#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 0.55 0.00 1.43 3.00 -1.26 -4.96 116.66 115.43 1nsh n ARG 2 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 57.85 58.22 1nsh n ARG 2 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 30.88 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 -4.39 0.00 -3.85 5.56 -0.02 -1.26 -5.06 135.00 125.99 1nsh n PRO 3 Ca -0.35 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.01 1nsh n PRO 3 Cb 0.68 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 34.05 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 0.04 0.29 3.45 -1.32 -1.26 -5.01 115.64 111.83 1nsh s THR 4 Ca 0.00 -0.37 0.02 0.00 -1.21 0.00 0.00 61.69 60.14 1nsh s THR 4 Cb 0.00 -0.33 0.32 0.00 -1.51 0.00 0.00 72.50 70.98 1nsh s THR 4 CO 0.00 -0.20 1.64 -0.08 -2.21 0.00 0.00 174.62 173.76 1nsh h GLU 5 N 5.05 0.18 -0.65 7.08 4.81 -1.99 0.71 114.58 129.77 1nsh h GLU 5 Ca -0.28 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.86 1nsh h GLU 5 Cb 1.20 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1nsh h GLU 5 CO 0.41 0.12 0.10 1.15 -0.73 0.00 0.00 179.01 180.06 1nsh h THR 6 N 0.18 1.26 -0.96 0.32 2.02 -1.99 -2.42 112.91 111.32 1nsh h THR 6 Ca 0.56 -1.03 0.22 0.00 0.77 0.00 0.00 66.41 66.93 1nsh h THR 6 Cb 1.15 0.67 -0.08 0.00 -1.74 0.00 0.00 68.15 68.15 1nsh h THR 6 CO -0.68 0.39 0.63 -0.33 0.37 0.00 0.00 175.52 175.89 1nsh h GLU 7 N 0.99 0.44 0.00 6.66 4.39 0.04 0.69 114.58 127.79 1nsh h GLU 7 Ca 0.20 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.73 1nsh h GLU 7 Cb 0.44 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1nsh h GLU 7 CO 0.01 0.29 -0.68 -0.09 -1.16 0.00 0.00 179.01 177.39 1nsh h ARG 8 N 0.46 0.00 -0.40 2.33 2.43 -1.02 -3.09 114.38 115.08 1nsh h ARG 8 Ca 0.52 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.59 1nsh h ARG 8 Cb 1.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1nsh h ARG 8 CO -0.24 0.68 -0.16 0.00 -1.51 0.00 0.00 179.97 178.74 1nsh h ILE 10 N 0.63 0.81 -0.61 0.00 5.03 -1.31 -3.03 117.51 119.03 1nsh h ILE 10 Ca 0.09 -1.05 0.18 0.00 -0.12 0.00 0.00 64.86 63.96 1nsh h ILE 10 Cb 0.71 1.34 -0.02 0.00 -3.03 0.00 0.00 36.82 35.82 1nsh h ILE 10 CO 0.05 0.20 0.55 -0.08 -0.68 0.00 0.00 178.15 178.20 1nsh h GLU 11 N -0.85 0.00 0.07 2.37 4.81 -1.63 -1.63 114.58 117.72 1nsh h GLU 11 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 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 0.04 0.00 -0.04 0.77 -0.73 0.00 0.00 179.01 179.06 1nsh h SER 12 N 0.00 -0.08 -0.16 1.04 0.02 -1.53 -2.94 113.55 109.89 1nsh h SER 12 Ca 0.29 -0.35 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1nsh h SER 12 Cb 1.39 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 1nsh h SER 12 CO -0.00 0.55 0.14 -0.07 -1.14 0.00 0.00 176.83 176.31 1nsh h LEU 13 N -0.98 0.00 -0.28 5.07 -0.00 -1.29 0.24 115.31 118.06 1nsh h LEU 13 Ca -0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.68 1nsh h LEU 13 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1nsh h LEU 13 CO 0.02 0.00 -0.60 0.40 -0.00 0.00 0.00 178.44 178.25 1nsh h ILE 14 N 0.00 1.28 0.08 1.22 2.04 -1.41 -3.20 117.51 117.52 1nsh h ILE 14 Ca 0.08 -1.80 -0.28 0.00 1.00 0.00 0.00 64.86 63.86 1nsh h ILE 14 Cb 0.35 1.72 0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1nsh