#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 1.43 1.74 -1.26 -4.94 116.66 113.63 1nsh n ARG 2 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1nsh n ARG 2 Cb 0.00 0.00 0.45 0.00 -1.02 0.00 0.00 32.46 31.89 1nsh n ARG 2 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1nsh n PRO 3 N -2.99 0.84 -2.17 5.56 -0.04 -1.26 -4.23 135.00 130.71 1nsh n PRO 3 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1nsh n PRO 3 Cb 0.00 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 1nsh n PRO 3 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1nsh s THR 4 N -2.00 2.93 0.33 0.52 -1.32 -1.26 -4.87 115.64 109.97 1nsh s THR 4 Ca 0.23 0.87 0.11 0.00 -1.21 0.00 0.00 61.69 61.69 1nsh s THR 4 Cb 0.10 -3.55 0.33 0.00 -1.51 0.00 0.00 72.50 67.87 1nsh s THR 4 CO 0.17 0.18 1.66 -0.08 -2.21 0.00 0.00 174.62 174.34 1nsh h GLU 5 N 4.16 0.27 -0.29 7.08 4.57 -2.00 0.67 114.58 129.05 1nsh h GLU 5 Ca -0.47 -0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 57.51 1nsh h GLU 5 Cb 1.22 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1nsh h GLU 5 CO 0.70 0.18 -0.53 1.15 -1.18 0.00 0.00 179.01 179.33 1nsh h THR 6 N 0.28 1.28 -0.20 0.32 2.02 -1.95 -2.22 112.91 112.45 1nsh h THR 6 Ca 0.69 -1.72 0.06 0.00 0.77 0.00 0.00 66.41 66.21 1nsh h THR 6 Cb 1.53 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 69.49 1nsh h THR 6 CO -0.63 0.56 -0.24 -0.33 0.37 0.00 0.00 175.52 175.25 1nsh h GLU 7 N 0.65 -0.26 0.00 6.66 4.39 0.07 0.26 114.58 126.35 1nsh h GLU 7 Ca 0.02 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1nsh h GLU 7 Cb 1.13 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1nsh h GLU 7 CO 0.12 -0.18 -0.20 0.00 -1.16 0.00 0.00 179.01 177.59 1nsh h ARG 8 N -0.27 0.00 -0.01 2.33 3.08 -1.38 -2.94 114.38 115.19 1nsh h ARG 8 Ca 0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1nsh h ARG 8 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1nsh h ARG 8 CO -0.36 0.20 0.00 0.00 -1.07 0.00 0.00 179.97 178.74 1nsh h ILE 10 N -0.23 0.30 -0.53 0.00 5.03 -0.83 -2.70 117.51 118.55 1nsh h ILE 10 Ca 0.00 -0.10 0.15 0.00 -0.12 0.00 0.00 64.86 64.79 1nsh h ILE 10 Cb 0.25 0.33 -0.02 0.00 -3.03 0.00 0.00 36.82 34.35 1nsh h ILE 10 CO 0.00 0.01 0.47 -0.08 -0.68 0.00 0.00 178.15 177.87 1nsh h GLU 11 N -0.98 0.00 0.45 2.37 4.22 -1.60 -2.37 114.58 116.67 1nsh h GLU 11 Ca -0.09 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.33 1nsh h GLU 11 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1nsh h GLU 11 CO 0.15 0.00 -0.22 1.03 -2.18 0.00 0.00 179.01 177.80 1nsh h SER 12 N 0.00 -0.51 0.81 1.04 0.87 -1.08 -2.84 113.55 111.85 1nsh h SER 12 Ca 0.25 -0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.61 1nsh h SER 12 Cb 1.19 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.26 1nsh h SER 12 CO -0.00 -0.22 -0.61 -0.07 -0.53 0.00 0.00 176.83 175.39 1nsh h LEU 13 N -0.79 0.00 -0.79 2.23 -0.00 -1.41 -2.99 115.31 111.56 1nsh h LEU 13 Ca -0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.72 1nsh h LEU 13 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1nsh h LEU 13 CO 0.10 0.61 -0.15 0.40 -0.00 0.00 0.00 178.44 179.40 1nsh h ILE 14 N 0.00 1.26 0.05 1.22 2.04 -1.50 -3.16 117.51 117.42 1nsh