#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsh h ARG 2 N 0.00 0.00 0.00 4.33 3.08 -2.09 -3.47 114.38 116.22 1nsh h ARG 2 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nsh h ARG 2 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1nsh h ARG 2 CO 0.00 0.83 0.00 -2.30 -1.07 0.00 0.00 179.97 177.43 1nsh n PRO 3 N -4.46 0.46 -3.61 0.04 -0.02 -1.26 -5.10 135.00 121.04 1nsh n PRO 3 Ca -0.28 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.13 1nsh n PRO 3 Cb 0.61 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.04 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 0.00 0.27 3.45 -1.32 -1.26 -4.98 115.64 111.80 1nsh s THR 4 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 1nsh s THR 4 Cb 0.00 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.31 1nsh s THR 4 CO 0.00 0.00 1.62 -0.08 -2.21 0.00 0.00 174.62 173.95 1nsh h GLU 5 N 2.78 0.11 -0.61 7.08 4.57 -2.00 0.54 114.58 127.04 1nsh h GLU 5 Ca -0.18 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 57.94 1nsh h GLU 5 Cb 1.18 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.71 1nsh h GLU 5 CO 0.24 0.07 0.18 1.15 -1.18 0.00 0.00 179.01 179.47 1nsh h THR 6 N 0.12 1.25 -0.91 0.32 2.02 -1.99 -2.32 112.91 111.39 1nsh h THR 6 Ca 0.50 -0.86 0.21 0.00 0.77 0.00 0.00 66.41 67.03 1nsh h THR 6 Cb 0.96 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.94 1nsh h THR 6 CO -0.72 0.33 0.61 -0.33 0.37 0.00 0.00 175.52 175.77 1nsh h GLU 7 N 0.88 0.36 0.12 6.66 5.08 -0.33 0.18 114.58 127.54 1nsh h GLU 7 Ca 0.20 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.26 1nsh h GLU 7 Cb 0.31 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1nsh h GLU 7 CO -0.00 0.24 -1.21 -0.09 -1.00 0.00 0.00 179.01 176.94 1nsh h ARG 8 N 0.38 0.31 -0.62 2.33 2.43 -0.92 -2.84 114.38 115.45 1nsh h ARG 8 Ca 0.48 -0.50 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 1nsh h ARG 8 Cb 1.24 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.95 1nsh h ARG 8 CO -0.18 1.22 0.08 0.00 -1.51 0.00 0.00 179.97 179.58 1nsh h ILE 10 N 0.95 0.53 -0.59 0.00 5.03 -1.05 -3.06 117.51 119.31 1nsh h ILE 10 Ca 0.18 -0.75 0.17 0.00 -0.12 0.00 0.00 64.86 64.35 1nsh h ILE 10 Cb 0.46 0.84 -0.02 0.00 -3.03 0.00 0.00 36.82 35.07 1nsh h ILE 10 CO 0.02 0.12 0.52 -0.08 -0.68 0.00 0.00 178.15 178.05 1nsh h GLU 11 N -0.92 0.00 0.17 2.37 4.81 -1.54 -1.98 114.58 117.48 1nsh h GLU 11 Ca -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1nsh h GLU 11 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1nsh h GLU 11 CO 0.07 0.00 -0.08 0.77 -0.73 0.00 0.00 179.01 179.04 1nsh h SER 12 N 0.00 -0.19 -0.02 1.04 0.02 -1.46 -2.85 113.55 110.09 1nsh h SER 12 Ca 0.28 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1nsh h SER 12 Cb 1.33 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 1nsh h SER 12 CO -0.00 0.37 0.02 -0.07 -1.14 0.00 0.00 176.83 176.01 1nsh h LEU 13 N -0.95 0.00 -0.39 5.07 -0.00 -1.33 0.11 115.31 117.81 1nsh h LEU 13 Ca -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.69 1nsh h LEU 13 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1nsh h LEU 13 CO 0.04 0.00 -0.49 0.40 -0.00 0.00 0.00 178.44 178.39 1nsh h ILE 14 N 0.00 1.28 0.01 1.22 2.04 -1.46 -3.22 117.51 117.38 1nsh h ILE 14 Ca 0.01 -1.68 -0.20 0.00 1.00 0.00 0.00 64.86 63.99 1nsh h ILE 14 Cb 0.05 