h ILE 14 CO -0.00 0.58 -1.16 0.00 0.00 0.00 0.00 178.15 177.57 1nsh h ALA 15 N 0.68 0.11 -0.84 1.87 0.00 -0.85 -1.80 119.26 118.43 1nsh h ALA 15 Ca -0.00 -0.77 0.20 0.00 0.00 0.00 0.00 54.91 54.34 1nsh h ALA 15 Cb 1.21 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1nsh h ALA 15 CO 0.13 0.76 0.56 -0.39 0.00 0.00 0.00 179.25 180.31 1nsh h VAL 16 N 0.25 0.69 0.00 0.00 -1.51 -0.68 0.92 116.25 115.92 1nsh h VAL 16 Ca -0.15 -0.11 -0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1nsh h VAL 16 Cb 1.83 0.35 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1nsh h VAL 16 CO 0.21 0.06 -0.03 0.15 -1.23 0.00 0.00 177.57 176.73 1nsh h PHE 17 N 0.31 0.00 0.00 5.19 3.57 -1.53 -3.34 116.94 121.14 1nsh h PHE 17 Ca 0.42 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.84 1nsh h PHE 17 Cb 1.17 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1nsh h PHE 17 CO -0.00 0.16 -0.39 -0.56 -2.23 0.00 0.00 178.31 175.28 1nsh h GLN 18 N -1.00 0.00 -0.16 1.11 -0.00 -1.01 0.98 115.11 115.04 1nsh h GLN 18 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.68 1nsh h GLN 18 Cb 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.62 1nsh h GLN 18 CO -0.00 0.39 -0.06 -0.22 -0.00 0.00 0.00 178.83 178.94 1nsh h LYS 19 N 0.00 -0.03 0.00 0.06 1.63 0.69 0.92 116.57 119.83 1nsh h LYS 19 Ca -0.00 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.63 1nsh h LYS 19 Cb 0.83 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.44 1nsh h LYS 19 CO 0.05 -0.02 -0.82 1.88 -3.45 0.00 0.00 179.45 177.09 1nsh h TYR 20 N -0.03 0.00 -0.00 1.91 0.05 -1.67 -3.13 116.97 114.09 1nsh h TYR 20 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1nsh h TYR 20 Cb 0.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.89 1nsh h TYR 20 CO -0.20 0.82 0.00 0.00 -1.05 0.00 0.00 178.16 177.73 1nsh n ALA 21 N -2.32 2.64 0.00 3.88 0.00 0.33 -4.86 120.51 120.19 1nsh n ALA 21 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1nsh n ALA 21 Cb 0.86 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 0.90 0.38 0.04 0.00 0.00 0.31 -4.46 105.19 102.35 1nsh n GLY 22 Ca 0.19 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 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 0.93 2.11 -3.65 1.61 4.81 -1.25 -4.53 118.16 118.19 1nsh n LYS 23 Ca 0.00 0.01 -0.37 0.00 -0.87 0.00 0.00 58.31 57.08 1nsh n LYS 23 Cb 0.00 -1.22 -0.09 0.00 0.02 0.00 0.00 35.03 33.74 1nsh n LYS 23 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1nsh s ASP 24 N -4.26 6.12 0.00 3.14 1.11 -1.26 -4.28 116.67 117.23 1nsh s ASP 24 Ca -0.06 0.12 0.00 0.00 0.18 0.00 0.00 52.55 52.78 1nsh s ASP 24 Cb 0.03 -2.11 0.00 0.00 1.07 0.00 0.00 42.92 41.91 1nsh s ASP 24 CO 0.33 0.06 0.00 0.61 1.18 0.00 0.00 175.17 177.35 1nsh n GLY 25 N 4.30 2.61 2.21 0.21 0.00 -1.26 -4.88 105.19 108.38 1nsh n GLY 25 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1nsh n GLY 25 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nsh n HIS 26 N 0.00 -4.66 -0.04 1.61 8.25 -1.26 -4.99 115.22 114.13 1nsh n HIS 26 Ca 0.00 2.78 -0.03 0.00 -0.26 0.00 0.00 57.72 60.20 1nsh n HIS 26 Cb 0.00 -3.73 -0.08 0.00 1.12 0.00 0.00 29.99 27.30 1nsh n HIS 26 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1nsh n SER 27 N 1.77 2.43 0.00 0.41 7.64 -1.26 -5.00 113.62 119.60 1nsh n