#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 1.06 0.00 4.33 1.74 -1.26 -5.09 116.66 117.44 1nsh n ARG 2 Ca 0.00 -3.73 0.00 0.00 -0.77 0.00 0.00 57.85 53.35 1nsh n ARG 2 Cb 0.00 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 1nsh n ARG 2 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1nsh n PRO 3 N 2.00 0.00 -3.86 5.56 -0.02 -1.26 -5.07 135.00 132.35 1nsh n PRO 3 Ca 0.25 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.63 1nsh n PRO 3 Cb 0.45 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.84 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 0.10 0.24 3.45 -1.32 -1.26 -5.02 115.64 111.83 1nsh s THR 4 Ca 0.00 -0.79 -0.10 0.00 -1.21 0.00 0.00 61.69 59.60 1nsh s THR 4 Cb 0.00 -0.66 0.31 0.00 -1.51 0.00 0.00 72.50 70.64 1nsh s THR 4 CO 0.00 -0.43 1.61 -0.08 -2.21 0.00 0.00 174.62 173.51 1nsh h GLU 5 N 3.90 0.02 -0.77 7.08 4.57 -2.01 0.51 114.58 127.88 1nsh h GLU 5 Ca -0.31 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 1nsh h GLU 5 Cb 1.19 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 1nsh h GLU 5 CO 0.44 0.01 0.35 1.15 -1.18 0.00 0.00 179.01 179.79 1nsh h THR 6 N 0.02 1.25 -0.84 0.32 2.02 -2.00 -1.61 112.91 112.07 1nsh h THR 6 Ca 0.39 -0.72 0.24 0.00 0.77 0.00 0.00 66.41 67.09 1nsh h THR 6 Cb 0.63 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1nsh h THR 6 CO -0.77 0.30 0.60 -0.08 0.37 0.00 0.00 175.52 175.95 1nsh h GLU 7 N 1.11 0.02 0.00 6.66 4.22 -0.39 0.83 114.58 127.02 1nsh h GLU 7 Ca 0.26 -0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.54 1nsh h GLU 7 Cb 0.14 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1nsh h GLU 7 CO -0.03 0.01 -0.77 0.00 -2.18 0.00 0.00 179.01 176.04 1nsh h ARG 8 N 0.02 0.00 -0.03 1.92 3.08 -0.83 -2.87 114.38 115.67 1nsh h ARG 8 Ca 0.40 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.24 1nsh h ARG 8 Cb 1.58 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.65 1nsh h ARG 8 CO -0.01 0.77 -0.81 0.00 -1.07 0.00 0.00 179.97 178.85 1nsh h ILE 10 N 0.22 0.82 -0.59 0.00 5.03 -1.21 -3.11 117.51 118.67 1nsh h ILE 10 Ca -0.09 -0.76 0.17 0.00 -0.12 0.00 0.00 64.86 64.06 1nsh h ILE 10 Cb 1.48 1.23 -0.02 0.00 -3.03 0.00 0.00 36.82 36.47 1nsh h ILE 10 CO 0.16 0.16 0.54 -0.08 -0.68 0.00 0.00 178.15 178.24 1nsh h GLU 11 N -0.72 0.00 0.20 2.37 4.81 -1.64 -1.86 114.58 117.74 1nsh h GLU 11 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1nsh h GLU 11 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1nsh h GLU 11 CO 0.05 0.00 -0.09 0.77 -0.73 0.00 0.00 179.01 179.01 1nsh h SER 12 N 0.00 -0.22 0.19 1.04 0.02 -1.51 -2.96 113.55 110.11 1nsh h SER 12 Ca 0.28 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1nsh h SER 12 Cb 1.35 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.94 1nsh h SER 12 CO -0.00 0.32 