 Cb 1.50 0.86 -0.00 0.00 0.00 0.00 0.00 17.79 20.15 1s5l h ALA 71 CO 0.26 -0.68 -0.17 -0.22 0.00 0.00 0.00 179.25 178.44 1s5l h LYS 72 N -0.12 -0.43 0.00 0.00 3.64 -1.93 0.39 116.57 118.12 1s5l h LYS 72 Ca 0.26 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1s5l h LYS 72 Cb 0.56 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1s5l h LYS 72 CO -0.76 -0.28 -0.19 0.37 -2.27 0.00 0.00 179.45 176.31 1s5l h GLN 73 N -0.44 0.00 0.61 1.90 4.15 -1.67 -2.23 115.11 117.42 1s5l h GLN 73 Ca -0.03 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1s5l h GLN 73 Cb 0.36 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.06 1s5l h GLN 73 CO 0.03 0.19 -0.29 1.96 -1.93 0.00 0.00 178.83 178.79 1s5l h GLN 74 N 0.00 -0.78 -0.87 1.69 1.08 0.96 -1.77 115.11 115.42 1s5l h GLN 74 Ca -0.00 0.05 0.22 0.00 -1.45 0.00 0.00 58.65 57.47 1s5l h GLN 74 Cb 0.39 0.18 -0.15 0.00 -0.05 0.00 0.00 27.48 27.85 1s5l h GLN 74 CO 0.02 -0.52 0.09 0.28 -0.95 0.00 0.00 178.83 177.75 1s5l h VAL 75 N -1.01 0.23 -0.44 -0.54 2.07 -0.76 0.48 116.25 116.29 1s5l h VAL 75 Ca -0.08 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1s5l h VAL 75 Cb 0.62 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1s5l h VAL 75 CO 0.14 0.02 0.26 -0.08 0.02 0.00 0.00 177.57 177.93 1s5l h GLU 76 N 0.11 0.60 -0.69 1.57 4.81 -1.32 -0.06 114.58 119.59 1s5l h GLU 76 Ca 0.52 -0.05 0.20 0.00 -0.13 0.00 0.00 59.36 59.89 1s5l h GLU 76 Cb 1.01 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1s5l h GLU 76 CO -0.74 0.44 0.71 1.15 -0.73 0.00 0.00 179.01 179.84 1s5l h THR 77 N 0.58 0.27 0.03 0.32 2.02 0.88 0.34 112.91 117.36 1s5l h THR 77 Ca 0.16 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 67.08 1s5l h THR 77 Cb -0.00 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1s5l h THR 77 CO -0.03 0.00 -1.37 -0.26 0.37 0.00 0.00 175.52 174.23 1s5l h PHE 78 N 0.00 0.11 0.01 3.16 -1.00 -0.56 -3.27 116.94 115.40 1s5l h PHE 78 Ca 0.33 -0.08 -0.20 0.00 2.81 0.00 0.00 57.97 60.83 1s5l h PHE 78 Cb 1.75 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.29 1s5l h PHE 78 CO 0.00 1.10 -0.89 -0.07 -1.61 0.00 0.00 178.31 176.83 1s5l h LEU 79 N 0.02 0.15 -0.79 1.54 3.38 0.05 -3.08 115.31 116.58 1s5l h LEU 79 Ca -0.16 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 1s5l h LEU 79 Cb 1.91 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1s5l h LEU 79 CO 0.12 0.97 -0.21 -0.33 0.09 0.00 0.00 178.44 179.08 1s5l h GLU 80 N 0.06 0.68 0.82 1.13 4.39 -1.41 -3.08 114.58 117.16 1s5l h GLU 80 Ca -0.03 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 1s5l h GLU 80 Cb 1.55 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 30.16 1s5l h GLU 80 CO 0.13 0.84 -0.39 0.37 -1.16 0.00 0.00 179.01 178.80 1s5l h GLN 81 N 0.60 -1.06 -0.90 2.33 4.15 -1.60 -2.64 115.11 115.99 1s5l h GLN 81 Ca 0.09 0.07 0.23 0.00 0.77 0.00 0.00 58.65 59.81 1s5l h GLN 81 Cb 0.68 0.24 -0.06 0.00 0.21 0.00 0.00 27.48 28.56 1s5l h GLN 81 CO 0.05 -0.70 0.61 -0.07 -1.93 0.00 0.00 178.83 176.79 1s5l h LEU 82 N -1.11 0.27 0.00 -2.39 3.38 -1.57 -3.50 115.31 110.39 1s5l h LEU 82 Ca -0.11 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1s5l h LEU 82 Cb 0.84 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1s5l h LEU 82 CO 0.18 0.10 0.00 1.17 0.09 0.00 0.00 178.44 179.98