SER 27 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1nsh n SER 27 Cb 0.00 0.87 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1nsh n SER 27 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1nsh n VAL 28 N -2.31 0.00 -4.30 0.44 0.31 -1.26 -4.97 118.33 106.24 1nsh n VAL 28 Ca -0.15 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.98 1nsh n VAL 28 Cb 0.76 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.61 1nsh n VAL 28 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1nsh n THR 29 N -2.00 0.00 0.00 2.52 -2.24 -1.26 -4.28 114.28 107.02 1nsh n THR 29 Ca 0.00 -2.45 0.00 0.00 -2.27 0.00 0.00 64.05 59.33 1nsh n THR 29 Cb 0.00 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 -3.54 3.22 0.00 -1.26 -4.50 117.00 110.92 1nsh n LEU 30 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.08 1nsh n LEU 30 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.97 1nsh n LEU 30 CO 0.31 0.00 0.80 -0.55 0.00 0.00 0.00 177.39 177.95 1nsh s SER 31 N 1.00 -0.32 0.40 1.96 0.15 -1.26 -3.81 113.70 111.81 1nsh s SER 31 Ca 0.00 0.49 0.17 0.00 0.70 0.00 0.00 55.95 57.31 1nsh s SER 31 Cb 0.00 1.22 1.07 0.00 -1.71 0.00 0.00 66.02 66.60 1nsh s SER 31 CO 0.00 -0.07 1.79 0.07 1.20 0.00 0.00 173.24 176.23 1nsh h LYS 32 N 6.19 0.41 -0.08 5.44 2.10 -1.99 0.00 116.57 128.65 1nsh h LYS 32 Ca -0.23 -0.02 -0.16 0.00 -2.00 0.00 0.00 60.65 58.23 1nsh h LYS 32 Cb 1.16 -0.09 0.01 0.00 -0.90 0.00 0.00 32.23 32.40 1nsh h LYS 32 CO 0.17 0.27 -0.59 1.15 -2.00 0.00 0.00 179.45 178.45 1nsh h THR 33 N 0.43 1.36 -0.37 0.07 2.02 -2.00 -3.08 112.91 111.33 1nsh h THR 33 Ca 0.57 -1.92 0.11 0.00 0.77 0.00 0.00 66.41 65.93 1nsh h THR 33 Cb 1.39 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 70.05 1nsh h THR 33 CO -0.28 0.58 0.29 -0.33 0.37 0.00 0.00 175.52 176.15 1nsh h GLU 34 N 0.14 0.00 0.00 6.66 5.08 -1.41 0.47 114.58 125.52 1nsh h GLU 34 Ca -0.05 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1nsh h GLU 34 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1nsh h GLU 34 CO 0.12 0.00 -0.61 0.35 -1.00 0.00 0.00 179.01 177.87 1nsh h PHE 35 N 0.00 0.00 0.86 4.33 3.04 -1.31 -2.20 116.94 121.65 1nsh h PHE 35 Ca 0.18 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 1nsh h PHE 35 Cb 0.75 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.26 1nsh h PHE 35 CO 0.00 0.61 -0.46 -0.07 -2.02 0.00 0.00 178.31 176.37 1nsh h LEU 36 N 0.00 -1.12 0.02 0.59 -0.00 0.02 0.29 115.31 115.12 1nsh h LEU 36 Ca -0.01 0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1nsh h LEU 36 Cb 1.12 0.31 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 1nsh h LEU 36 CO 0.08 -0.74 -0.01 -1.28 -0.00 0.00 0.00 178.44 176.48 1nsh h SER 37 N -1.21 -0.03 -0.12 -0.43 0.87 -1.59 -1.93 113.55 109.11 1nsh h SER 37 Ca -0.12 -0.38 0.04 0.00 -1.23 0.00 0.00 61.79 60.10 1nsh h SER 37 Cb 0.95 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1nsh h SER 37 CO 0.16 0.37 0.13 -0.26 -0.53 0.00 0.00 176.83 176.70 1nsh h PHE 38 N -0.44 0.00 0.03 2.24 0.04 -1.45 -1.90 116.94 115.47 1nsh h PHE 38 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1nsh h PHE 38 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1nsh h PHE 38 CO 0.06 0.00 -0.02 1.98 -0.60 0.00 0.00 178.31 179.74 1nsh h MET 39 N 0.00 -0.04 0.00 1.51 4.05 -0.78 -2.50 114.93 117.16 1nsh h MET 39 Ca 0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1nsh h MET 39 Cb 0.32 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1nsh h MET 39 CO -0.00 0.55 0.11 -0.91 0.23 0.00 0.00 176.91 176.88 1nsh h ASN 40 N -0.95 0.00 0.15 1.39 2.35 -0.89 1.39 115.58 119.02 1nsh h ASN 40 Ca -0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1nsh h ASN 40 Cb 0.61 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.92 1nsh h ASN 40 CO 0.01 0.00 -2.18 1.07 -1.65 0.00 0.00 177.43 174.68 1nsh n THR 41 N -2.97 1.46 0.00 2.81 5.66 -0.76 -4.41 114.28 116.08 1nsh n THR 41 Ca -0.03 -0.83 0.00 0.00 -3.05 0.00 0.00 64.05 60.14 1nsh n THR 41 Cb 0.17 -0.67 0.00 0.00 -1.55 0.00 0.00 70.33 68.28 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 -2.86 0.00 -1.28 1.09 1.02 -0.80 -4.77 120.64 113.03 1nsh n GLU 42 Ca -0.28 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.58 1nsh n GLU 42 Cb 1.12 -0.74 0.13 0.00 -0.02 0.00 0.00 31.44 31.93 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 -2.34 6.91 0.07 -4.62 4.77 0.39 -4.43 117.00 117.74 1nsh n LEU 43 Ca 0.00 -3.98 -0.05 0.00 -0.03 0.00 0.00 56.01 51.95 1nsh n LEU 43 Cb 0.35 -0.86 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 1nsh n LEU 43 CO 0.00 1.30 0.14 0.00 -1.33 0.00 0.00 177.39 177.50 1nsh h ALA 44 N 1.50 0.46 -0.36 -1.18 0.00 0.98 -3.25 119.26 117.41 1nsh h ALA 44 Ca 0.58 -0.86 0.10 0.00 0.00 0.00 0.00 54.91 54.74 1nsh h ALA 44 Cb 1.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1nsh h ALA 44 CO 1.26 1.14 0.40 0.00 0.00 0.00 0.00 179.25 182.05 1nsh h ALA 45 N 1.12 2.04 -0.56 0.00 0.00 -1.84 1.15 119.26 121.16 1nsh h ALA 45 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nsh h ALA 45 Cb 1.70 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1nsh h ALA 45 CO 0.11 -0.59 0.00 1.19 0.00 0.00 0.00 179.25 179.96 1nsh n PHE 46 N -3.70 1.58 -2.59 0.00 3.01 -1.23 -4.52 117.46 110.01 1nsh n PHE 46 Ca 0.06 -0.68 -0.02 0.00 1.01 0.00 0.00 57.45 57.82 1nsh n PHE 46 Cb 0.56 -0.34 -0.01 0.00 -0.01 0.00 0.00 39.48 39.68 1nsh n PHE 46 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1nsh n THR 47 N 0.70 0.00 0.00 4.37 5.66 0.25 -4.72 114.28 120.54 1nsh n THR 47 Ca 0.25 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1nsh n THR 47 Cb 0.98 0.54 0.00 0.00 -1.55 0.00 0.00 70.33 70.30 1nsh n THR 47 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1nsh n LYS 48 N -0.34 0.99 -1.08 1.09 -0.00 0.33 -4.85 118.16 114.30 1nsh n LYS 48 Ca -0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.10 1nsh n LYS 48 Cb 0.59 -1.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.58 1nsh n LYS 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1nsh n ASN 49 N -2.37 -0.33 0.19 -5.58 2.85 -1.26 -4.91 115.26 103.84 1nsh n ASN 49 Ca 0.00 -1.92 0.08 0.00 -0.11 0.00 0.00 54.58 52.63 1nsh n ASN 49 Cb 0.50 0.09 0.16 0.00 1.24 0.00 0.00 39.78 41.77 1nsh n ASN 49 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1nsh h GLN 50 N 0.27 0.00 -2.43 1.20 1.08 -1.90 -3.47 115.11 109.86 1nsh h GLN 50 Ca -0.41 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.48 1nsh h GLN 50 Cb 1.51 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.94 1nsh h GLN 50 CO -0.15 0.22 -0.41 1.17 -0.95 0.00 0.00 178.83 