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.78 1nsh h LEU 13 N -0.95 0.00 -0.54 5.07 -0.00 -1.40 -1.57 115.31 115.93 1nsh h LEU 13 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.71 1nsh h LEU 13 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 1nsh h LEU 13 CO 0.04 0.15 -0.32 0.40 -0.00 0.00 0.00 178.44 178.71 1nsh h ILE 14 N 0.00 1.28 0.02 1.22 2.04 -1.45 -3.21 117.51 117.42 1nsh h ILE 14 Ca -0.00 -1.48 -0.21 0.00 1.00 0.00 0.00 64.86 64.17 1nsh h ILE 14 Cb 0.29 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1nsh h ILE 14 CO 0.02 0.49 -0.98 0.00 0.00 0.00 0.00 178.15 177.68 1nsh h ALA 15 N 0.93 0.40 -0.95 1.87 0.00 -1.24 -2.10 119.26 118.17 1nsh h ALA 15 Ca 0.07 -0.83 0.12 0.00 0.00 0.00 0.00 54.91 54.27 1nsh h ALA 15 Cb 0.87 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1nsh h ALA 15 CO 0.08 1.09 0.58 -0.39 0.00 0.00 0.00 179.25 180.61 1nsh h VAL 16 N 0.03 0.89 0.00 0.00 -1.51 -1.30 0.02 116.25 114.38 1nsh h VAL 16 Ca -0.04 -0.31 -0.02 0.00 -1.23 0.00 0.00 66.70 65.10 1nsh h VAL 16 Cb 1.68 -0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1nsh h VAL 16 CO 0.14 0.17 -0.15 2.19 -1.23 0.00 0.00 177.57 178.69 1nsh h PHE 17 N 0.91 0.00 0.00 5.19 -5.15 -1.59 -3.37 116.94 112.93 1nsh h PHE 17 Ca 0.48 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 58.23 1nsh h PHE 17 Cb 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.67 1nsh h PHE 17 CO -0.02 0.49 -0.07 -0.56 -2.00 0.00 0.00 178.31 176.15 1nsh h GLN 18 N -1.00 0.00 -0.24 6.09 -0.00 -1.34 0.59 115.11 119.21 1nsh h GLN 18 Ca -0.03 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.68 1nsh h GLN 18 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.94 1nsh h GLN 18 CO -0.02 0.07 -0.14 -0.22 -0.00 0.00 0.00 178.83 178.52 1nsh h LYS 19 N 0.00 -0.12 0.00 0.06 1.63 -1.14 0.87 116.57 117.87 1nsh h LYS 19 Ca -0.00 0.01 -0.20 0.00 -0.85 0.00 0.00 60.65 59.61 1nsh h LYS 19 Cb 0.20 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 1nsh h LYS 19 CO 0.01 -0.08 -1.00 1.88 -3.45 0.00 0.00 179.45 176.81 1nsh h TYR 20 N -0.13 0.00 -0.17 1.91 -1.99 -1.57 -3.26 116.97 111.77 1nsh h TYR 20 Ca 0.13 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1nsh h TYR 20 Cb 0.33 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.05 1nsh h TYR 20 CO -0.32 0.90 0.00 0.00 -0.00 0.00 0.00 178.16 178.75 1nsh n ALA 21 N -2.35 2.93 -1.00 3.88 0.00 0.20 -4.88 120.51 119.29 1nsh n ALA 21 Ca -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1nsh n ALA 21 Cb 0.91 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 0.18 -3.28 2.88 0.00 0.00 0.29 -4.49 105.19 100.77 1nsh n GLY 22 Ca 0.08 -1.11 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 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 -4.59 -0.82 1.61 5.02 -1.26 -4.95 118.16 113.17 1nsh n LYS 23 Ca 0.00 0.73 -0.29 0.00 -2.02 0.00 0.00 58.31 56.73 1nsh n LYS 23 Cb 0.00 -5.27 0.20 0.00 -0.02 0.00 0.00 35.03 29.94 1nsh n LYS 23 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nsh s ASP 24 N -2.87 2.08 0.00 4.39 1.11 -1.26 -4.38 116.67 115.73 1nsh s ASP 24 Ca 0.30 1.56 0.00 0.00 0.18 0.00 0.00 52.55 54.59 1nsh s ASP 24 Cb -0.13 -2.24 0.00 0.00 1.07 0.00 0.00 42.92 41.61 1nsh s ASP 24 CO 0.37 -3.52 0.00 0.61 1.18 0.00 0.00 175.17 173.81 1nsh n GLY 25 N -0.03 0.61 0.06 0.21 0.00 -1.26 -4.87 105.19 99.90 1nsh n GLY 25 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -3.63 1.61 8.25 -1.26 -5.06 115.22 115.13 1nsh n HIS 26 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 1nsh n HIS 26 Cb 0.00 -0.60 -0.06 0.00 1.12 0.00 0.00 29.99 30.46 1nsh n HIS 26 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1nsh s SER 27 N -4.56 -0.19 -1.16 0.41 0.15 -1.26 -5.09 113.70 101.99 1nsh s SER 27 Ca -0.07 0.30 -0.14 0.00 0.70 0.00 0.00 55.95 56.74 1nsh s SER 27 Cb 0.04 0.28 0.18 0.00 -1.71 0.00 0.00 66.02 64.81 1nsh s SER 27 CO 0.48 -0.11 1.35 0.54 1.20 0.00 0.00 173.24 176.70 1nsh s VAL 28 N -0.44 5.14 0.14 4.45 0.11 -1.26 -4.73 120.40 123.81 1nsh s VAL 28 Ca 0.05 -2.64 -0.17 0.00 -2.93 0.00 0.00 61.98 56.30 1nsh s VAL 28 Cb -0.03 -4.85 0.03 0.00 -1.53 0.00 0.00 36.38 30.00 1nsh s VAL 28 CO -0.08 -1.54 0.43 0.42 -3.33 0.00 0.00 175.10 171.00 1nsh s THR 29 N 1.29 0.06 0.00 5.04 -4.23 -1.26 -4.37 115.64 112.16 1nsh s THR 29 Ca 0.40 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1nsh s THR 29 Cb -0.04 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1nsh s THR 29 CO -0.02 -0.26 0.00 -0.11 -0.54 0.00 0.00 174.62 173.69 1nsh n LEU 30 N -0.26 0.00 0.00 4.79 0.00 -1.26 -4.71 117.00 115.56 1nsh n LEU 30 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.86 1nsh n LEU 30 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.06 1nsh n LEU 30 CO 0.17 0.00 0.00 -0.24 0.00 0.00 0.00 177.39 177.32 1nsh n SER 31 N 0.00 0.00 -0.31 1.96 2.88 -1.26 -4.01 113.62 112.88 1nsh n SER 31 Ca 0.00 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.75 1nsh n SER 31 Cb 0.00 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 63.96 1nsh n SER 31 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1nsh h LYS 32 N 0.00 0.41 -0.06 -1.46 3.64 -1.95 0.04 116.57 117.19 1nsh h LYS 32 Ca 0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1nsh h LYS 32 Cb 0.00 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1nsh h LYS 32 CO 0.00 0.27 -0.40 1.15 -2.27 0.00 0.00 179.45 178.20 1nsh h THR 33 N 0.42 1.42 -0.37 1.00 2.02 -2.01 -3.11 112.91 112.29 1nsh h THR 33 Ca 0.57 -1.83 0.11 0.00 0.77 0.00 0.00 66.41 66.03 1nsh h THR 33 Cb 1.40 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 