h ILE 14 Ca -0.01 -1.22 -0.23 0.00 1.00 0.00 0.00 64.86 64.41 1nsh h ILE 14 Cb 1.18 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1nsh h ILE 14 CO 0.08 0.41 -1.04 0.00 0.00 0.00 0.00 178.15 177.61 1nsh h ALA 15 N 1.16 0.33 -0.95 1.87 0.00 -1.50 -1.52 119.26 118.64 1nsh h ALA 15 Ca 0.11 -0.82 0.18 0.00 0.00 0.00 0.00 54.91 54.37 1nsh h ALA 15 Cb 0.63 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1nsh h ALA 15 CO 0.04 1.01 0.60 -0.39 0.00 0.00 0.00 179.25 180.52 1nsh h VAL 16 N 0.07 0.73 0.12 0.00 -1.51 -1.49 0.63 116.25 114.81 1nsh h VAL 16 Ca -0.07 -0.22 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 1nsh h VAL 16 Cb 1.73 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1nsh h VAL 16 CO 0.16 0.12 -0.06 0.15 -1.23 0.00 0.00 177.57 176.71 1nsh h PHE 17 N 0.63 -0.15 -0.68 5.19 3.57 -1.58 -3.33 116.94 120.60 1nsh h PHE 17 Ca 0.51 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 62.15 1nsh h PHE 17 Cb 0.95 0.05 -0.11 0.00 2.79 0.00 0.00 35.95 39.63 1nsh h PHE 17 CO -0.00 0.08 0.07 1.96 -2.23 0.00 0.00 178.31 178.19 1nsh h GLN 18 N -1.01 0.17 -0.55 1.11 1.08 -0.57 0.88 115.11 116.22 1nsh h GLN 18 Ca -0.02 -0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.28 1nsh h GLN 18 Cb 0.30 -0.04 -0.11 0.00 -0.05 0.00 0.00 27.48 27.58 1nsh h GLN 18 CO 0.03 0.11 -0.23 -0.22 -0.95 0.00 0.00 178.83 177.57 1nsh h LYS 19 N 0.17 -0.09 0.00 1.46 1.63 0.12 0.85 116.57 120.71 1nsh h LYS 19 Ca 0.37 0.01 -0.21 0.00 -0.85 0.00 0.00 60.65 59.96 1nsh h LYS 19 Cb 0.62 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.24 1nsh h LYS 19 CO -0.54 -0.06 -1.06 1.88 -3.45 0.00 0.00 179.45 176.22 1nsh h TYR 20 N -0.09 0.00 -0.14 1.91 -1.99 -1.48 -3.24 116.97 111.93 1nsh h TYR 20 Ca 0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.98 1nsh h TYR 20 Cb 0.49 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.22 1nsh h TYR 20 CO -0.53 0.98 0.00 0.00 -0.00 0.00 0.00 178.16 178.61 1nsh n ALA 21 N -2.37 2.57 0.00 3.88 0.00 0.30 -4.86 120.51 120.03 1nsh n ALA 21 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1nsh n ALA 21 Cb 0.94 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 0.56 3.67 0.09 0.00 0.00 0.28 -4.37 105.19 105.42 1nsh n GLY 22 Ca 0.05 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 1nsh n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nsh n LYS 23 N 0.00 0.67 -0.68 1.61 5.02 -1.26 -4.02 118.16 119.50 1nsh n LYS 23 Ca 0.00 0.07 0.06 0.00 -2.02 0.00 0.00 58.31 56.42 1nsh n LYS 23 Cb 0.00 -1.61 0.17 0.00 -0.02 0.00 0.00 35.03 33.57 1nsh n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1nsh n ASP 24 N -2.80 1.64 -1.97 4.39 9.92 -1.26 -5.06 116.55 121.42 1nsh n ASP 24 Ca -0.25 -3.55 -0.01 0.00 -0.53 0.00 0.00 54.79 50.45 1nsh n ASP 24 Cb 1.06 -0.49 -0.01 0.00 -0.64 0.00 0.00 41.12 41.04 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 -0.91 -4.72 1.52 0.44 0.00 -1.26 -5.06 105.19 95.21 1nsh n GLY 25 Ca 0.17 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1nsh n GLY 25 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1nsh n HIS 26 N 1.17 -0.45 -3.70 1.61 -0.00 -1.26 -5.10 115.22 107.49 1nsh n HIS 26 Ca -0.08 0.08 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 