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1nsh h ILE 14 CO -0.00 0.55 -0.91 0.00 0.00 0.00 0.00 178.15 177.79 1nsh h ALA 15 N 0.79 0.48 -0.99 1.87 0.00 -1.01 -1.57 119.26 118.83 1nsh h ALA 15 Ca 0.03 -0.74 0.18 0.00 0.00 0.00 0.00 54.91 54.38 1nsh h ALA 15 Cb 1.07 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 1nsh h ALA 15 CO 0.11 0.93 0.61 -0.39 0.00 0.00 0.00 179.25 180.52 1nsh h VAL 16 N 0.10 0.75 0.09 0.00 -1.51 -1.03 0.34 116.25 115.00 1nsh h VAL 16 Ca -0.05 -0.26 -0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1nsh h VAL 16 Cb 1.55 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1nsh h VAL 16 CO 0.14 0.14 -0.04 0.15 -1.23 0.00 0.00 177.57 176.72 1nsh h PHE 17 N 0.75 -0.12 -1.11 5.19 3.04 -1.58 -3.32 116.94 119.80 1nsh h PHE 17 Ca 0.54 -0.00 0.32 0.00 3.98 0.00 0.00 57.97 62.81 1nsh h PHE 17 Cb 0.86 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 39.35 1nsh h PHE 17 CO -0.00 0.06 0.78 1.96 -2.02 0.00 0.00 178.31 179.09 1nsh h GLN 18 N -1.02 0.06 0.16 1.11 1.08 -0.84 0.97 115.11 116.62 1nsh h GLN 18 Ca -0.01 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1nsh h GLN 18 Cb 0.23 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1nsh h GLN 18 CO 0.02 0.04 -0.08 -0.22 -0.95 0.00 0.00 178.83 177.64 1nsh h LYS 19 N 0.06 -0.20 0.02 1.46 1.63 -0.43 1.05 116.57 120.15 1nsh h LYS 19 Ca 0.54 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.31 1nsh h LYS 19 Cb 2.04 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 33.71 1nsh h LYS 19 CO -0.05 -0.12 -0.22 1.88 -3.45 0.00 0.00 179.45 177.49 1nsh h TYR 20 N -0.23 0.06 0.05 1.91 0.05 -1.18 -3.37 116.97 114.26 1nsh h TYR 20 Ca -0.02 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.73 1nsh h TYR 20 Cb 0.18 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1nsh h TYR 20 CO -0.06 1.09 -0.13 0.00 -1.05 0.00 0.00 178.16 178.00 1nsh h ALA 21 N -0.04 -0.19 -3.00 3.88 0.00 0.83 -3.44 119.26 117.30 1nsh h ALA 21 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nsh h ALA 21 Cb 1.10 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1nsh h ALA 21 CO -0.01 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 179.01 1nsh n GLY 22 N -1.26 -2.88 2.47 0.00 0.00 0.36 -4.73 105.19 99.15 1nsh n GLY 22 Ca -0.06 -1.36 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 1nsh n GLY 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nsh n LYS 23 N -1.39 -4.81 -1.48 1.61 0.00 -1.26 -4.90 118.16 105.92 1nsh n LYS 23 Ca 0.00 3.57 0.11 0.00 0.00 0.00 0.00 58.31 61.99 1nsh n LYS 23 Cb 0.00 -4.88 -0.06 0.00 0.00 0.00 0.00 35.03 30.09 1nsh n LYS 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1nsh n ASP 24 N 1.74 -8.02 0.00 3.14 9.92 -1.26 -5.05 116.55 117.02 1nsh n ASP 24 Ca -0.25 1.61 0.00 0.00 -0.53 0.00 0.00 54.79 55.62 1nsh n ASP 24 Cb 0.38 -5.00 0.00 0.00 -0.64 0.00 0.00 41.12 35.87 1nsh n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nsh n GLY 25 N -3.75 0.05 3.98 0.44 0.00 -1.26 -5.05 105.19 99.61 1nsh n GLY 25 Ca -0.06 -1.63 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 1nsh n GLY 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nsh s HIS 26 N -2.95 3.26 0.54 1.61 2.46 -1.26 -4.99 115.29 113.96 1nsh s HIS 26 Ca 0.00 -0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.40 1nsh s HIS 26 Cb 0.00 -1.83 0.00 0.00 -0.13 0.00 0.00 32.58 