70.18 1nsh h THR 33 CO -0.28 0.53 0.29 -0.33 0.37 0.00 0.00 175.52 176.10 1nsh h GLU 34 N -0.12 0.00 0.00 6.66 5.08 -1.41 0.58 114.58 125.37 1nsh h GLU 34 Ca -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1nsh h GLU 34 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1nsh h GLU 34 CO 0.08 0.00 -0.39 0.35 -1.00 0.00 0.00 179.01 178.05 1nsh h PHE 35 N 0.00 0.00 0.46 4.33 3.57 -1.21 -3.15 116.94 120.93 1nsh h PHE 35 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1nsh h PHE 35 Cb 0.74 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1nsh h PHE 35 CO 0.00 0.39 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.94 1nsh h LEU 36 N 0.00 -1.27 -0.62 0.59 -0.00 0.22 -1.19 115.31 113.05 1nsh h LEU 36 Ca -0.00 0.10 0.07 0.00 -0.00 0.00 0.00 57.88 58.05 1nsh h LEU 36 Cb 0.86 0.42 -0.06 0.00 -0.00 0.00 0.00 40.66 41.88 1nsh h LEU 36 CO 0.05 -0.62 0.30 0.28 -0.00 0.00 0.00 178.44 178.45 1nsh h SER 37 N -0.93 0.39 -0.15 -0.43 0.02 -1.56 0.12 113.55 111.00 1nsh h SER 37 Ca -0.05 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1nsh h SER 37 Cb 0.82 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1nsh h SER 37 CO -0.07 0.24 0.14 0.15 -1.14 0.00 0.00 176.83 176.16 1nsh h PHE 38 N 0.54 0.00 0.16 3.45 3.04 -1.44 -0.63 116.94 122.06 1nsh h PHE 38 Ca 0.29 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.24 1nsh h PHE 38 Cb 0.27 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1nsh h PHE 38 CO -0.12 0.00 -0.08 1.98 -2.02 0.00 0.00 178.31 178.08 1nsh h MET 39 N 0.00 -0.21 0.00 1.11 4.05 0.46 0.01 114.93 120.35 1nsh h MET 39 Ca 0.07 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1nsh h MET 39 Cb 0.35 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1nsh h MET 39 CO -0.00 -0.14 0.16 -0.91 0.23 0.00 0.00 176.91 176.26 1nsh h ASN 40 N -0.60 0.00 0.10 1.39 2.35 -1.18 1.70 115.58 119.34 1nsh h ASN 40 Ca -0.02 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.50 1nsh h ASN 40 Cb 0.17 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1nsh h ASN 40 CO 0.04 0.00 -2.13 1.07 -1.65 0.00 0.00 177.43 174.75 1nsh n THR 41 N -2.89 0.96 0.00 2.81 5.66 -0.26 -4.49 114.28 116.06 1nsh n THR 41 Ca -0.02 -0.73 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 1nsh n THR 41 Cb 0.22 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.63 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 -2.63 0.00 -2.25 1.09 1.02 -0.03 -4.86 120.64 112.98 1nsh n GLU 42 Ca -0.21 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.64 1nsh n GLU 42 Cb 0.94 -0.70 0.01 0.00 -0.02 0.00 0.00 31.44 31.68 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 -2.09 5.42 0.06 -4.62 4.77 0.40 -4.71 117.00 116.23 1nsh n LEU 43 Ca 0.00 -5.03 -0.17 0.00 -0.03 0.00 0.00 56.01 50.78 1nsh n LEU 43 Cb 0.25 