1nsh n HIS 26 Cb 0.12 0.27 -0.00 0.00 -0.12 0.00 0.00 29.99 30.26 1nsh n HIS 26 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1nsh n SER 27 N -2.99 -1.21 -1.78 0.26 7.64 -1.26 -5.04 113.62 109.23 1nsh n SER 27 Ca 0.00 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.73 1nsh n SER 27 Cb 0.16 2.11 0.33 0.00 -1.01 0.00 0.00 64.21 65.80 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 -0.37 2.79 -4.12 0.44 0.24 -1.26 -4.87 118.33 111.18 1nsh n VAL 28 Ca -0.03 -1.66 -0.06 0.00 -2.04 0.00 0.00 64.34 60.55 1nsh n VAL 28 Cb 0.39 -0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.43 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 -0.01 0.00 0.00 3.34 -2.24 -1.26 -3.91 114.28 110.19 1nsh n THR 29 Ca 0.34 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1nsh n THR 29 Cb 1.25 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 -3.65 3.22 0.00 -1.26 -4.48 117.00 110.84 1nsh n LEU 30 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 55.98 1nsh n LEU 30 Cb 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.50 1nsh n LEU 30 CO 0.07 0.00 0.79 -0.55 0.00 0.00 0.00 177.39 177.71 1nsh s SER 31 N 1.14 -0.36 0.29 1.96 0.15 -1.26 -3.86 113.70 111.76 1nsh s SER 31 Ca 0.00 0.58 0.04 0.00 0.70 0.00 0.00 55.95 57.27 1nsh s SER 31 Cb 0.00 1.09 0.71 0.00 -1.71 0.00 0.00 66.02 66.12 1nsh s SER 31 CO 0.00 -0.09 1.74 0.11 1.20 0.00 0.00 173.24 176.20 1nsh h LYS 32 N 5.58 0.57 -0.09 5.44 1.57 -1.97 -0.64 116.57 127.03 1nsh h LYS 32 Ca -0.28 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.28 1nsh h LYS 32 Cb 1.18 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.37 1nsh h LYS 32 CO 0.20 0.38 -0.69 1.15 -0.57 0.00 0.00 179.45 179.92 1nsh h THR 33 N 0.59 1.33 -0.35 -0.16 2.02 -2.01 -3.09 112.91 111.24 1nsh h THR 33 Ca 0.56 -1.97 0.10 0.00 0.77 0.00 0.00 66.41 65.87 1nsh h THR 33 Cb 0.95 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 1nsh h THR 33 CO -0.44 0.60 0.28 -0.33 0.37 0.00 0.00 175.52 176.01 1nsh h GLU 34 N 0.27 0.00 -0.08 6.66 3.07 -1.55 0.40 114.58 123.36 1nsh h GLU 34 Ca -0.06 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.69 1nsh h GLU 34 Cb 1.34 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.24 1nsh h GLU 34 CO 0.14 0.00 -0.46 0.35 -1.40 0.00 0.00 179.01 177.64 1nsh h PHE 35 N 0.00 0.23 0.26 4.33 3.04 -1.17 -3.13 116.94 120.49 1nsh h PHE 35 Ca 0.17 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1nsh h PHE 35 Cb 0.72 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 39.15 1nsh h PHE 35 CO 0.00 0.62 -0.48 -0.07 -2.02 0.00 0.00 178.31 176.35 1nsh h LEU 36 N 0.16 -1.40 -0.83 0.59 -0.00 -0.18 -1.42 115.31 112.22 1nsh h LEU 36 Ca 0.01 0.14 0.02 0.00 -0.00 0.00 0.00 57.88 58.04 1nsh h LEU 36 Cb 0.87 0.50 -0.04 0.00 -0.00 0.00 0.00 40.66 41.99 1nsh h LEU 36 CO 0.07 -0.58 0.55 0.77 -0.00 0.00 0.00 178.44 179.25 1nsh h SER 37 N -0.82 0.93 -0.38 -0.43 4.64 -1.59 -2.47 113.55 113.44 1nsh h SER 37 Ca -0.02 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1nsh h SER 37 Cb 0.78 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1nsh h SER 37 CO -0.19 0.67 0.18 0.15 -0.87 0.00 0.00 176.83 176.77 1nsh h PHE 38 N 1.10 0.33 -0.01 