178.72 1nsh n LYS 51 N -3.17 -1.68 -3.62 1.46 4.81 -1.26 -4.97 118.16 109.73 1nsh n LYS 51 Ca 0.03 0.74 -0.28 0.00 -0.87 0.00 0.00 58.31 57.92 1nsh n LYS 51 Cb 0.60 -5.10 -0.11 0.00 0.02 0.00 0.00 35.03 30.43 1nsh n LYS 51 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1nsh s ASP 52 N -2.39 3.03 0.41 3.14 -1.08 -1.26 -4.95 116.67 113.56 1nsh s ASP 52 Ca 0.04 -3.12 0.28 0.00 -0.52 0.00 0.00 52.55 49.23 1nsh s ASP 52 Cb -0.02 -0.92 1.48 0.00 -1.46 0.00 0.00 42.92 42.00 1nsh s ASP 52 CO 0.05 -0.18 1.86 -0.65 0.52 0.00 0.00 175.17 176.77 1nsh h PRO 53 N 5.93 0.00 0.00 4.34 0.11 -2.00 -1.79 132.00 138.58 1nsh h PRO 53 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1nsh h PRO 53 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1nsh h PRO 53 CO 0.49 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.69 1nsh n GLY 54 N -1.04 -1.34 0.06 -0.55 0.00 -1.26 -1.64 105.19 99.42 1nsh n GLY 54 Ca -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.07 0.07 1.61 2.07 -1.62 -3.14 116.25 115.32 1nsh h VAL 55 Ca 0.00 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1nsh h VAL 55 Cb 0.43 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1nsh h VAL 55 CO 0.00 0.02 -0.03 0.25 0.02 0.00 0.00 177.57 177.83 1nsh h LEU 56 N -1.00 -0.08 -2.18 2.57 5.85 -1.70 -2.77 115.31 116.00 1nsh h LEU 56 Ca -0.01 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.52 1nsh h LEU 56 Cb 0.26 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1nsh h LEU 56 CO -0.00 0.21 0.19 -0.78 -0.34 0.00 0.00 178.44 177.72 1nsh h ASP 57 N -0.37 0.00 -0.07 1.25 1.82 -1.53 -2.10 116.42 115.42 1nsh h ASP 57 Ca -0.01 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.64 1nsh h ASP 57 Cb 0.32 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 1nsh h ASP 57 CO 0.02 0.00 -0.02 -0.09 -1.61 0.00 0.00 179.24 177.53 1nsh h ARG 58 N 0.00 -0.01 0.11 0.28 2.43 -1.43 0.76 114.38 116.52 1nsh h ARG 58 Ca 0.10 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1nsh h ARG 58 Cb 0.48 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1nsh h ARG 58 CO -0.00 -0.00 -0.21 0.00 -1.51 0.00 0.00 179.97 178.25 1nsh h MET 59 N -0.01 -0.38 0.00 0.20 -0.00 -1.42 -0.02 114.93 113.31 1nsh h MET 59 Ca 0.03 0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.75 1nsh h MET 59 Cb 0.06 0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 31.74 1nsh h MET 59 CO -0.07 -0.25 -0.06 0.52 -0.00 0.00 0.00 176.91 177.04 1nsh h MET 60 N -0.39 0.00 0.07 -0.10 2.86 -1.52 0.43 114.93 116.28 1nsh h MET 60 Ca 0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1nsh h MET 60 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1nsh h MET 60 CO -0.12 0.06 -0.03 0.87 1.06 0.00 0.00 176.91 178.75 1nsh h LYS 61 N 0.00 -0.09 -0.03 1.72 1.79 0.05 -3.33 116.57 116.68 1nsh h LYS 61 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1nsh h LYS 61 Cb 0.26 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1nsh h LYS 61 CO 0.01 -0.06 0.00 1.17 -1.08 0.00 0.00 179.45 179.49 1nsh n LYS 62 N -4.38 1.10 0.08 3.15 0.00 -0.11 -4.11 118.16 113.89 1nsh n LYS 62 Ca -0.01 -0.15 0.21 0.00 0.00 0.00 0.00 58.31 58.36 1nsh n LYS 62 Cb 0.03 -1.22 0.68 0.00 0.00 0.00 0.00 35.03 34.53 1nsh n LYS 62 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1nsh h LEU 63 