30.62 1nsh s HIS 26 CO 0.00 0.17 0.00 0.43 -2.47 0.00 0.00 174.74 172.87 1nsh n SER 27 N -1.56 -7.60 -3.42 9.88 7.64 -1.26 -4.45 113.62 112.85 1nsh n SER 27 Ca -0.04 1.66 -0.40 0.00 1.01 0.00 0.00 58.87 61.10 1nsh n SER 27 Cb 0.58 -4.51 -0.02 0.00 -1.01 0.00 0.00 64.21 59.25 1nsh n SER 27 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1nsh n VAL 28 N -2.72 4.68 -4.58 0.44 0.24 -1.26 -4.88 118.33 110.24 1nsh n VAL 28 Ca -0.01 -3.42 -0.26 0.00 -2.04 0.00 0.00 64.34 58.61 1nsh n VAL 28 Cb 0.46 -2.38 -0.06 0.00 -1.47 0.00 0.00 33.84 30.40 1nsh n VAL 28 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1nsh n THR 29 N 2.85 0.00 0.00 3.34 -2.24 -1.26 -4.34 114.28 112.62 1nsh n THR 29 Ca 0.69 -2.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.39 1nsh n THR 29 Cb 0.25 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -3.64 3.22 0.00 -1.26 -4.42 117.00 110.90 1nsh n LEU 30 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.78 1nsh n LEU 30 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.90 1nsh n LEU 30 CO 0.29 0.00 0.56 -0.94 0.00 0.00 0.00 177.39 177.31 1nsh s SER 31 N 1.00 -0.64 0.41 1.96 1.04 -1.26 -3.25 113.70 112.96 1nsh s SER 31 Ca 0.00 1.15 0.19 0.00 0.48 0.00 0.00 55.95 57.77 1nsh s SER 31 Cb 0.00 1.20 1.12 0.00 0.10 0.00 0.00 66.02 68.44 1nsh s SER 31 CO 0.00 -0.19 1.79 0.07 0.98 0.00 0.00 173.24 175.89 1nsh h LYS 32 N 5.22 0.37 0.09 4.02 2.10 -1.97 0.14 116.57 126.55 1nsh h LYS 32 Ca -0.29 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1nsh h LYS 32 Cb 1.18 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1nsh h LYS 32 CO 0.11 0.25 -0.04 1.15 -2.00 0.00 0.00 179.45 178.91 1nsh h THR 33 N 0.38 1.07 -0.36 0.07 2.02 -1.97 0.32 112.91 114.45 1nsh h THR 33 Ca 0.56 -1.37 0.10 0.00 0.77 0.00 0.00 66.41 66.47 1nsh h THR 33 Cb 1.45 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 1nsh h THR 33 CO -0.25 0.30 0.30 -0.33 0.37 0.00 0.00 175.52 175.90 1nsh h GLU 34 N -0.84 0.00 0.10 6.66 5.08 -1.79 0.47 114.58 124.26 1nsh h GLU 34 Ca -0.01 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 1nsh h GLU 34 Cb 0.58 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.85 1nsh h GLU 34 CO 0.02 0.00 -0.90 0.35 -1.00 0.00 0.00 179.01 177.48 1nsh h PHE 35 N 0.00 0.71 0.00 4.33 3.04 -0.68 -2.81 116.94 121.54 1nsh h PHE 35 Ca 0.17 -0.46 -0.01 0.00 3.98 0.00 0.00 57.97 61.65 1nsh h PHE 35 Cb 0.76 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.22 1nsh h PHE 35 CO 0.00 1.32 -0.04 1.37 -2.02 0.00 0.00 178.31 178.94 1nsh h LEU 36 N -0.09 0.00 0.00 0.59 8.10 0.25 -1.67 115.31 122.48 1nsh h LEU 36 Ca -0.14 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.71 1nsh h LEU 36 Cb 1.65 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.85 1nsh h LEU 36 CO 0.17 0.04 -0.73 0.28 -4.11 0.00 0.00 178.44 174.09 1nsh h SER 37 N 0.00 0.00 0.74 0.17 0.02 -0.21 -3.19 113.55 111.08 1nsh h SER 37 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1nsh h SER 37 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1nsh h SER 37 CO 0.01 0.65 -0.21 0.15 -1.14 0.00 0.00 176.83 176.29 1nsh h PHE 38 N 0.00 0.00 -0.18 3.45 3.04 -1.03 -2.90 116.94 119.32 1nsh h PHE 38 Ca -0.02 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.75 1nsh h PHE 38 Cb 1.52 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.03 1nsh h