#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsh n ARG 2 N 0.00 0.00 0.00 -1.46 0.00 -1.26 -5.14 116.66 108.80 1nsh n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1nsh n ARG 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1nsh n ARG 2 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1nsh n PRO 3 N -2.15 1.77 -4.04 -0.14 -0.02 -1.26 -5.04 135.00 124.11 1nsh n PRO 3 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1nsh n PRO 3 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1nsh n PRO 3 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1nsh s THR 4 N 0.00 4.66 0.24 3.45 -1.32 -1.26 -5.00 115.64 116.42 1nsh s THR 4 Ca 0.00 -0.89 -0.09 0.00 -1.21 0.00 0.00 61.69 59.50 1nsh s THR 4 Cb 0.00 -3.33 0.31 0.00 -1.51 0.00 0.00 72.50 67.97 1nsh s THR 4 CO 0.00 -0.01 1.61 -0.08 -2.21 0.00 0.00 174.62 173.93 1nsh h GLU 5 N 2.71 0.03 -0.62 7.08 4.81 -2.00 0.31 114.58 126.90 1nsh h GLU 5 Ca -0.47 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 1nsh h GLU 5 Cb 1.18 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1nsh h GLU 5 CO 0.66 0.02 0.18 1.15 -0.73 0.00 0.00 179.01 180.28 1nsh h THR 6 N 0.03 1.25 -0.88 0.32 2.02 -1.99 -2.31 112.91 111.34 1nsh h THR 6 Ca 0.40 -0.88 0.24 0.00 0.77 0.00 0.00 66.41 66.94 1nsh h THR 6 Cb 0.66 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 1nsh h THR 6 CO -0.77 0.33 0.62 -0.33 0.37 0.00 0.00 175.52 175.74 1nsh h GLU 7 N 0.90 0.12 0.00 6.66 4.39 -0.80 0.65 114.58 126.51 1nsh h GLU 7 Ca 0.20 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.72 1nsh h GLU 7 Cb 0.32 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1nsh h GLU 7 CO -0.00 0.08 -0.81 -0.09 -1.16 0.00 0.00 179.01 177.03 1nsh h ARG 8 N 0.13 0.00 -0.12 2.33 1.12 -0.82 -3.08 114.38 113.94 1nsh h ARG 8 Ca 0.43 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 59.08 1nsh h ARG 8 Cb 1.51 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.48 1nsh h ARG 8 CO -0.06 0.81 -0.78 0.00 -3.11 0.00 0.00 179.97 176.83 1nsh h ILE 10 N 0.44 0.49 -0.57 0.00 5.03 -1.22 -3.14 117.51 118.54 1nsh h ILE 10 Ca -0.06 -0.53 0.17 0.00 -0.12 0.00 0.00 64.86 64.31 1nsh h ILE 10 Cb 1.42 0.71 -0.02 0.00 -3.03 0.00 0.00 36.82 35.90 1nsh h ILE 10 CO 0.16 0.08 0.52 -0.33 -0.68 0.00 0.00 178.15 177.90 1nsh h GLU 11 N -0.90 0.00 0.24 2.37 5.08 -1.67 -2.17 114.58 117.54 1nsh h GLU 11 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1nsh h GLU 11 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1nsh h GLU 11 CO 0.09 0.00 -0.12 0.77 -1.00 0.00 0.00 179.01 178.76 1nsh h SER 12 N 0.00 -0.27 0.31 1.42 0.02 -1.53 -2.97 113.55 110.52 1nsh h SER 12 Ca 0.27 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1nsh h SER 12 Cb 1.30 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 1nsh h SER 12 CO -0.00 0.23 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.66 1nsh h LEU 13 N -0.93 0.00 -0.61 5.07 -0.00 -1.43 -1.80 115.31 115.62 1nsh h LEU 13 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.71 1nsh h LEU 13 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 1nsh h LEU 13 CO 0.05 0.18 -0.35 0.40 -0.00 0.00 0.00 178.44 178.73 1nsh h ILE 14 N 0.00 1.28 0.04 1.22 2.04 -1.49 -3.21 117.51 117.39 1nsh h ILE 14 Ca -0.00 -1.50 -0.28 0.00 1.00 0.00 0.00 64.86 64.08 1nsh h ILE 14 Cb 0.39 1.41 0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1nsh h ILE 14 CO 0.02 0.49 -1.10 0.00 0.00 0.00 0.00 178.15 177.56 1nsh h ALA 15 N 1.01 0.10 -0.94 1.87 0.00 -1.26 -1.73 119.26 118.30 1nsh h ALA 15 Ca 0.06 -0.72 0.24 0.00 0.00 0.00 0.00 54.91 54.48 1nsh h ALA 15 Cb 0.87 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1nsh h ALA 15 CO 0.08 0.70 0.64 -0.39 0.00 0.00 0.00 179.25 180.27 1nsh h VAL 16 N 0.35 0.60 0.00 0.00 -1.51 -1.37 0.71 116.25 115.04 1nsh h VAL 16 Ca -0.15 -0.10 -0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1nsh h VAL 16 Cb 1.76 0.