4.77 3.57 -1.43 0.43 116.94 125.70 1nsh h PHE 38 Ca 0.31 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1nsh h PHE 38 Cb -0.09 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 1nsh h PHE 38 CO -0.02 0.17 0.00 1.98 -2.23 0.00 0.00 178.31 178.22 1nsh h MET 39 N 0.37 0.01 0.00 1.11 4.05 -0.99 0.86 114.93 120.34 1nsh h MET 39 Ca 0.16 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1nsh h MET 39 Cb 0.08 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1nsh h MET 39 CO -0.12 0.01 0.00 -0.91 0.23 0.00 0.00 176.91 176.11 1nsh h ASN 40 N 0.01 0.00 0.05 1.39 2.35 -1.21 0.18 115.58 118.35 1nsh h ASN 40 Ca 0.00 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.39 1nsh h ASN 40 Cb 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 1nsh h ASN 40 CO -0.00 0.00 -2.33 1.07 -1.65 0.00 0.00 177.43 174.51 1nsh n THR 41 N -3.04 1.42 -1.84 2.81 5.66 0.15 -4.55 114.28 114.89 1nsh n THR 41 Ca 0.02 -0.82 0.04 0.00 -3.05 0.00 0.00 64.05 60.24 1nsh n THR 41 Cb 0.37 -0.62 0.07 0.00 -1.55 0.00 0.00 70.33 68.60 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 -2.83 0.53 -2.70 1.09 1.02 0.29 -4.84 120.64 113.20 1nsh n GLU 42 Ca -0.33 -1.94 -0.07 0.00 -0.02 0.00 0.00 57.16 54.80 1nsh n GLU 42 Cb 1.13 -0.78 0.09 0.00 -0.02 0.00 0.00 31.44 31.87 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 -0.38 -1.87 0.15 -4.62 4.77 0.62 -4.90 117.00 110.75 1nsh n LEU 43 Ca 0.08 -3.21 0.01 0.00 -0.03 0.00 0.00 56.01 52.86 1nsh n LEU 43 Cb 0.79 0.40 0.16 0.00 -2.33 0.00 0.00 43.42 42.44 1nsh n LEU 43 CO -0.01 1.82 0.51 0.00 -1.33 0.00 0.00 177.39 178.38 1nsh h ALA 44 N 2.14 0.81 0.00 -1.18 0.00 -1.76 -2.90 119.26 116.36 1nsh h ALA 44 Ca -0.28 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 1nsh h ALA 44 Cb 1.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1nsh h ALA 44 CO -0.04 0.70 -0.00 0.00 0.00 0.00 0.00 179.25 179.91 1nsh h ALA 45 N 1.44 1.00 0.00 0.00 0.00 -1.93 1.68 119.26 121.45 1nsh h ALA 45 Ca -0.01 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 1nsh h ALA 45 Cb 1.19 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1nsh h ALA 45 CO 0.07 0.00 -2.22 1.19 0.00 0.00 0.00 179.25 178.29 1nsh n PHE 46 N -3.09 0.24 -2.53 0.00 3.01 -1.11 -4.55 117.46 109.44 1nsh n PHE 46 Ca -0.03 0.09 -0.13 0.00 1.01 0.00 0.00 57.45 58.39 1nsh n PHE 46 Cb 0.09 -1.05 0.03 0.00 -0.01 0.00 0.00 39.48 38.54 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 -2.82 1.71 -2.17 4.37 5.66 -0.62 -4.81 114.28 115.60 1nsh n THR 47 Ca -0.29 -3.64 -0.43 0.00 -3.05 0.00 0.00 64.05 56.64 1nsh n THR 47 Cb 1.13 0.08 -0.02 0.00 -1.55 0.00 0.00 70.33 69.97 1nsh n THR 47 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1nsh s LYS 48 N -3.54 3.37 -2.18 1.09 1.02 0.56 -2.79 119.74 117.28 1nsh s LYS 48 Ca 0.37 1.09 0.00 0.00 0.02 0.00 0.00 55.97 57.45 1nsh s LYS 48 Cb 0.39 -4.14 0.00 0.00 -0.52 0.00 0.00 37.83 33.56 1nsh s LYS 48 CO -0.03 -1.81 0.00 -1.71 -0.92 0.00 0.00 175.35 170.88 1nsh n ASN 49 N 9.83 -5.47 -3.28 2.83 5.15 -1.26 -1.96 115.26 121.10 1nsh n ASN 49 Ca 0.19 0.51 -0.23 0.00 -0.60 0.00 0.00 54.58 54.44 1nsh n ASN 49 Cb 0.48 -4.78 0.02 0.00 -0.53 0.00 0.00 39.78 34.97 1nsh n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nsh