PHE 38 CO 0.00 0.21 -0.56 1.98 -2.02 0.00 0.00 178.31 177.92 1nsh h MET 39 N 0.00 0.70 0.00 1.11 4.05 -1.51 0.10 114.93 119.38 1nsh h MET 39 Ca -0.00 -0.51 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1nsh h MET 39 Cb 0.64 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 1nsh h MET 39 CO 0.03 1.13 0.00 -2.95 0.23 0.00 0.00 176.91 175.35 1nsh h ASN 40 N 0.40 0.00 0.00 1.39 7.08 -1.63 0.43 115.58 123.26 1nsh h ASN 40 Ca -0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 1nsh h ASN 40 Cb 1.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 1nsh h ASN 40 CO 0.12 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.82 1nsh n THR 41 N -3.00 0.00 0.07 6.14 -2.24 -1.11 -4.34 114.28 109.80 1nsh n THR 41 Ca 0.02 0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.89 1nsh n THR 41 Cb 0.38 -1.02 0.22 0.00 -2.10 0.00 0.00 70.33 67.82 1nsh n THR 41 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1nsh h GLU 42 N 0.00 0.32 -1.00 -0.78 4.39 -1.12 -3.24 114.58 113.14 1nsh h GLU 42 Ca 0.00 -0.14 -0.54 0.00 0.34 0.00 0.00 59.36 59.02 1nsh h GLU 42 Cb 0.00 -0.01 -0.42 0.00 -0.10 0.00 0.00 28.75 28.22 1nsh h GLU 42 CO 0.00 0.64 -0.82 1.28 -1.16 0.00 0.00 179.01 178.95 1nsh n LEU 43 N -4.06 4.52 0.18 1.33 4.77 -0.01 -4.75 117.00 118.99 1nsh n LEU 43 Ca -0.01 -4.76 0.06 0.00 -0.03 0.00 0.00 56.01 51.26 1nsh n LEU 43 Cb 0.46 -0.30 0.27 0.00 -2.33 0.00 0.00 43.42 41.51 1nsh n LEU 43 CO 0.42 2.07 0.65 0.00 -1.33 0.00 0.00 177.39 179.19 1nsh h ALA 44 N 2.37 0.89 0.00 -1.18 0.00 -0.16 -2.92 119.26 118.27 1nsh h ALA 44 Ca 0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nsh h ALA 44 Cb 1.30 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nsh h ALA 44 CO 0.75 0.46 -0.05 0.00 0.00 0.00 0.00 179.25 180.41 1nsh h ALA 45 N 1.63 1.24 0.00 0.00 0.00 -1.85 0.94 119.26 121.21 1nsh h ALA 45 Ca -0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 1nsh h ALA 45 Cb 1.02 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1nsh h ALA 45 CO 0.05 0.06 -1.97 1.19 0.00 0.00 0.00 179.25 178.58 1nsh n PHE 46 N -3.49 0.45 -2.31 0.00 3.72 -1.12 -4.43 117.46 110.28 1nsh n PHE 46 Ca -0.02 0.16 -0.19 0.00 -0.05 0.00 0.00 57.45 57.35 1nsh n PHE 46 Cb 0.17 -1.01 0.02 0.00 -0.94 0.00 0.00 39.48 37.72 1nsh n PHE 46 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1nsh n THR 47 N -2.79 2.15 0.00 4.37 5.66 -0.84 -4.69 114.28 118.14 1nsh n THR 47 Ca -0.21 -4.02 0.00 0.00 -3.05 0.00 0.00 64.05 56.77 1nsh n THR 47 Cb 1.00 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 1nsh n THR 47 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1nsh n LYS 48 N -0.60 0.00 -0.17 1.09 5.02 0.32 -4.43 118.16 119.39 1nsh n LYS 48 Ca 0.33 0.29 0.06 0.00 -2.02 0.00 0.00 58.31 56.97 1nsh n LYS 48 Cb 0.87 -0.77 0.16 0.00 -0.02 0.00 0.00 35.03 35.27 1nsh n LYS 48 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1nsh n ASN 49 N -1.93 1.81 -3.52 4.39 4.13 -1.26 -4.90 115.26 113.98 1nsh n ASN 49 Ca 0.00 -1.99 -0.25 0.00 1.68 0.00 0.00 54.58 54.02 1nsh n ASN 49 Cb 0.00 -0.22 0.05 0.00 -1.54 0.00 0.00 39.78 38.06 1nsh n ASN 49 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1nsh n GLN 50 N 0.49 -6.16 -0.28 3.52 0.00 -1.26 -4.86 117.38 108.83 1nsh n GLN 50 Ca 0.12 0.76 0.09 0.00 -0.00 0.00 0.00 57.00 57.97 1nsh n GLN 50 Cb 0.29 -5.69 0.33 0.00 0.00 0.00 