N 0.28 0.00 -2.68 3.14 -0.00 -0.25 -3.46 115.31 112.34 1nsh h LEU 63 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1nsh h LEU 63 Cb 0.06 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 40.78 1nsh h LEU 63 CO 0.00 0.00 -0.27 -0.67 -0.00 0.00 0.00 178.44 177.50 1nsh n ASP 64 N -3.49 -4.79 -4.41 0.17 -0.08 -1.26 -4.88 116.55 97.81 1nsh n ASP 64 Ca 0.09 -0.24 -0.24 0.00 -1.51 0.00 0.00 54.79 52.89 1nsh n ASP 64 Cb 0.76 -3.18 -0.11 0.00 2.34 0.00 0.00 41.12 40.93 1nsh n ASP 64 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1nsh s LEU 65 N -3.79 2.49 0.00 -2.67 2.01 -1.26 -5.05 118.68 110.41 1nsh s LEU 65 Ca 0.15 -0.92 0.00 0.00 0.01 0.00 0.00 54.13 53.36 1nsh s LEU 65 Cb -0.02 -1.02 0.00 0.00 0.01 0.00 0.00 46.19 45.16 1nsh s LEU 65 CO 0.40 0.03 0.00 0.59 1.01 0.00 0.00 176.35 178.39 1nsh n ASN 66 N -0.02 0.00 -3.64 2.29 3.02 -1.26 -5.15 115.26 110.49 1nsh n ASN 66 Ca -0.10 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.41 1nsh n ASN 66 Cb 0.58 0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 39.91 1nsh n ASN 66 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1nsh s SER 67 N -0.13 -0.61 -0.18 6.41 1.04 -1.26 -5.08 113.70 113.89 1nsh s SER 67 Ca 0.00 0.98 -0.12 0.00 0.48 0.00 0.00 55.95 57.29 1nsh s SER 67 Cb 0.00 1.23 0.05 0.00 0.10 0.00 0.00 66.02 67.40 1nsh s SER 67 CO 0.00 -0.16 0.25 -0.67 0.98 0.00 0.00 173.24 173.64 1nsh n ASP 68 N 3.74 -0.28 0.00 7.02 2.03 -1.26 -4.93 116.55 122.86 1nsh n ASP 68 Ca -0.18 1.31 0.00 0.00 0.52 0.00 0.00 54.79 56.44 1nsh n ASP 68 Cb 0.58 -5.16 0.00 0.00 -0.72 0.00 0.00 41.12 35.82 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 1.66 0.48 7.00 0.27 0.00 -1.26 -5.14 105.19 108.19 1nsh n GLY 69 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.00 0.00 1.61 1.13 -1.26 -4.77 117.38 114.09 1nsh n GLN 70 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1nsh n GLN 70 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 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 -1.25 -4.86 117.00 119.96 1nsh n LEU 71 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1nsh n LEU 71 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1nsh n LEU 71 CO 0.00 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.21 1nsh n ASP 72 N 0.00 0.00 0.06 -1.43 2.03 -1.26 -4.59 116.55 111.35 1nsh n ASP 72 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1nsh n ASP 72 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.22 0.00 -0.67 -0.00 -1.98 -3.34 116.94 110.72 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 0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 36.01 1nsh h PHE 73 CO 0.00 -0.14 -0.59 0.37 -0.00 0.00 0.00 178.31 177.95 1nsh h GLN 74 N -0.99 0.00 -1.30 6.09 -0.00 -1.97 -3.18 115.11 113.76 1nsh h GLN 74 Ca -0.02 0.00 0.38 0.00 -0.00 0.00 0.00 58.65 59.00 1nsh h GLN 74 Cb 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.60 1nsh h GLN 74 CO 0.04 0.55 0.91 0.93 0.00 0.00 0.00 178.83 181.26 1nsh h GLU 75 N 0.00 0.08 0.00 1.69 5.08 -1.90 2.53 114.58 122.05 1nsh h GLU 75 Ca -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nsh h GLU 75 Cb 1.44 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1nsh h GLU 75 CO 0.07 0.05 -0.03 0.35 -1.00 0.00 0.00 179.01 178.45 1nsh h PHE 76 N 0.08 0.00 -0.62 