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1nsh h VAL 16 CO 0.21 0.05 -0.03 0.15 -1.23 0.00 0.00 177.57 176.72 1nsh h PHE 17 N 0.29 0.00 0.00 5.19 3.57 -1.54 -3.38 116.94 121.07 1nsh h PHE 17 Ca 0.49 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.94 1nsh h PHE 17 Cb 1.42 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 1nsh h PHE 17 CO -0.00 0.10 -0.25 -0.56 -2.23 0.00 0.00 178.31 175.37 1nsh h GLN 18 N -1.00 0.00 -0.22 1.11 -0.00 -0.95 -0.43 115.11 113.62 1nsh h GLN 18 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.70 1nsh h GLN 18 Cb 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.55 1nsh h GLN 18 CO -0.00 0.25 -0.15 -0.22 -0.00 0.00 0.00 178.83 178.71 1nsh h LYS 19 N 0.00 -0.14 0.23 0.06 1.63 0.24 1.29 116.57 119.87 1nsh h LYS 19 Ca -0.00 0.01 -0.31 0.00 -0.85 0.00 0.00 60.65 59.49 1nsh h LYS 19 Cb 0.73 0.03 0.03 0.00 -0.60 0.00 0.00 32.23 32.42 1nsh h LYS 19 CO 0.03 -0.10 -1.40 1.88 -3.45 0.00 0.00 179.45 176.41 1nsh h TYR 20 N -0.15 0.87 0.00 1.91 0.05 -1.73 -3.26 116.97 114.66 1nsh h TYR 20 Ca 0.13 -0.64 0.00 0.00 0.05 0.00 0.00 58.73 58.27 1nsh h TYR 20 Cb 0.34 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1nsh h TYR 20 CO -0.31 1.54 0.00 0.00 -1.05 0.00 0.00 178.16 178.34 1nsh n ALA 21 N -2.74 1.19 -0.91 3.88 0.00 -0.18 -4.19 120.51 117.57 1nsh n ALA 21 Ca -0.18 0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 1nsh n ALA 21 Cb 1.05 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 1nsh n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nsh n GLY 22 N -1.02 2.73 0.07 0.00 0.00 0.44 -4.27 105.19 103.15 1nsh n GLY 22 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1nsh n GLY 22 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nsh h LYS 23 N 7.27 0.00 -4.68 1.61 3.64 -1.85 -3.49 116.57 119.06 1nsh h LYS 23 Ca 0.43 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.47 1nsh h LYS 23 Cb 0.43 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.11 1nsh h LYS 23 CO 1.71 0.82 -0.53 -0.51 -2.27 0.00 0.00 179.45 178.67 1nsh s ASP 24 N -6.20 0.88 0.22 4.20 1.11 -1.26 -5.06 116.67 110.57 1nsh s ASP 24 Ca -0.18 -1.55 0.12 0.00 0.18 0.00 0.00 52.55 51.12 1nsh s ASP 24 Cb -0.01 0.48 0.03 0.00 1.07 0.00 0.00 42.92 44.49 1nsh s ASP 24 CO 0.56 -0.97 1.42 1.23 1.18 0.00 0.00 175.17 178.58 1nsh h GLY 25 N 2.36 0.00 -3.84 0.21 0.00 -1.98 -3.24 103.07 96.59 1nsh h GLY 25 Ca -0.30 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.50 1nsh h GLY 25 CO 0.44 0.00 0.63 1.42 0.00 0.00 0.00 176.54 179.03 1nsh n HIS 26 N -3.35 2.96 -3.77 5.60 8.25 -1.26 -4.91 115.22 118.74 1nsh n HIS 26 Ca 0.01 -2.12 -0.13 0.00 -0.26 0.00 0.00 57.72 55.22 1nsh n HIS 26 Cb 0.79 -1.03 -0.11 0.00 1.12 0.00 0.00 29.99 30.76 1nsh n HIS 26 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1nsh s SER 27 N -1.57 -0.30 -0.38 0.41 0.01 -1.22 -5.09 113.70 