0.00 30.24 25.17 1nsh n GLN 50 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1nsh h LYS 51 N -2.06 0.77 -3.62 3.69 3.64 -1.91 -3.35 116.57 113.73 1nsh h LYS 51 Ca -0.55 -0.05 -0.58 0.00 -1.27 0.00 0.00 60.65 58.21 1nsh h LYS 51 Cb 1.36 -0.17 -0.40 0.00 -0.41 0.00 0.00 32.23 32.61 1nsh h LYS 51 CO 0.59 0.51 -0.76 -0.51 -2.27 0.00 0.00 179.45 177.01 1nsh s ASP 52 N -5.86 3.89 0.00 4.20 1.11 -1.26 -4.98 116.67 113.76 1nsh s ASP 52 Ca -0.10 -1.51 0.16 0.00 0.18 0.00 0.00 52.55 51.28 1nsh s ASP 52 Cb 0.21 -0.86 0.96 0.00 1.07 0.00 0.00 42.92 44.30 1nsh s ASP 52 CO 0.79 -0.39 1.40 -2.65 1.18 0.00 0.00 175.17 175.50 1nsh n PRO 53 N 4.86 0.47 -0.08 8.23 -0.02 -1.26 -2.44 135.00 144.77 1nsh n PRO 53 Ca -0.03 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.58 1nsh n PRO 53 Cb 0.43 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.55 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 0.04 1.27 0.05 -1.23 0.00 -1.26 -3.86 105.19 100.19 1nsh n GLY 54 Ca 0.12 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 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 4.55 0.00 0.03 1.61 2.07 -1.72 -3.30 116.25 119.50 1nsh h VAL 55 Ca 0.00 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1nsh h VAL 55 Cb 0.98 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1nsh h VAL 55 CO 0.00 0.00 -0.01 0.25 0.02 0.00 0.00 177.57 177.83 1nsh h LEU 56 N -0.81 -0.04 -1.63 2.57 5.85 -1.80 -3.25 115.31 116.20 1nsh h LEU 56 Ca 0.00 -0.66 0.12 0.00 0.84 0.00 0.00 57.88 58.18 1nsh h LEU 56 Cb 0.19 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1nsh h LEU 56 CO 0.00 0.68 0.44 -0.78 -0.34 0.00 0.00 178.44 178.44 1nsh h ASP 57 N -0.80 0.37 -0.72 1.25 3.58 -1.82 -1.48 116.42 116.81 1nsh h ASP 57 Ca -0.00 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.40 1nsh h ASP 57 Cb 0.69 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1nsh h ASP 57 CO 0.01 0.21 0.20 -0.09 -2.88 0.00 0.00 179.24 176.69 1nsh h ARG 58 N 0.40 1.13 0.39 0.28 1.12 -1.64 0.93 114.38 117.00 1nsh h ARG 58 Ca 0.31 -0.26 -0.02 0.00 -1.11 0.00 0.00 59.98 58.90 1nsh h ARG 58 Cb 0.65 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1nsh h ARG 58 CO -0.09 0.98 -0.19 0.00 -3.11 0.00 0.00 179.97 177.56 1nsh h MET 59 N 1.07 -0.51 0.00 0.20 -0.00 -1.30 0.87 114.93 115.26 1nsh h MET 59 Ca 0.23 0.03 -0.09 0.00 -0.00 0.00 0.00 59.70 59.88 1nsh h MET 59 Cb 0.34 0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 32.04 1nsh h MET 59 CO -0.00 -0.29 -0.42 0.52 -0.00 0.00 0.00 176.91 176.72 1nsh h MET 60 N -0.61 0.00 0.07 -0.10 2.86 -1.51 0.43 114.93 116.07 1nsh h MET 60 Ca -0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1nsh h MET 60 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1nsh h MET 60 CO 0.09 0.42 -0.04 0.87 1.06 0.00 0.00 176.91 179.31 1nsh h LYS 61 N 0.00 -0.10 -0.01 1.72 1.79 -0.64 -3.31 116.57 116.03 1nsh h LYS 61 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1nsh h LYS 61 Cb 0.76 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1nsh h LYS 61 CO 0.05 0.14 0.00 1.63 -1.08 0.00 0.00 179.45 180.20 1nsh n LYS 62 N -4.82 1.04 -0.46 3.15 4.01 0.30 -4.14 118.16 117.25 1nsh n LYS 62 Ca -0.03 -0.07 0.40 0.00 -0.51 0.00 0.00 58.31 58.10 1nsh n LYS 62 Cb 0.14 -1.20 0.74 0.00 -0.51 0.00 0.00 35.03 34.19 1nsh n LYS 62 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 