4.33 3.04 -1.67 0.00 116.94 122.11 1nsh h PHE 76 Ca 0.65 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.71 1nsh h PHE 76 Cb 2.40 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.87 1nsh h PHE 76 CO -0.00 0.57 0.42 -0.07 -2.02 0.00 0.00 178.31 177.21 1nsh h LEU 77 N -1.00 0.35 -0.11 0.59 3.38 -0.60 1.18 115.31 119.10 1nsh h LEU 77 Ca -0.01 0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1nsh h LEU 77 Cb 0.58 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1nsh h LEU 77 CO -0.00 0.20 -0.98 -1.13 0.09 0.00 0.00 178.44 176.62 1nsh h ASN 78 N 0.38 0.69 0.58 -0.43 -1.24 0.41 1.33 115.58 117.30 1nsh h ASN 78 Ca 0.29 -0.55 -0.03 0.00 0.71 0.00 0.00 56.30 56.72 1nsh h ASN 78 Cb 0.62 -0.21 0.01 0.00 0.73 0.00 0.00 38.32 39.46 1nsh h ASN 78 CO -0.08 1.35 -0.28 -0.07 -1.29 0.00 0.00 177.43 177.06 1nsh h LEU 79 N 0.30 -0.66 -0.06 0.34 4.07 0.16 0.79 115.31 120.25 1nsh h LEU 79 Ca -0.10 -0.03 -0.12 0.00 0.08 0.00 0.00 57.88 57.71 1nsh h LEU 79 Cb 1.62 0.17 0.01 0.00 1.08 0.00 0.00 40.66 43.54 1nsh h LEU 79 CO 0.18 -0.29 -0.45 -0.29 -1.08 0.00 0.00 178.44 176.51 1nsh h ILE 80 N -1.08 1.41 -0.40 1.22 -0.00 0.11 -3.00 117.51 115.77 1nsh h ILE 80 Ca -0.08 -1.86 0.08 0.00 -0.00 0.00 0.00 64.86 63.00 1nsh h ILE 80 Cb 0.65 2.37 -0.07 0.00 -0.00 0.00 0.00 36.82 39.77 1nsh h ILE 80 CO 0.13 0.54 -0.04 1.23 -0.00 0.00 0.00 178.15 180.01 1nsh h GLY 81 N -0.07 0.36 0.16 8.18 0.00 0.17 0.42 103.07 112.29 1nsh h GLY 81 Ca -0.04 0.08 0.15 0.00 0.00 0.00 0.00 47.33 47.52 1nsh h GLY 81 CO 0.09 -0.12 0.36 -1.33 0.00 0.00 0.00 176.54 175.53 1nsh h GLY 82 N 0.06 1.25 0.69 4.60 0.00 -0.86 0.80 103.07 109.61 1nsh h GLY 82 Ca 0.20 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.39 1nsh h GLY 82 CO -0.37 -0.08 0.32 1.41 0.00 0.00 0.00 176.54 177.82 1nsh h LEU 83 N 0.51 0.46 -0.88 3.11 3.38 -0.80 -0.57 115.31 120.52 1nsh h LEU 83 Ca 0.44 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.53 1nsh h LEU 83 Cb 0.66 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1nsh h LEU 83 CO -0.39 0.30 0.53 0.00 0.09 0.00 0.00 178.44 178.97 1nsh h ALA 84 N 1.32 1.27 0.00 1.53 0.00 0.08 0.21 119.26 123.67 1nsh h ALA 84 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1nsh h ALA 84 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nsh h ALA 84 CO -0.18 0.18 0.00 0.28 0.00 0.00 0.00 179.25 179.53 1nsh h VAL 85 N 0.89 0.00 -0.35 0.00 2.07 -0.46 2.05 116.25 120.45 1nsh h VAL 85 Ca 0.42 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1nsh h VAL 85 Cb 0.35 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1nsh h VAL 85 CO -0.24 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.35 1nsh n ALA 86 N -1.92 2.81 0.00 1.67 0.00 0.50 -2.96 120.51 120.61 1nsh n ALA 86 Ca 0.03 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.61 1nsh n ALA 86 Cb 0.34 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.09 0.00 -0.90 0.00 8.25 0.50 -4.95 115.22 117.04 1nsh n HIS 88 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1nsh n HIS 88 Cb 0.00 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.13 1nsh n HIS 88 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1nsh n GLU 89 N -2.73 0.00 -0.82 -0.41 -0.58 0.57 -4.58 120.64 112.09 1nsh n GLU 89 Ca -0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 