105.57 1nsh s SER 27 Ca 0.58 0.58 0.10 0.00 1.31 0.00 0.00 55.95 58.52 1nsh s SER 27 Cb 0.48 0.59 0.31 0.00 0.21 0.00 0.00 66.02 67.61 1nsh s SER 27 CO 0.07 -0.10 0.65 0.55 0.41 0.00 0.00 173.24 174.82 1nsh n VAL 28 N 2.90 -0.37 -4.06 3.43 3.14 -1.26 -4.54 118.33 117.58 1nsh n VAL 28 Ca -0.13 -4.36 -0.15 0.00 -2.96 0.00 0.00 64.34 56.75 1nsh n VAL 28 Cb 0.58 -0.91 -0.03 0.00 -1.06 0.00 0.00 33.84 32.42 1nsh n VAL 28 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1nsh n THR 29 N 0.72 0.00 -3.11 1.55 -2.24 -1.26 -4.38 114.28 105.56 1nsh n THR 29 Ca 0.23 -1.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.25 1nsh n THR 29 Cb 0.61 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1nsh n THR 29 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1nsh n LEU 30 N 0.00 0.00 -3.87 3.22 -0.00 -1.26 -4.21 117.00 110.88 1nsh n LEU 30 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.85 1nsh n LEU 30 Cb 0.57 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.84 1nsh n LEU 30 CO 0.28 0.00 -0.39 -0.55 -0.00 0.00 0.00 177.39 176.74 1nsh s SER 31 N 0.78 0.56 0.30 1.96 0.15 -1.26 0.82 113.70 117.00 1nsh s SER 31 Ca 0.00 -0.06 0.06 0.00 0.70 0.00 0.00 55.95 56.65 1nsh s SER 31 Cb 0.00 -0.24 0.78 0.00 -1.71 0.00 0.00 66.02 64.85 1nsh s SER 31 CO 0.00 -0.05 1.74 0.07 1.20 0.00 0.00 173.24 176.20 1nsh h LYS 32 N 6.93 0.61 -0.09 5.44 5.09 -1.99 0.20 116.57 132.74 1nsh h LYS 32 Ca -0.38 -0.04 -0.20 0.00 0.09 0.00 0.00 60.65 60.12 1nsh h LYS 32 Cb 1.15 -0.14 0.01 0.00 0.10 0.00 0.00 32.23 33.36 1nsh h LYS 32 CO 0.48 0.40 -0.74 1.15 -2.09 0.00 0.00 179.45 178.66 1nsh h THR 33 N 0.63 1.32 -0.32 0.07 2.02 -2.01 -3.07 112.91 111.55 1nsh h THR 33 Ca 0.59 -1.99 0.03 0.00 0.77 0.00 0.00 66.41 65.81 1nsh h THR 33 Cb 1.03 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.60 1nsh h THR 33 CO -0.44 0.62 0.22 -0.33 0.37 0.00 0.00 175.52 175.95 1nsh h GLU 34 N 0.33 0.30 0.00 6.66 5.08 -1.31 0.14 114.58 125.77 1nsh h GLU 34 Ca -0.07 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1nsh h GLU 34 Cb 1.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1nsh h GLU 34 CO 0.15 0.20 -0.31 0.35 -1.00 0.00 0.00 179.01 178.39 1nsh h PHE 35 N 0.31 0.00 0.51 4.33 3.04 -0.65 -3.02 116.94 121.46 1nsh h PHE 35 Ca 0.13 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 1nsh h PHE 35 Cb 0.15 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 1nsh h PHE 35 CO -0.00 0.31 -0.48 -0.07 -2.02 0.00 0.00 178.31 176.06 1nsh h LEU 36 N 0.00 -1.29 -0.49 0.59 -0.00 -0.62 -0.89 115.31 112.61 1nsh h LEU 36 Ca -0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1nsh h LEU 36 Cb 0.70 0.42 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 1nsh h LEU 36 CO 0.04 -0.65 0.32 0.28 -0.00 0.00 0.00 178.44 178.43 1nsh h SER 37 N -0.98 0.56 -0.15 -0.43 0.02 -1.58 -1.35 113.55 109.64 1nsh h SER 37 Ca -0.06 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1nsh h SER 37 Cb 0.85 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1nsh h SER 37 CO -0.04 0.42 0.14 -0.26 -1.14 0.00 0.00 176.83 175.95 1nsh h PHE 38 N 0.66 0.00 0.06 3.45 0.04 -1.38 -1.58 116.94 118.18 1nsh h PHE 38 Ca 0.18 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 1nsh h PHE 38 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1nsh h PHE 38 CO -0.04 0.00 -0.03 1.98 -0.60 0.00 0.00 178.31 179.62 1nsh h MET 39 N 0.00 -0.07 0.00 1.51 