1nsh h LEU 63 N 0.12 0.08 -3.34 -0.35 -0.00 -0.23 -3.46 115.31 108.13 1nsh h LEU 63 Ca 0.00 0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 57.86 1nsh h LEU 63 Cb 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1nsh h LEU 63 CO 0.00 -0.02 -1.03 -0.67 -0.00 0.00 0.00 178.44 176.72 1nsh n ASP 64 N -4.23 -6.49 -3.57 0.17 2.03 -1.26 -4.98 116.55 98.23 1nsh n ASP 64 Ca 0.33 0.37 -0.01 0.00 0.52 0.00 0.00 54.79 56.00 1nsh n ASP 64 Cb 1.48 -1.75 -0.05 0.00 -0.72 0.00 0.00 41.12 40.08 1nsh n ASP 64 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1nsh s LEU 65 N -1.22 -0.86 0.00 -2.67 0.05 -1.26 -5.03 118.68 107.68 1nsh s LEU 65 Ca 0.05 1.23 0.10 0.00 0.05 0.00 0.00 54.13 55.56 1nsh s LEU 65 Cb -0.01 2.05 0.16 0.00 -2.05 0.00 0.00 46.19 46.35 1nsh s LEU 65 CO 0.15 -0.18 1.04 -3.20 -0.55 0.00 0.00 176.35 173.61 1nsh n ASN 66 N 4.88 0.34 -4.46 1.48 4.05 -1.26 -5.04 115.26 115.26 1nsh n ASN 66 Ca -0.13 -1.95 -0.27 0.00 0.45 0.00 0.00 54.58 52.68 1nsh n ASN 66 Cb 0.53 -0.21 -0.11 0.00 1.23 0.00 0.00 39.78 41.22 1nsh n ASN 66 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1nsh s SER 67 N -1.33 3.64 0.00 1.20 0.15 -1.26 -4.80 113.70 111.30 1nsh s SER 67 Ca 0.13 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1nsh s SER 67 Cb 0.15 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1nsh s SER 67 CO -0.06 0.13 0.00 -0.67 1.20 0.00 0.00 173.24 173.84 1nsh n ASP 68 N 0.36 0.00 0.00 5.45 2.03 -1.26 -3.89 116.55 119.24 1nsh n ASP 68 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1nsh n ASP 68 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1nsh n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nsh n GLY 69 N 0.00 1.86 2.26 0.27 0.00 -1.26 -5.13 105.19 103.20 1nsh n GLY 69 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.07 0.52 0.00 1.61 1.13 -1.25 -5.10 117.38 114.21 1nsh n GLN 70 Ca 0.00 -1.77 0.00 0.00 -1.94 0.00 0.00 57.00 53.29 1nsh n GLN 70 Cb 0.00 1.78 0.00 0.00 0.11 0.00 0.00 30.24 32.13 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 -1.20 -4.87 117.00 120.00 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 0.39 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 1nsh n LEU 71 CO 0.19 0.00 0.00 -0.90 -1.51 0.00 0.00 177.39 175.17 1nsh n ASP 72 N 0.00 0.00 0.40 -1.43 5.75 -1.26 -4.53 116.55 115.48 1nsh n ASP 72 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 1nsh n ASP 72 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 1nsh n ASP 72 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 1nsh h PHE 73 N 0.00 -0.94 0.00 2.11 -0.00 -1.98 -3.13 116.94 112.99 1nsh h PHE 73 Ca 0.00 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.97 57.86 1nsh h PHE 73 Cb 0.00 0.31 -0.01 0.00 -0.00 0.00 0.00 35.95 36.25 1nsh h PHE 73 CO 0.00 -0.57 -0.40 0.37 -0.00 0.00 0.00 178.31 177.71 1nsh h GLN 74 N -1.11 0.00 -1.12 6.09 5.75 -1.98 -3.11 115.11 119.63 1nsh h GLN 74 Ca -0.10 0.00 0.35 0.00 -0.15 0.00 0.00 58.65 58.74 1nsh h GLN 74 Cb 0.80 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.22 1nsh h GLN 74 CO 0.17 0.40 0.70 0.93 -2.65 0.00 0.00 178.83 178.37 1nsh h GLU 75 N 0.00 0.25 0.00 1.69 4.39 -1.91 1.67 114.58 120.67 1nsh h GLU 75 Ca -0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1nsh h GLU 75 Cb 1.04 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1nsh