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 1nsh n LEU 43 CO 0.00 2.09 -0.34 0.00 -1.33 0.00 0.00 177.39 177.81 1nsh h ALA 44 N 2.57 0.29 -0.18 -1.18 0.00 0.17 -3.30 119.26 117.63 1nsh h ALA 44 Ca 0.38 -1.12 0.05 0.00 0.00 0.00 0.00 54.91 54.22 1nsh h ALA 44 Cb 0.84 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1nsh h ALA 44 CO 0.98 1.15 0.37 0.00 0.00 0.00 0.00 179.25 181.75 1nsh h ALA 45 N 0.50 1.68 0.00 0.00 0.00 -1.84 1.29 119.26 120.89 1nsh h ALA 45 Ca -0.25 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.40 1nsh h ALA 45 Cb 2.01 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 1nsh h ALA 45 CO 0.16 -0.46 -1.56 0.74 0.00 0.00 0.00 179.25 178.13 1nsh h PHE 46 N 0.00 0.00 -1.03 0.00 -1.00 -1.94 -3.39 116.94 109.58 1nsh h PHE 46 Ca 0.09 0.00 -0.43 0.00 2.81 0.00 0.00 57.97 60.44 1nsh h PHE 46 Cb 0.82 0.00 -0.41 0.00 3.61 0.00 0.00 35.95 39.97 1nsh h PHE 46 CO 0.00 0.91 -1.01 -2.37 -1.61 0.00 0.00 178.31 174.23 1nsh n THR 47 N -3.05 1.61 -0.12 -1.55 5.66 0.12 -4.47 114.28 112.48 1nsh n THR 47 Ca -0.13 -3.71 -0.25 0.00 -3.05 0.00 0.00 64.05 56.91 1nsh n THR 47 Cb 0.99 0.01 -0.11 0.00 -1.55 0.00 0.00 70.33 69.68 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 0.58 -0.40 1.09 2.85 0.40 -4.53 118.16 117.80 1nsh n LYS 48 Ca 0.21 0.45 0.07 0.00 -1.05 0.00 0.00 58.31 57.99 1nsh n LYS 48 Cb 0.79 -1.65 0.21 0.00 -0.65 0.00 0.00 35.03 33.73 1nsh n LYS 48 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1nsh n ASN 49 N -4.33 3.01 -2.05 -5.58 3.02 -1.26 -4.95 115.26 103.11 1nsh n ASN 49 Ca -0.41 -3.23 -0.11 0.00 -0.03 0.00 0.00 54.58 50.80 1nsh n ASN 49 Cb 0.77 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 1nsh n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nsh n GLN 50 N -0.95 -1.94 -0.11 3.52 1.13 -1.26 -4.79 117.38 112.98 1nsh n GLN 50 Ca 0.22 0.57 0.10 0.00 -1.94 0.00 0.00 57.00 55.94 1nsh n GLN 50 Cb 0.83 -5.02 0.45 0.00 0.11 0.00 0.00 30.24 26.60 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 0.00 0.51 -2.91 -1.09 3.64 -1.92 -3.25 116.57 111.55 1nsh h LYS 51 Ca -0.25 -0.03 -0.61 0.00 -1.27 0.00 0.00 60.65 58.49 1nsh h LYS 51 Cb 1.02 -0.11 -0.41 0.00 -0.41 0.00 0.00 32.23 32.32 1nsh h LYS 51 CO 0.31 0.33 -0.69 -0.51 -2.27 0.00 0.00 179.45 176.63 1nsh s ASP 52 N -6.26 3.84 0.04 4.20 1.11 -1.26 -4.93 116.67 113.41 1nsh s ASP 52 Ca -0.08 -3.52 0.16 0.00 0.18 0.00 0.00 52.55 49.28 1nsh s ASP 52 Cb 0.19 -1.28 0.66 0.00 1.07 0.00 0.00 42.92 43.56 1nsh s ASP 52 CO 0.75 -0.13 1.49 -0.81 1.18 0.00 0.00 175.17 177.66 1nsh n PRO 53 N 2.37 0.03 0.14 8.23 -0.04 -1.23 -2.54 135.00 141.95 1nsh n PRO 53 Ca 0.21 0.29 0.04 0.00 -0.04 0.00 0.00 63.50 63.99 1nsh n PRO 53 Cb 0.38 -1.56 0.03 0.00 -0.04 0.00 0.00 33.50 32.31 1nsh n PRO 53 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1nsh