4.05 -0.10 -2.28 114.93 118.04 1nsh h MET 39 Ca 0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1nsh h MET 39 Cb 0.35 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1nsh h MET 39 CO -0.00 0.31 0.12 -0.91 0.23 0.00 0.00 176.91 176.66 1nsh h ASN 40 N -0.99 0.00 0.16 1.39 2.35 -0.99 1.51 115.58 119.02 1nsh h ASN 40 Ca -0.01 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1nsh h ASN 40 Cb 0.41 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.72 1nsh h ASN 40 CO 0.01 0.00 -2.17 1.07 -1.65 0.00 0.00 177.43 174.69 1nsh n THR 41 N -2.96 1.47 0.00 2.81 5.66 -0.63 -4.43 114.28 116.21 1nsh n THR 41 Ca -0.03 -0.82 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 1nsh n THR 41 Cb 0.18 -0.72 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 1nsh n THR 41 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1nsh n GLU 42 N -2.89 0.63 -1.30 1.09 1.02 -0.81 -4.79 120.64 113.59 1nsh n GLU 42 Ca -0.29 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.63 1nsh n GLU 42 Cb 1.11 -0.81 0.12 0.00 -0.02 0.00 0.00 31.44 31.84 1nsh n GLU 42 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nsh n LEU 43 N -1.96 6.10 0.11 -4.62 4.77 0.42 -4.53 117.00 117.29 1nsh n LEU 43 Ca 0.00 -4.10 -0.02 0.00 -0.03 0.00 0.00 56.01 51.86 1nsh n LEU 43 Cb 0.31 -0.75 0.04 0.00 -2.33 0.00 0.00 43.42 40.69 1nsh n LEU 43 CO 0.00 1.44 0.36 0.00 -1.33 0.00 0.00 177.39 177.86 1nsh h ALA 44 N 1.56 0.65 -0.44 -1.18 0.00 0.12 -3.15 119.26 116.82 1nsh h ALA 44 Ca 0.48 -0.67 0.13 0.00 0.00 0.00 0.00 54.91 54.84 1nsh h ALA 44 Cb 1.62 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1nsh h ALA 44 CO 1.04 0.92 0.39 0.00 0.00 0.00 0.00 179.25 181.59 1nsh h ALA 45 N 1.26 2.23 0.00 0.00 0.00 -1.84 0.86 119.26 121.78 1nsh h ALA 45 Ca -0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1nsh h ALA 45 Cb 1.42 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1nsh h ALA 45 CO 0.10 -0.61 -1.31 0.74 0.00 0.00 0.00 179.25 178.17 1nsh h PHE 46 N 0.00 0.00 0.07 0.00 -1.00 -1.90 -3.15 116.94 110.96 1nsh h PHE 46 Ca 0.21 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.71 1nsh h PHE 46 Cb 0.98 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.52 1nsh h PHE 46 CO 0.00 0.82 -1.40 1.79 -1.61 0.00 0.00 178.31 177.91 1nsh h THR 47 N 0.00 1.28 -0.03 -1.55 1.35 -0.52 -2.92 112.91 110.52 1nsh h THR 47 Ca -0.15 -2.96 -0.15 0.00 -0.55 0.00 0.00 66.41 62.59 1nsh h THR 47 Cb 1.76 2.75 -0.01 0.00 -1.73 0.00 0.00 68.15 70.91 1nsh h THR 47 CO 0.08 0.81 -0.66 0.07 -0.25 0.00 0.00 175.52 175.57 1nsh h LYS 48 N 0.04 0.15 -1.17 4.72 2.10 0.40 -3.23 116.57 119.58 1nsh h LYS 48 Ca -0.18 -0.12 -0.60 0.00 -2.00 0.00 0.00 60.65 57.75 1nsh h LYS 48 Cb 1.95 0.02 -0.40 0.00 -0.90 0.00 0.00 32.23 32.91 1nsh h LYS 48 CO 0.14 0.76 -0.42 0.09 -2.00 0.00 0.00 179.45 178.02 1nsh n ASN 49 N -3.80 5.41 0.46 7.07 4.13 -1.19 -4.83 115.26 122.51 1nsh n ASN 49 Ca -0.02 -3.75 -0.18 0.00 1.68 0.00 0.00 54.58 52.31 1nsh n ASN 49 Cb 0.65 -0.52 -0.09 0.00 -1.54 0.00 0.00 39.78 38.28 1nsh n ASN 49 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1nsh h GLN 50 N 2.38 -1.14 -2.15 3.52 1.08 -1.53 -3.46 115.11 113.80 1nsh h GLN 50 Ca 0.39 0.08 -0.41 0.00 -1.45 0.00 0.00 58.65 57.25 1nsh h GLN 50 Cb 1.09 0.26 -0.08 0.00 -0.05 0.00 0.00 27.48 28.70 1nsh h GLN 50 CO 0.95 -0.76 -0.46 1.63 -0.95 0.00 0.00 178.83 179.24 1nsh n LYS 51 N -5.22 -1.60 -3.27 1.46 5.02 -1.26 -4.91 118.16 108.38 1nsh n LYS 51 Ca -0.15 1.09 0.03 0.00 -2.02 0.00 0.00 58.31 57.27 1nsh n LYS 51 Cb 0.46 -5.63 -0.04 0.00 -0.02 0.00 0.00 35.03 29.81 1nsh n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nsh s ASP 52 N -2.35 -0.32 0.00 4.39 2.15 -1.26 -5.02 116.67 114.25 1nsh s ASP 52 Ca 0.00 0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.38 1nsh s ASP 52 Cb 0.00 1.35 0.00 0.00 -0.30 0.00 0.00 42.92 43.97 1nsh s ASP 52 CO 0.00 -0.06 0.67 -2.65 -0.17 0.00 0.00 175.17 172.96 1nsh n PRO 53 N 4.85 0.76 -0.08 4.34 -0.02 -1.26 -2.95 135.00 140.64 1nsh n PRO 53 Ca -0.08 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.44 1nsh n PRO 53 Cb 0.54 -1.09 0.08 0.00 -0.02 0.00 0.00 33.50 33.01 1nsh n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nsh n GLY 54 N 0.22 1.96 0.04 -1.23 0.00 -1.26 -4.40 105.19 100.53 1nsh n GLY 54 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 1nsh n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nsh h VAL 55 N 1.29 0.00 0.13 1.61 2.07 -1.83 -3.16 116.25 116.35 1nsh h VAL 55 Ca 0.00 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1nsh h VAL 55 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1nsh h VAL 55 CO 0.00 0.00 -0.06 0.25 0.02 0.00 0.00 177.57 177.78 1nsh h LEU 56 N -0.73 -0.15 -2.11 2.57 6.46 -1.85 -2.88 115.31 116.62 1nsh h LEU 56 Ca 0.00 -0.27 0.09 0.00 -0.12 0.00 0.00 57.88 57.58 1nsh h LEU 56 Cb 0.15 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 1nsh h LEU 56 CO 0.00 0.20 0.28 0.44 -0.62 0.00 0.00 178.44 178.74 1nsh h ASP 57 N -0.52 0.00 0.23 1.25 5.19 -1.79 -2.10 116.42 118.68 1nsh h ASP 57 Ca -0.02 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1nsh h ASP 57 Cb 0.41 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 1nsh h ASP 57 CO 0.03 0.00 -0.16 0.03 -3.12 0.00 0.00 179.24 176.02 1nsh h ARG 58 N 0.00 -0.37 0.05 3.56 3.08 -1.47 -0.78 114.38 118.45 1nsh h ARG 58 Ca 0.14 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.24 1nsh h ARG 58 Cb 0.69 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 1nsh h ARG 58 CO -0.00 -0.25 -0.22 0.00 -1.07 0.00 0.00 179.97 178.44 1nsh h MET 59 N -0.38 -0.36 -0.91 0.04 -0.00 -1.42 0.48 114.93 112.37 1nsh h MET 59 Ca -0.02 0.02 0.13 0.00 -0.00 0.00 0.00 59.70 59.83 1nsh h MET 59 Cb 0.33 0.08 -0.07 0.00 -0.00 0.00 0.00 31.60 31.94 1nsh h MET 59 CO 0.01 -0.24 0.58 0.52 -0.00 0.00 0.00 176.91 177.78 1nsh h MET 60 N -0.38 0.78 0.01 -0.10 2.86 -1.48 0.57 114.93 117.19 1nsh h MET 60 Ca 0.04 -0.05 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 1nsh h MET 60 Cb 0.43 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1nsh h MET 60 CO -0.16 0.51 -0.94 0.87 1.06 0.00 0.00 176.91 178.25 1nsh h LYS 61 N 0.80 0.07 0.00 1.72 1.57 -0.46 -3.24 116.57 117.02 1nsh h LYS 61 Ca 0.45 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 59.07 1nsh h LYS 61 Cb 0.59 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1nsh h LYS 61 CO -0.21 0.95 -0.34 0.87 -0.57 0.00 0.00 179.45 180.16 1nsh h LYS 62 N 0.03 0.00 -0.04 3.15 6.56 0.17 -3.23 116.57 123.22 1nsh h LYS 62 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1nsh h LYS 62 Cb 1.63 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.29 1nsh h LYS 62 CO 0.13 0.31 0.00 1.47 -2.06 0.00 0.00 179.45 179.30 1nsh n LEU 63 N -3.17 0.25 -3.43 2.94 -0.00 0.18 -4.66 117.00 