h GLU 75 CO 0.05 0.16 -0.01 0.35 -1.16 0.00 0.00 179.01 178.40 1nsh h PHE 76 N 0.26 0.00 -0.76 4.33 3.04 -1.58 0.23 116.94 122.46 1nsh h PHE 76 Ca 0.73 0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.84 1nsh h PHE 76 Cb 1.95 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 40.41 1nsh h PHE 76 CO -0.01 0.56 0.51 -0.07 -2.02 0.00 0.00 178.31 177.28 1nsh h LEU 77 N -1.00 0.35 0.00 0.59 3.38 -1.12 1.61 115.31 119.12 1nsh h LEU 77 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1nsh h LEU 77 Cb 0.56 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1nsh h LEU 77 CO -0.00 0.18 -0.00 -1.13 0.09 0.00 0.00 178.44 177.57 1nsh h ASN 78 N 0.37 -0.00 0.59 -0.43 -1.24 0.23 0.85 115.58 115.96 1nsh h ASN 78 Ca 0.38 -0.84 -0.02 0.00 0.71 0.00 0.00 56.30 56.53 1nsh h ASN 78 Cb 0.92 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.97 1nsh h ASN 78 CO -0.11 0.84 -0.38 -0.07 -1.29 0.00 0.00 177.43 176.41 1nsh h LEU 79 N -0.84 -0.97 -0.12 0.34 4.07 0.97 0.44 115.31 119.20 1nsh h LEU 79 Ca -0.00 0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.95 1nsh h LEU 79 Cb 0.84 0.29 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 1nsh h LEU 79 CO 0.00 -0.59 -0.21 -0.29 -1.08 0.00 0.00 178.44 176.27 1nsh h ILE 80 N -0.93 1.38 -0.35 1.22 -0.00 0.21 -3.00 117.51 116.04 1nsh h ILE 80 Ca -0.07 -1.46 0.07 0.00 -0.00 0.00 0.00 64.86 63.39 1nsh h ILE 80 Cb 0.76 2.04 -0.07 0.00 -0.00 0.00 0.00 36.82 39.55 1nsh h ILE 80 CO 0.06 0.43 -0.09 1.23 -0.00 0.00 0.00 178.15 179.77 1nsh h GLY 81 N -0.06 0.24 0.25 8.18 0.00 0.76 0.18 103.07 112.62 1nsh h GLY 81 Ca 0.01 0.12 0.21 0.00 0.00 0.00 0.00 47.33 47.67 1nsh h GLY 81 CO 0.05 -0.14 0.61 -1.33 0.00 0.00 0.00 176.54 175.73 1nsh h GLY 82 N -0.01 0.91 0.96 4.60 0.00 -0.12 0.12 103.07 109.53 1nsh h GLY 82 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1nsh h GLY 82 CO -0.36 -0.02 0.19 1.41 0.00 0.00 0.00 176.54 177.76 1nsh h LEU 83 N 0.41 0.46 -1.82 3.11 3.38 -0.51 -0.83 115.31 119.50 1nsh h LEU 83 Ca 0.49 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.49 1nsh h LEU 83 Cb 1.21 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1nsh h LEU 83 CO -0.19 0.42 0.39 0.00 0.09 0.00 0.00 178.44 179.15 1nsh h ALA 84 N 1.05 2.27 0.00 1.53 0.00 -0.21 0.94 119.26 124.84 1nsh h ALA 84 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1nsh h ALA 84 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nsh h ALA 84 CO -0.02 -0.41 -0.47 0.28 0.00 0.00 0.00 179.25 178.63 1nsh h VAL 85 N 0.19 0.00 -0.18 0.00 2.07 -0.96 0.18 116.25 117.55 1nsh h VAL 85 Ca 0.27 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1nsh h VAL 85 Cb 0.80 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1nsh h VAL 85 CO -0.05 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.54 1nsh n ALA 86 N -1.98 2.28 0.00 1.67 0.00 0.70 -2.18 120.51 121.00 1nsh n ALA 86 Ca 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.98 1nsh n ALA 86 Cb 0.49 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.47 2.89 -3.93 0.00 -0.00 0.63 -4.97 115.22 108.37 1nsh n HIS 88 Ca 0.00 -3.13 0.00 0.00 -0.00 0.00 0.00 57.72 54.59 1nsh n HIS 88 Cb 0.00 -0.98 0.00 0.00 -0.00 0.00 0.00 29.99 29.01 1nsh n HIS 88 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1nsh n GLU 89 N 0.77 0.00 -0.96 1.57 4.71 -1.13 -4.50 