h GLY 54 N 2.37 0.00 0.00 0.55 0.00 -1.92 -2.86 103.07 101.20 1nsh h GLY 54 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1nsh h GLY 54 CO 0.00 0.00 -0.45 -0.39 0.00 0.00 0.00 176.54 175.70 1nsh h VAL 55 N 0.00 0.89 0.13 4.60 -1.51 -1.72 -3.01 116.25 115.63 1nsh h VAL 55 Ca -0.02 -1.81 -0.00 0.00 -1.23 0.00 0.00 66.70 63.64 1nsh h VAL 55 Cb 1.34 1.81 -0.00 0.00 -2.13 0.00 0.00 31.29 32.32 1nsh h VAL 55 CO 0.05 0.30 -0.07 0.25 -1.23 0.00 0.00 177.57 176.87 1nsh h LEU 56 N -1.00 -0.18 -1.46 4.19 7.12 -1.71 -2.63 115.31 119.63 1nsh h LEU 56 Ca -0.10 0.01 -0.05 0.00 0.13 0.00 0.00 57.88 57.87 1nsh h LEU 56 Cb 0.80 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.98 1nsh h LEU 56 CO -0.06 -0.12 -0.23 -0.78 -0.13 0.00 0.00 178.44 177.11 1nsh h ASP 57 N -0.20 0.00 -0.49 1.25 3.58 -1.70 -2.79 116.42 116.06 1nsh h ASP 57 Ca -0.01 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.49 1nsh h ASP 57 Cb 0.16 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 1nsh h ASP 57 CO 0.02 0.23 0.33 -0.09 -2.88 0.00 0.00 179.24 176.85 1nsh h ARG 58 N 0.00 0.43 0.11 0.28 2.43 -1.32 0.83 114.38 117.14 1nsh h ARG 58 Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1nsh h ARG 58 Cb 0.57 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1nsh h ARG 58 CO 0.03 0.29 -0.05 0.00 -1.51 0.00 0.00 179.97 178.73 1nsh h MET 59 N 0.45 -0.14 -0.89 0.20 -0.00 -1.49 -2.41 114.93 110.65 1nsh h MET 59 Ca 0.21 0.01 -0.02 0.00 -0.00 0.00 0.00 59.70 59.90 1nsh h MET 59 Cb 0.27 0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 31.86 1nsh h MET 59 CO -0.05 0.34 0.48 0.52 -0.00 0.00 0.00 176.91 178.20 1nsh h MET 60 N -0.90 1.24 0.44 -0.10 2.86 -1.50 0.46 114.93 117.44 1nsh h MET 60 Ca -0.01 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1nsh h MET 60 Cb 0.54 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1nsh h MET 60 CO 0.02 0.91 -0.21 -0.22 1.06 0.00 0.00 176.91 178.47 1nsh h LYS 61 N 1.25 -0.57 -0.00 1.72 1.63 0.58 -2.20 116.57 118.97 1nsh h LYS 61 Ca 0.31 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 1nsh h LYS 61 Cb 0.03 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1nsh h LYS 61 CO -0.05 -0.38 0.00 1.17 -3.45 0.00 0.00 179.45 176.74 1nsh n LYS 62 N -5.34 1.03 -0.42 1.90 0.00 -0.91 -4.04 118.16 110.38 1nsh n LYS 62 Ca -0.11 -0.05 0.40 0.00 0.00 0.00 0.00 58.31 58.55 1nsh n LYS 62 Cb 0.25 -1.39 0.77 0.00 0.00 0.00 0.00 35.03 34.66 1nsh n LYS 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1nsh h LEU 63 N 0.11 0.00 -7.24 3.14 7.12 0.60 -3.28 115.31 115.75 1nsh h LEU 63 Ca 0.00 0.00 -0.46 0.00 0.13 0.00 0.00 57.88 57.55 1nsh h LEU 63 Cb 0.02 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 40.19 1nsh h LEU 63 CO 0.00 0.00 1.46 -0.90 -0.13 0.00 0.00 178.44 178.87 1nsh n ASP 64 N -4.10 2.27 -3.94 1.25 5.75 -1.26 -4.79 116.55 111.73 1nsh n ASP 64 Ca 0.30 -2.63 -0.43 0.00 -0.01 0.00 0.00 54.79 52.03 1nsh n ASP 64 Cb 1.44 -1.