109.12 1nsh n LEU 63 Ca 0.02 -0.12 -0.37 0.00 -0.00 0.00 0.00 56.01 55.55 1nsh n LEU 63 Cb 0.66 -0.02 -0.10 0.00 -0.00 0.00 0.00 43.42 43.96 1nsh n LEU 63 CO 0.38 0.06 1.38 -0.90 -0.00 0.00 0.00 177.39 178.31 1nsh n ASP 64 N -0.49 0.80 -4.83 1.45 5.75 -1.22 -4.85 116.55 113.16 1nsh n ASP 64 Ca 0.08 -2.38 -0.31 0.00 -0.01 0.00 0.00 54.79 52.17 1nsh n ASP 64 Cb 0.07 -0.49 0.04 0.00 -1.03 0.00 0.00 41.12 39.71 1nsh n ASP 64 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 1nsh s LEU 65 N 0.00 3.17 -0.19 -2.12 2.34 -1.26 -4.96 118.68 115.66 1nsh s LEU 65 Ca 0.56 1.57 0.10 0.00 0.06 0.00 0.00 54.13 56.43 1nsh s LEU 65 Cb 0.12 -4.49 0.60 0.00 -0.56 0.00 0.00 46.19 41.86 1nsh s LEU 65 CO 0.29 -1.29 1.44 0.59 -1.06 0.00 0.00 176.35 176.31 1nsh n ASN 66 N -3.00 4.44 -0.03 1.48 3.02 -1.26 -4.08 115.26 115.82 1nsh n ASN 66 Ca 0.07 -2.72 -0.11 0.00 -0.03 0.00 0.00 54.58 51.79 1nsh n ASN 66 Cb 0.54 -0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 38.92 1nsh n ASN 66 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1nsh n SER 67 N 0.37 0.97 -2.22 6.41 7.64 -1.26 -4.95 113.62 120.58 1nsh n SER 67 Ca 0.22 0.31 -0.10 0.00 1.01 0.00 0.00 58.87 60.31 1nsh n SER 67 Cb 0.98 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 64.12 1nsh n SER 67 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1nsh n ASP 68 N -3.07 -3.31 0.06 6.43 8.00 -1.26 -4.73 116.55 118.67 1nsh n ASP 68 Ca -0.22 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1nsh n ASP 68 Cb 1.06 -2.90 0.00 0.00 -0.02 0.00 0.00 41.12 39.26 1nsh n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nsh n GLY 69 N -0.64 -0.08 2.76 0.44 0.00 -1.26 -5.15 105.19 101.25 1nsh n GLY 69 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1nsh n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nsh n GLN 70 N -3.43 0.64 0.00 1.61 1.13 -1.26 -5.08 117.38 110.99 1nsh n GLN 70 Ca 0.00 -2.12 0.00 0.00 -1.94 0.00 0.00 57.00 52.94 1nsh n GLN 70 Cb 0.00 2.16 0.00 0.00 0.11 0.00 0.00 30.24 32.51 1nsh n GLN 70 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1nsh n LEU 71 N 0.00 0.00 0.00 1.08 7.99 0.24 -4.83 117.00 121.48 1nsh n LEU 71 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1nsh n LEU 71 Cb 0.47 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 1nsh n LEU 71 CO 0.23 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.44 1nsh n ASP 72 N 0.00 0.00 0.12 -1.43 2.03 -1.26 -4.56 116.55 111.44 1nsh n ASP 72 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1nsh n ASP 72 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1nsh n ASP 72 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1nsh h PHE 73 N 0.00 -0.36 0.00 -0.67 -0.00 -1.99 -3.32 116.94 110.61 1nsh h PHE 73 Ca 0.00 -0.01 -0.12 0.00 -0.00 0.00 0.00 57.97 57.85 1nsh h PHE 73 Cb 0.00 0.12 -0.02 0.00 -0.00 0.00 0.00 35.95 36.05 1nsh h PHE 73 CO 0.00 -0.14 -0.55 0.37 -0.00 0.00 0.00 178.31 177.98 1nsh h GLN 74 N -1.07 0.00 -1.38 6.09 -0.00 -1.98 -3.17 115.11 113.61 1nsh h GLN 74 Ca -0.04 0.00 0.41 0.00 -0.00 0.00 0.00 58.65 59.02 1nsh h GLN 74 Cb 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 27.77 1nsh h GLN 74 CO 0.06 0.55 0.95 0.93 0.00 0.00 0.00 178.83 181.32 1nsh h GLU 75 N 0.00 0.09 0.00 1.69 3.07 -1.92 3.03 114.58 120.54 1nsh h GLU 75 Ca -0.01 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1nsh h GLU 75 Cb 1.42 