n GLN 50 N -2.41 -4.24 -0.03 1.20 1.13 -1.12 -4.81 117.38 107.10 1nsh n GLN 50 Ca -0.21 0.66 0.23 0.00 -1.94 0.00 0.00 57.00 55.74 1nsh n GLN 50 Cb 0.67 -5.45 0.72 0.00 0.11 0.00 0.00 30.24 26.29 1nsh n GLN 50 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1nsh h LYS 51 N -1.26 0.00 -3.29 -1.09 3.11 -1.68 -3.31 116.57 109.05 1nsh h LYS 51 Ca -0.48 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 56.78 1nsh h LYS 51 Cb 1.33 0.00 -0.40 0.00 -1.00 0.00 0.00 32.23 32.16 1nsh h LYS 51 CO 0.56 0.00 -0.76 -0.51 -2.81 0.00 0.00 179.45 175.92 1nsh s ASP 52 N -5.76 3.84 -0.04 4.20 1.01 -1.26 -4.99 116.67 113.66 1nsh s ASP 52 Ca -0.05 -1.67 0.02 0.00 0.71 0.00 0.00 52.55 51.57 1nsh s ASP 52 Cb 0.19 -0.74 0.14 0.00 1.01 0.00 0.00 42.92 43.52 1nsh s ASP 52 CO 0.69 -0.40 0.73 -0.81 0.21 0.00 0.00 175.17 175.58 1nsh n PRO 53 N 4.80 1.66 -0.00 8.23 -0.04 -1.25 -3.51 135.00 144.89 1nsh n PRO 53 Ca -0.01 -0.54 0.03 0.00 -0.04 0.00 0.00 63.50 62.93 1nsh n PRO 53 Cb 0.41 -1.62 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 1nsh n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nsh n GLY 54 N 0.11 0.29 0.04 0.55 0.00 -1.26 -4.25 105.19 100.68 1nsh n GLY 54 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.04 1.61 2.07 -1.89 -3.31 116.25 114.77 1nsh h VAL 55 Ca 0.00 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1nsh h VAL 55 Cb 0.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1nsh h VAL 55 CO 0.00 0.00 -0.02 0.25 0.02 0.00 0.00 177.57 177.82 1nsh h LEU 56 N -0.69 -0.04 -1.17 2.57 6.46 -1.86 -2.99 115.31 117.59 1nsh h LEU 56 Ca 0.00 -0.65 0.11 0.00 -0.12 0.00 0.00 57.88 57.23 1nsh h LEU 56 Cb 0.16 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.03 1nsh h LEU 56 CO 0.00 0.68 0.59 -0.78 -0.62 0.00 0.00 178.44 178.31 1nsh h ASP 57 N -0.81 0.81 0.52 1.25 3.58 -1.82 0.08 116.42 120.02 1nsh h ASP 57 Ca -0.01 0.03 -0.18 0.00 0.42 0.00 0.00 57.03 57.29 1nsh h ASP 57 Cb 0.69 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 1nsh h ASP 57 CO 0.01 0.45 -0.81 0.03 -2.88 0.00 0.00 179.24 176.04 1nsh h ARG 58 N 0.88 0.22 0.09 0.28 3.08 -1.67 -2.96 114.38 114.30 1nsh h ARG 58 Ca 0.44 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 1nsh h ARG 58 Cb 0.49 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1nsh h ARG 58 CO -0.20 0.91 -0.05 1.98 -1.07 0.00 0.00 179.97 181.54 1nsh h MET 59 N 0.13 -0.12 -0.04 0.04 4.05 -1.16 -2.04 114.93 115.79 1nsh h MET 59 Ca -0.03 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1nsh h MET 59 Cb 1.40 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 32.23 1nsh h MET 59 CO 0.12 0.40 -0.01 0.52 0.23 0.00 0.00 176.91 178.17 1nsh h MET 60 N -0.82 0.05 0.09 0.39 2.86 -1.14 0.51 114.93 116.87 1nsh h MET 60 Ca -0.01 -0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.47 1nsh h MET 60 Cb 0.58 -0.01 0.02 0.00 0.06 0.00 0.00 31.60 32.25 1nsh h MET 60 CO 0.02 0.07 -0.65 1.57 1.06 0.00 0.00 176.91 178.98 1nsh h LYS 61 N 0.05 0.28 -0.00 1.72 2.10 -1.59 -3.32 116.57 115.82 1nsh h LYS 61 Ca 0.01 -0.43 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1nsh h LYS 61 Cb 0.06 0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1nsh