120.64 121.11 1nsh n GLU 89 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.46 1nsh n GLU 89 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.77 1nsh n GLU 89 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1nsh n SER 90 N -3.21 -1.98 0.00 1.62 7.64 -1.26 -3.67 113.62 112.76 1nsh n SER 90 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1nsh n SER 90 Cb 0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 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 -2.44 0.00 0.25 1.43 3.72 -1.24 -4.88 117.46 114.29 1nsh n PHE 91 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1nsh n PHE 91 Cb 0.05 0.00 0.77 0.00 -0.94 0.00 0.00 39.48 39.36 1nsh n PHE 91 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1nsh h VAL 92 N 0.00 0.74 0.33 -4.37 3.04 -1.59 -0.62 116.25 113.78 1nsh h VAL 92 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1nsh h VAL 92 Cb 0.00 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 1nsh h VAL 92 CO 0.00 0.00 -0.16 0.50 -1.01 0.00 0.00 177.57 176.90 1nsh h LYS 93 N 0.00 -0.43 0.53 4.17 3.64 -1.88 -3.36 116.57 119.24 1nsh h LYS 93 Ca 0.03 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1nsh h LYS 93 Cb 0.14 0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1nsh h LYS 93 CO -0.00 -0.29 -0.26 0.00 -2.27 0.00 0.00 179.45 176.64 1nsh h ALA 94 N -1.78 -0.83 -6.02 5.00 0.00 -1.95 -3.48 119.26 110.19 1nsh h ALA 94 Ca -0.05 -0.16 -0.40 0.00 0.00 0.00 0.00 54.91 54.31 1nsh h ALA 94 Cb 0.34 0.28 0.07 0.00 0.00 0.00 0.00 17.79 18.48 1nsh h ALA 94 CO 0.07 -0.78 -0.83 0.00 0.00 0.00 0.00 179.25 177.71 1nsh n ALA 95 N -2.58 -2.08 -0.01 0.00 0.00 -0.25 -4.91 120.51 110.68 1nsh n ALA 95 Ca -0.09 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 1nsh n ALA 95 Cb 0.28 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.37 1nsh n ALA 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1nsh h PRO 96 N -1.83 0.00 0.00 0.00 0.11 -1.92 -3.31 132.00 125.05 1nsh h PRO 96 Ca -0.61 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.35 1nsh h PRO 96 Cb 1.35 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.44 1nsh h PRO 96 CO 0.55 0.00 -0.87 -1.00 -0.21 0.00 0.00 178.00 176.47 1nsh h PRO 97 N 0.00 0.00 -6.31 1.05 0.13 -1.98 -3.50 132.00 121.39 1nsh h PRO 97 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1nsh h PRO 97 Cb 0.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.22 1nsh h PRO 97 CO -0.12 0.84 -0.77 0.00 -0.23 0.00 0.00 178.00 177.71 1nsh n GLN 98 N -4.51 -0.51 -3.75 0.86 10.64 -1.25 -4.93 117.38 113.93 1nsh n GLN 98 Ca -0.23 0.88 -0.37 0.00 -1.83 0.00 0.00 57.00 55.45 1nsh n GLN 98 Cb 0.56 -0.96 -0.12 0.00 -0.86 0.00 0.00 30.24 28.86 1nsh n GLN 98 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1nsh s LYS 99 N -0.77 3.19 -0.10 2.61 1.02 -1.26 -4.98 119.74 119.45 1nsh s LYS 99 Ca -0.00 -0.79 -0.08 0.00 0.02 0.00 0.00 55.97 55.12 1nsh s LYS 99 Cb 0.00 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1nsh s LYS 99 CO 0.00 -0.40 -0.15 0.54 -0.92 0.00 0.00 175.35 174.42 1nsh n ARG 100 N 4.89 0.31 0.00 1.68 1.74 -1.26 -5.06 116.66 118.96 1nsh n ARG 100 Ca -0.15 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1nsh n ARG 100 Cb 0.49 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 1nsh n ARG 100 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45