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.31 1nsh h GLU 75 CO 0.07 0.06 -0.01 0.35 -1.40 0.00 0.00 179.01 178.08 1nsh h PHE 76 N 0.09 0.00 -0.55 4.33 3.04 -1.65 -0.08 116.94 122.12 1nsh h PHE 76 Ca 0.72 0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.75 1nsh h PHE 76 Cb 2.56 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 41.04 1nsh h PHE 76 CO -0.00 0.60 0.37 -0.07 -2.02 0.00 0.00 178.31 177.18 1nsh h LEU 77 N -1.00 0.36 -0.04 0.59 3.38 -0.29 1.53 115.31 119.84 1nsh h LEU 77 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1nsh h LEU 77 Cb 0.60 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1nsh h LEU 77 CO -0.00 0.23 -0.77 -1.13 0.09 0.00 0.00 178.44 176.86 1nsh h ASN 78 N 0.41 0.75 0.52 -0.43 -1.24 0.51 1.26 115.58 117.36 1nsh h ASN 78 Ca 0.25 -0.71 -0.03 0.00 0.71 0.00 0.00 56.30 56.52 1nsh h ASN 78 Cb 0.45 -0.23 0.01 0.00 0.73 0.00 0.00 38.32 39.28 1nsh h ASN 78 CO -0.07 1.35 -0.25 -0.07 -1.29 0.00 0.00 177.43 177.11 1nsh h LEU 79 N 0.21 -0.60 -0.13 0.34 4.07 1.00 -0.80 115.31 119.40 1nsh h LEU 79 Ca -0.08 -0.06 -0.11 0.00 0.08 0.00 0.00 57.88 57.71 1nsh h LEU 79 Cb 1.44 0.15 0.00 0.00 1.08 0.00 0.00 40.66 43.33 1nsh h LEU 79 CO 0.15 -0.24 -0.35 -0.29 -1.08 0.00 0.00 178.44 176.63 1nsh h ILE 80 N -1.00 1.37 -0.35 1.22 -0.00 0.20 -3.08 117.51 115.86 1nsh h ILE 80 Ca -0.07 -1.64 0.07 0.00 -0.00 0.00 0.00 64.86 63.21 1nsh h ILE 80 Cb 0.62 2.07 -0.07 0.00 -0.00 0.00 0.00 36.82 39.44 1nsh h ILE 80 CO 0.12 0.49 -0.10 1.23 -0.00 0.00 0.00 178.15 179.89 1nsh h GLY 81 N 0.07 0.23 0.17 8.18 0.00 0.15 0.63 103.07 112.50 1nsh h GLY 81 Ca -0.01 0.13 0.18 0.00 0.00 0.00 0.00 47.33 47.64 1nsh h GLY 81 CO 0.08 -0.14 0.61 -1.33 0.00 0.00 0.00 176.54 175.75 1nsh h GLY 82 N -0.02 1.76 0.92 4.60 0.00 -1.17 0.29 103.07 109.46 1nsh h GLY 82 Ca 0.17 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.15 1nsh h GLY 82 CO -0.37 -0.04 0.24 1.41 0.00 0.00 0.00 176.54 177.78 1nsh h LEU 83 N 0.79 0.39 -1.64 3.11 3.38 -0.81 -0.59 115.31 119.94 1nsh h LEU 83 Ca 0.57 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.66 1nsh h LEU 83 Cb 0.84 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1nsh h LEU 83 CO -0.37 0.28 0.44 0.00 0.09 0.00 0.00 178.44 178.88 1nsh h ALA 84 N 1.17 2.08 0.00 1.53 0.00 -0.17 1.11 119.26 124.99 1nsh h ALA 84 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nsh h ALA 84 Cb -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1nsh h ALA 84 CO -0.07 -0.24 -0.23 0.28 0.00 0.00 0.00 179.25 178.99 1nsh h VAL 85 N 0.39 0.00 -0.12 0.00 2.07 -0.76 0.29 116.25 118.12 1nsh h VAL 85 Ca 0.31 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1nsh h VAL 85 Cb 0.69 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1nsh h VAL 85 CO -0.09 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.50 1nsh n ALA 86 N -1.94 2.15 0.00 1.67 0.00 0.70 -2.01 120.51 121.08 1nsh n ALA 86 Ca 0.04 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1nsh n ALA 86 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1nsh n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh n HIS 88 N -1.45 0.00 -4.43 0.00 8.25 -0.09 -5.00 115.22 112.50 1nsh n HIS 88 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1nsh n HIS 88 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1nsh n HIS 88 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1nsh s GLU 89 N 0.00 1.81 0.08 -0.41 2.12 0.85 -4.77 118.70 118.38 1nsh s GLU 89 Ca 0.00 -2.08 0.00 0.00 0.36 0.00 0.00 54.97 53.25 1nsh s GLU 89 Cb 0.00 -0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.07 1nsh s GLU 89 CO 0.00 -0.50 0.00 0.43 -0.54 0.00 0.00 175.26 174.65 1nsh n SER 90 N -1.25 -9.25 0.00 -1.70 7.64 -1.26 -3.64 113.62 104.16 1nsh n SER 90 Ca -0.02 1.68 0.00 0.00 1.01 0.00 0.00 58.87 61.54 1nsh n SER 90 Cb 0.64 -5.09 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 1nsh n SER 90 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1nsh n PHE 91 N 1.82 0.00 -0.28 1.43 3.01 -1.26 -4.39 117.46 117.79 1nsh n PHE 91 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1nsh n PHE 91 Cb 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.50 1nsh n PHE 91 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1nsh h VAL 92 N 0.00 0.11 -0.56 -4.37 2.07 -1.57 1.05 116.25 112.97 1nsh h VAL 92 Ca 0.00 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.30 1nsh h VAL 92 Cb 0.00 0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 29.75 1nsh h VAL 92 CO 0.00 0.00 0.28 2.29 0.02 0.00 0.00 177.57 180.16 1nsh n LYS 93 N -5.46 2.49 -0.90 1.57 2.85 -1.26 -3.93 118.16 113.52 1nsh n LYS 93 Ca 0.07 -2.05 -0.05 0.00 -1.05 0.00 0.00 58.31 55.24 1nsh n LYS 93 Cb 0.38 -1.87 -0.05 0.00 -0.65 0.00 0.00 35.03 32.84 1nsh n LYS 93 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nsh n ALA 94 N -0.23 3.27 -0.01 0.58 0.00 0.23 -5.01 120.51 119.34 1nsh n ALA 94 Ca 0.32 -0.61 -0.00 0.00 0.00 0.00 0.00 53.44 53.15 1nsh n ALA 94 Cb 1.14 -0.27 -0.00 0.00 0.00 0.00 0.00 19.45 20.32 1nsh n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh n ALA 95 N 0.02 0.05 -0.36 0.00 0.00 0.30 -3.83 120.51 116.69 1nsh n ALA 95 Ca -0.20 -0.16 0.28 0.00 0.00 0.00 0.00 53.44 53.36 1nsh n ALA 95 Cb 0.67 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.69 1nsh n ALA 95 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1nsh h PRO 96 N -0.10 0.27 0.00 0.00 0.13 -1.86 0.17 132.00 130.61 1nsh h PRO 96 Ca 0.00 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 1nsh h PRO 96 Cb 0.05 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1nsh h PRO 96 CO 0.00 0.18 -0.57 -1.35 -0.23 0.00 0.00 178.00 176.03 1nsh h PRO 97 N 0.28 0.00 0.02 1.56 0.11 -1.96 -3.28 132.00 128.73 1nsh h PRO 97 Ca 0.66 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.78 1nsh h PRO 97 Cb 1.86 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.95 1nsh h PRO 97 CO -0.31 0.57 -0.10 0.37 -0.21 0.00 0.00 178.00 178.31 1nsh h GLN 98 N 0.00 -0.18 -5.36 1.05 4.15 -0.75 -3.40 115.11 110.62 1nsh h GLN 98 Ca -0.01 0.01 -0.60 0.00 0.77 0.00 0.00 58.65 58.83 1nsh h GLN 98 Cb 1.18 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 28.80 1nsh h GLN 98 CO 0.07 -0.12 -0.37 -1.59 -1.93 0.00 0.00 178.83 174.89 1nsh s LYS 99 N -6.16 4.20 -0.10 1.69 -2.85 -1.21 -5.06 119.74 110.26 1nsh s LYS 99 Ca -0.14 -0.02 -0.30 0.00 -1.00 0.00 0.00 55.97 54.51 1nsh s LYS 99 Cb 0.08 -3.46 -0.02 0.00 -2.06 0.00 0.00 37.83 32.36 1nsh s LYS 99 CO 0.66 0.18 1.14 0.50 0.10 0.00 0.00 175.35 177.93 1nsh s ARG 100 N 0.68 4.35 0.00 1.78 3.52 -1.26 -4.89 118.95 123.13 1nsh s ARG 100 Ca 0.13 1.56 0.00 0.00 -0.13 0.00 0.00 55.73 57.30 1nsh s ARG 100 Cb -0.13 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 1nsh s ARG 100 CO 0.03 -0.45 0.00 0.34 -0.81 0.00 0.00 175.30 174.41