h LYS 61 CO 0.00 1.17 -0.01 0.36 -2.00 0.00 0.00 179.45 178.97 1nsh n LYS 62 N -4.22 0.28 0.28 0.07 -0.00 -0.77 -3.77 118.16 110.03 1nsh n LYS 62 Ca -0.12 -0.01 0.16 0.00 -0.00 0.00 0.00 58.31 58.34 1nsh n LYS 62 Cb 0.74 -1.50 0.86 0.00 -0.00 0.00 0.00 35.03 35.13 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 0.02 0.00 -2.49 -5.58 8.10 -1.00 -3.47 115.31 110.90 1nsh h LEU 63 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 1nsh h LEU 63 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 1nsh h LEU 63 CO 0.00 0.00 -0.87 -0.67 -4.11 0.00 0.00 178.44 172.79 1nsh n ASP 64 N -2.71 -7.58 -4.62 0.17 -0.08 -1.25 -4.92 116.55 95.57 1nsh n ASP 64 Ca -0.02 0.87 -0.41 0.00 -1.51 0.00 0.00 54.79 53.72 1nsh n ASP 64 Cb 0.18 -4.49 -0.06 0.00 2.34 0.00 0.00 41.12 39.09 1nsh n ASP 64 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1nsh s LEU 65 N -1.92 4.10 -0.04 -2.67 1.98 -1.26 -4.78 118.68 114.09 1nsh s LEU 65 Ca 0.11 0.63 0.01 0.00 -2.89 0.00 0.00 54.13 52.00 1nsh s LEU 65 Cb -0.03 -2.93 0.04 0.00 0.66 0.00 0.00 46.19 43.94 1nsh s LEU 65 CO 0.68 -0.48 0.49 0.59 -1.89 0.00 0.00 176.35 175.73 1nsh n ASN 66 N 5.92 -0.36 -4.16 3.68 3.02 -1.26 -5.02 115.26 117.08 1nsh n ASN 66 Ca 0.01 -0.88 -0.37 0.00 -0.03 0.00 0.00 54.58 53.31 1nsh n ASN 66 Cb 0.49 0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.68 1nsh n ASN 66 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1nsh s SER 67 N -0.32 5.34 -0.05 6.41 0.15 -1.26 -4.57 113.70 119.40 1nsh s SER 67 Ca 0.01 -1.87 0.00 0.00 0.70 0.00 0.00 55.95 54.79 1nsh s SER 67 Cb 0.05 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 1nsh s SER 67 CO -0.01 -0.54 0.00 0.47 1.20 0.00 0.00 173.24 174.36 1nsh n ASP 68 N 4.69 -4.88 0.00 5.45 8.00 -1.26 -2.72 116.55 125.82 1nsh n ASP 68 Ca -0.05 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1nsh n ASP 68 Cb 0.42 -2.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.10 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 -0.51 2.94 0.00 0.44 0.00 -1.26 -4.99 105.19 101.81 1nsh n GLY 69 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.79 1.82 0.00 1.61 1.13 -1.10 -4.91 117.38 115.14 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 -4.04 117.00 120.78 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 -4.59 116.55 111.24 1nsh n ASP 72 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1nsh n ASP 72 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.00 0.00 -0.67 -0.00 -1.96 -3.37 116.94 110.94 1nsh h PHE 73 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.97 57.79 1nsh h PHE 73 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 35.93 1nsh h PHE 73 CO 0.00 0.26 -0.82 0.37 -0.00 0.00 0.00 178.31 178.12 1nsh h GLN 74 N -1.00 0.05 -0.95 6.09 5.75 -1.97 -3.21 115.11 119.87 1nsh h GLN 74 Ca -0.03 -0.05 0.28 0.00 -0.15 0.00 0.00 58.65 58.70 1nsh h GLN 74 Cb 0.38 0.02 -0.15 0.00 1.07 0.00 0.00 27.48 28.79 1nsh h GLN 74 CO -0.02 0.84 0.39 0.93 -2.65 0.00 0.00 178.83 178.33 1nsh h GLU 75 N 0.03 0.24 0.22 1.69 5.08 -1.95 2.58 114.58 122.48 1nsh h GLU 75 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1nsh h GLU 75 Cb 1.45 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1nsh