1nsh n GLU 89 Cb 0.01 -0.83 -0.05 0.00 -0.57 0.00 0.00 31.44 30.00 1nsh n GLU 89 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1nsh n SER 90 N 2.61 2.72 0.00 1.62 2.88 -1.26 -3.39 113.62 118.80 1nsh n SER 90 Ca 0.01 -2.48 0.00 0.00 -1.33 0.00 0.00 58.87 55.07 1nsh n SER 90 Cb 0.44 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 1nsh n SER 90 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1nsh n PHE 91 N 6.51 -0.27 0.23 0.66 -0.00 -1.26 -4.81 117.46 118.52 1nsh n PHE 91 Ca 0.43 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.97 1nsh n PHE 91 Cb 0.29 0.45 0.53 0.00 -0.00 0.00 0.00 39.48 40.75 1nsh n PHE 91 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 1nsh h VAL 92 N 0.00 0.66 0.00 -2.13 3.04 -1.54 -2.49 116.25 113.78 1nsh h VAL 92 Ca 0.00 -0.98 -0.02 0.00 -1.01 0.00 0.00 66.70 64.69 1nsh h VAL 92 Cb 0.00 1.63 -0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1nsh h VAL 92 CO 0.00 0.22 -0.08 0.50 -1.01 0.00 0.00 177.57 177.19 1nsh h LYS 93 N 0.00 0.00 -0.93 4.17 3.64 -1.88 -3.19 116.57 118.37 1nsh h LYS 93 Ca -0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1nsh h LYS 93 Cb 0.61 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.24 1nsh h LYS 93 CO 0.03 0.08 0.41 0.00 -2.27 0.00 0.00 179.45 177.70 1nsh n ALA 94 N -2.12 4.65 -0.09 5.00 0.00 -0.94 -4.36 120.51 122.65 1nsh n ALA 94 Ca 0.03 -2.10 -0.18 0.00 0.00 0.00 0.00 53.44 51.19 1nsh n ALA 94 Cb 0.53 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 1nsh n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh h ALA 95 N 1.70 0.18 -0.52 0.00 0.00 -1.65 -3.16 119.26 115.82 1nsh h ALA 95 Ca 0.40 -0.98 0.08 0.00 0.00 0.00 0.00 54.91 54.41 1nsh h ALA 95 Cb 2.30 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 20.60 1nsh h ALA 95 CO 0.77 0.55 0.15 -1.35 0.00 0.00 0.00 179.25 179.37 1nsh h PRO 96 N -1.00 0.30 -0.06 0.00 0.11 -1.83 -2.58 132.00 126.94 1nsh h PRO 96 Ca -0.24 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.67 1nsh h PRO 96 Cb 1.12 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1nsh h PRO 96 CO -0.15 0.20 -0.73 -1.00 -0.21 0.00 0.00 178.00 176.11 1nsh h PRO 97 N 0.31 0.32 -6.64 1.05 0.13 -1.84 -3.44 132.00 121.88 1nsh h PRO 97 Ca 0.26 -0.26 -0.51 0.00 -0.87 0.00 0.00 66.00 64.61 1nsh h PRO 97 Cb 0.32 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 1nsh h PRO 97 CO -0.30 0.91 0.43 -1.14 -0.23 0.00 0.00 178.00 177.68 1nsh s GLN 98 N -3.57 4.65 -0.17 0.86 0.74 -0.97 -5.04 119.66 116.16 1nsh s GLN 98 Ca -0.05 1.63 -0.02 0.00 0.05 0.00 0.00 55.36 56.97 1nsh s GLN 98 Cb 0.11 -3.30 -0.01 0.00 1.10 0.00 0.00 33.01 30.90 1nsh s GLN 98 CO 0.83 0.15 -0.10 0.15 -0.55 0.00 0.00 175.29 175.77 1nsh s LYS 99 N -0.35 3.37 0.00 1.67 1.02 -1.26 -4.84 119.74 119.35 1nsh s LYS 99 Ca 0.48 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1nsh s LYS 99 Cb -0.27 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1nsh s LYS 99 CO 0.33 0.03 0.00 2.89 -0.92 0.00 0.00 175.35 177.69 1nsh n ARG 100 N 4.07 0.00 0.00 1.68 1.85 -1.26 -5.23 116.66 117.77 1nsh n ARG 100 Ca -0.18 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.69 1nsh n ARG 100 Cb 0.52 -0.56 0.02 0.00 -1.05 0.00 0.00 32.46 31.39 1nsh n ARG 100 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96