h GLU 75 CO 0.11 0.16 -0.11 0.35 -1.00 0.00 0.00 179.01 178.52 1nsh h PHE 76 N 0.25 -0.28 -0.77 4.33 3.04 -1.72 1.12 116.94 122.91 1nsh h PHE 76 Ca 0.65 -0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.77 1nsh h PHE 76 Cb 1.42 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 39.98 1nsh h PHE 76 CO -0.15 0.11 0.52 -0.07 -2.02 0.00 0.00 178.31 176.70 1nsh h LEU 77 N -0.80 0.32 -0.07 0.59 3.38 -0.76 0.79 115.31 118.75 1nsh h LEU 77 Ca -0.03 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1nsh h LEU 77 Cb 0.51 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1nsh h LEU 77 CO 0.05 0.15 -0.84 0.78 0.09 0.00 0.00 178.44 178.67 1nsh h ASN 78 N 0.33 0.86 0.60 -0.43 2.35 0.45 0.97 115.58 120.71 1nsh h ASN 78 Ca 0.38 -0.69 -0.03 0.00 -0.55 0.00 0.00 56.30 55.42 1nsh h ASN 78 Cb 1.01 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 39.12 1nsh h ASN 78 CO -0.11 1.42 -0.29 -0.07 -1.65 0.00 0.00 177.43 176.74 1nsh h LEU 79 N 0.37 -0.68 -0.06 1.61 -0.00 0.55 -0.95 115.31 116.16 1nsh h LEU 79 Ca -0.08 -0.03 -0.18 0.00 -0.00 0.00 0.00 57.88 57.58 1nsh h LEU 79 Cb 1.49 0.18 0.01 0.00 -0.00 0.00 0.00 40.66 42.34 1nsh h LEU 79 CO 0.17 -0.33 -0.68 -0.29 -0.00 0.00 0.00 178.44 177.31 1nsh h ILE 80 N -1.05 1.35 -0.30 1.22 -0.00 0.23 -3.12 117.51 115.84 1nsh h ILE 80 Ca -0.08 -2.01 0.06 0.00 -0.00 0.00 0.00 64.86 62.84 1nsh h ILE 80 Cb 0.67 2.32 -0.06 0.00 -0.00 0.00 0.00 36.82 39.74 1nsh h ILE 80 CO 0.13 0.61 -0.13 1.23 -0.00 0.00 0.00 178.15 179.99 1nsh h GLY 81 N 0.17 0.12 0.34 8.18 0.00 0.90 -0.20 103.07 112.58 1nsh h GLY 81 Ca -0.07 0.17 0.13 0.00 0.00 0.00 0.00 47.33 47.56 1nsh h GLY 81 CO 0.14 -0.15 0.50 -1.33 0.00 0.00 0.00 176.54 175.69 1nsh h GLY 82 N -0.08 1.44 1.01 4.60 0.00 -1.23 -0.19 103.07 108.60 1nsh h GLY 82 Ca 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1nsh h GLY 82 CO -0.35 0.04 0.42 1.41 0.00 0.00 0.00 176.54 178.06 1nsh h LEU 83 N 0.75 0.88 -1.68 3.11 3.38 -1.04 -0.06 115.31 120.64 1nsh h LEU 83 Ca 0.46 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.50 1nsh h LEU 83 Cb 0.57 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1nsh h LEU 83 CO -0.31 0.70 0.47 0.00 0.09 0.00 0.00 178.44 179.39 1nsh h ALA 84 N 1.21 2.21 0.00 1.53 0.00 0.57 1.27 119.26 126.05 1nsh h ALA 84 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1nsh h ALA 84 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nsh h ALA 84 CO -0.04 -0.40 -0.49 0.28 0.00 0.00 0.00 179.25 178.60 1nsh h VAL 85 N 0.32 0.00 -0.25 0.00 2.07 -0.76 0.44 116.25 118.06 1nsh h VAL 85 Ca 0.34 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1nsh h VAL 85 Cb 0.88 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 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 -2.00 2.41 0.00 1.67 0.00 0.12 -3.97 120.51 118.74 1nsh n ALA 86 Ca 0.03 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1nsh n ALA 86 Cb 0.50 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.83 -1.56 0.00 0.00 -0.00 0.15 -4.85 115.22 107.13 1nsh n HIS 88 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1nsh n HIS 88 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1nsh n HIS 88 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1nsh n GLU 89 N -0.47 0.20 0.00 1.57 1.02 -1.22 -2.76 120.64 118.98 1nsh n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1nsh n GLU 89 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1nsh n GLU 89 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1nsh n SER 90 N -0.94 0.00 -0.01 1.62 2.88 -1.26 -3.83 113.62 112.08 1nsh n SER 90 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1nsh n SER 90 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1nsh n SER 90 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1nsh n PHE 91 N 0.00 0.00 -1.48 0.66 3.72 -1.26 -4.97 117.46 114.14 1nsh n PHE 91 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 1nsh n PHE 91 Cb 0.00 -0.04 0.11 0.00 -0.94 0.00 0.00 39.48 38.61 1nsh n PHE 91 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1nsh s VAL 92 N -2.02 2.65 -0.80 -4.37 1.01 -1.11 -3.58 120.40 112.18 1nsh s VAL 92 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1nsh s VAL 92 Cb 0.01 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1nsh s VAL 92 CO 0.02 -0.28 0.00 2.29 0.00 0.00 0.00 175.10 177.14 1nsh n LYS 93 N -3.63 -2.19 0.00 2.72 2.85 -1.26 -4.57 118.16 112.07 1nsh n LYS 93 Ca 0.07 0.45 0.00 0.00 -1.05 0.00 0.00 58.31 57.78 1nsh n LYS 93 Cb 0.57 -4.94 0.00 0.00 -0.65 0.00 0.00 35.03 30.01 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 -1.84 1.88 -3.22 0.58 0.00 -1.23 -4.93 120.51 111.74 1nsh n ALA 94 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 1nsh n ALA 94 Cb 0.52 0.20 -0.06 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.78 3.11 -0.12 0.00 0.00 -1.25 -4.96 120.51 115.51 1nsh n ALA 95 Ca 0.00 -3.96 -0.06 0.00 0.00 0.00 0.00 53.44 49.42 1nsh n ALA 95 Cb 0.23 -0.85 0.02 0.00 0.00 0.00 0.00 19.45 18.86 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 3.69 0.36 -0.23 0.00 0.11 -1.91 -1.87 132.00 132.15 1nsh h PRO 96 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1nsh h PRO 96 Cb 0.78 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1nsh h PRO 96 CO 0.62 0.24 0.00 -0.35 -0.21 0.00 0.00 178.00 178.30 1nsh n PRO 97 N -4.95 1.62 -1.43 1.05 -0.04 -1.26 -3.82 135.00 126.16 1nsh n PRO 97 Ca 0.02 -0.95 -0.05 0.00 -0.04 0.00 0.00 63.50 62.48 1nsh n PRO 97 Cb 0.12 -1.27 0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1nsh n PRO 97 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nsh n GLN 98 N 0.23 2.09 -4.83 0.54 1.13 -0.71 -5.04 117.38 110.79 1nsh n GLN 98 Ca 0.12 -3.45 -0.32 0.00 -1.94 0.00 0.00 57.00 51.40 1nsh n GLN 98 Cb 0.25 -1.63 -0.13 0.00 0.11 0.00 0.00 30.24 28.83 1nsh n GLN 98 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1nsh s LYS 99 N -3.00 2.36 0.20 -1.09 -2.85 -1.16 -4.95 119.74 109.25 1nsh s LYS 99 Ca 0.41 -0.79 -0.10 0.00 -1.00 0.00 0.00 55.97 54.49 1nsh s LYS 99 Cb 0.38 -2.31 0.04 0.00 -2.06 0.00 0.00 37.83 33.88 1nsh s LYS 99 CO -0.04 0.59 0.51 -2.13 0.10 0.00 0.00 175.35 174.38 1nsh n ARG 100 N 2.05 0.60 0.00 1.78 0.00 -1.26 -5.11 116.66 114.73 1nsh n ARG 100 Ca -0.17 -1.20 0.00 0.00 -0.00 0.00 0.00 57.85 56.48 1nsh n ARG 100 Cb 0.52 1.53 0.00 0.00 0.00 0.00 0.00 32.46 34.51 1nsh n ARG 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82