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1nsh n ASP 64 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nsh n LEU 65 N 11.48 6.50 0.00 -2.12 7.99 -1.24 -4.86 117.00 134.74 1nsh n LEU 65 Ca 0.47 -4.72 0.00 0.00 -0.01 0.00 0.00 56.01 51.75 1nsh n LEU 65 Cb 0.43 -1.46 0.00 0.00 -0.11 0.00 0.00 43.42 42.28 1nsh n LEU 65 CO 0.90 1.37 0.00 0.59 -1.51 0.00 0.00 177.39 178.75 1nsh n ASN 66 N 3.62 0.00 -4.69 -1.43 5.03 -1.26 -4.81 115.26 111.72 1nsh n ASN 66 Ca 0.37 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.38 1nsh n ASN 66 Cb 0.36 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.09 1nsh n ASN 66 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1nsh n SER 67 N 1.78 3.30 -4.35 6.41 7.64 -1.26 -4.98 113.62 122.16 1nsh n SER 67 Ca 0.00 1.10 -0.34 0.00 1.01 0.00 0.00 58.87 60.64 1nsh n SER 67 Cb 0.00 -1.48 -0.14 0.00 -1.01 0.00 0.00 64.21 61.58 1nsh n SER 67 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1nsh s ASP 68 N 0.79 4.12 0.00 6.43 1.11 -1.26 -4.62 116.67 123.24 1nsh s ASP 68 Ca 0.74 -0.35 0.00 0.00 0.18 0.00 0.00 52.55 53.12 1nsh s ASP 68 Cb -0.62 -1.66 0.00 0.00 1.07 0.00 0.00 42.92 41.71 1nsh s ASP 68 CO 0.40 0.10 0.00 0.61 1.18 0.00 0.00 175.17 177.46 1nsh n GLY 69 N 3.99 3.39 3.32 0.21 0.00 -1.26 -5.08 105.19 109.76 1nsh n GLY 69 Ca -0.18 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 1nsh n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nsh s GLN 70 N 0.00 1.40 0.00 1.61 -1.52 -1.26 -5.01 119.66 114.88 1nsh s GLN 70 Ca 0.00 -1.75 0.00 0.00 -1.95 0.00 0.00 55.36 51.66 1nsh s GLN 70 Cb 0.00 -0.32 0.00 0.00 -0.22 0.00 0.00 33.01 32.47 1nsh s GLN 70 CO 0.00 -0.27 0.00 1.28 -0.25 0.00 0.00 175.29 176.05 1nsh n LEU 71 N -0.46 0.00 0.00 2.90 7.99 -1.26 -4.90 117.00 121.27 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 0.66 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.97 1nsh n LEU 71 CO 0.37 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.58 1nsh n ASP 72 N 0.00 0.00 -0.15 -1.43 2.03 -1.26 -4.73 116.55 111.00 1nsh n ASP 72 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 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 -1.22 0.06 -0.67 -5.15 -1.99 -1.80 116.94 106.17 1nsh h PHE 73 Ca 0.00 0.07 -0.24 0.00 -0.20 0.00 0.00 57.97 57.60 1nsh h PHE 73 Cb 0.00 0.60 -0.01 0.00 0.22 0.00 0.00 35.95 36.76 1nsh h PHE 73 CO 0.00 -0.43 -1.09 0.37 -2.00 0.00 0.00 178.31 175.16 1nsh h GLN 74 N -0.29 0.19 -1.42 6.09 5.75 -1.97 -3.21 115.11 120.26 1nsh h GLN 74 Ca 0.16 -0.29 0.42 0.00 -0.15 0.00 0.00 58.65 58.78 1nsh h GLN 74 Cb 0.57 0.10 -0.08 0.00 1.07 0.00 0.00 27.48 29.15 1nsh h GLN 74 CO -0.61 1.10 0.99 1.49 -2.65 0.00 0.00 178.83 179.15 1nsh h GLU 75 N 0.07 0.06 0.00 1.69 4.81 -1.68 1.94 114.58 121.47 1nsh h GLU 75 Ca -0.08 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1nsh h GLU 75 Cb 1.81 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.17 1nsh h GLU 75 CO 0.17 0.04 -0.05 0.74 -0.73 0.00 0.00 179.01 179.18 1nsh h PHE 76 N 0.06 0.00 -0.33 0.92 0.04 -1.43 -2.31 116.94 113.88 1nsh h PHE 76 Ca 0.73 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.48 1nsh h PHE 76 Cb 2.66 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.79 1nsh h PHE 76 CO -0.00 0.54 0.13 -0.07 -0.60 0.00 0.00 178.31 178.30 1nsh h LEU 77 N -1.00 0.42 -0.44 1.54 3.38 -0.88 -0.05 115.31 118.28 1nsh h LEU 77 Ca -0.01 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 1nsh h LEU 77 Cb 0.54 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1nsh h LEU 77 CO -0.01 0.39 -0.61 -1.13 0.09 0.00 0.00 178.44 177.18 1nsh h ASN 78 N 0.47 0.65 0.56 -0.43 -1.24 0.28 1.24 115.58 117.11 1nsh h ASN 78 Ca 0.12 -0.37 -0.03 0.00 0.71 0.00 0.00 56.30 56.73 1nsh h ASN 78 Cb 0.11 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 38.98 1nsh h ASN 78 CO -0.01 1.10 -0.27 -0.07 -1.29 0.00 0.00 177.43 176.89 1nsh h LEU 79 N 0.43 -0.64 -0.06 0.34 4.07 -0.67 -0.24 115.31 118.54 1nsh h LEU 79 Ca -0.00 -0.04 -0.20 0.00 0.08 0.00 0.00 57.88 57.72 1nsh h LEU 79 Cb 1.17 0.17 0.01 0.00 1.08 0.00 0.00 40.66 43.09 1nsh h LEU 79 CO 0.11 -0.28 -0.73 -0.29 -1.08 0.00 0.00 178.44 176.17 1nsh h ILE 80 N -1.04 1.34 -0.36 1.22 -0.00 -1.12 -3.18 117.51 114.36 1nsh h ILE 80 Ca -0.08 -2.03 0.07 0.00 -0.00 0.00 0.00 64.86 62.83 1nsh h ILE 80 Cb 0.64 2.29 -0.07 0.00 -0.00 0.00 0.00 36.82 39.69 1nsh h ILE 80 CO 0.13 0.62 -0.09 1.23 -0.00 0.00 0.00 178.15 180.03 1nsh h GLY 81 N 0.24 0.26 0.23 8.18 0.00 0.15 0.99 103.07 113.12 1nsh h GLY 81 Ca -0.07 0.12 0.20 0.00 0.00 0.00 0.00 47.33 47.57 1nsh h GLY 81 CO 0.15 -0.14 0.61 -1.33 0.00 0.00 0.00 176.54 175.83 1nsh h GLY 82 N 0.00 1.26 0.91 4.60 0.00 -1.07 0.07 103.07 108.84 1nsh h GLY 82 Ca 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1nsh h GLY 82 CO -0.37 -0.02 0.10 1.41 0.00 0.00 0.00 176.54 177.66 1nsh h LEU 83 N 0.57 0.28 -1.92 3.11 3.38 -0.81 -1.49 115.31 118.44 1nsh h LEU 83 Ca 0.52 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.48 1nsh h LEU 83 Cb 1.05 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1nsh h LEU 83 CO -0.26 0.34 0.34 0.00 0.09 0.00 0.00 178.44 178.95 1nsh h ALA 84 N 0.96 2.34 0.00 1.53 0.00 -0.28 0.97 119.26 124.78 1nsh h ALA 84 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nsh h ALA 84 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1nsh h ALA 84 CO -0.01 -0.47 -0.45 0.28 0.00 0.00 0.00 179.25 178.60 1nsh h VAL 85 N 0.09 0.00 -0.13 0.00 2.07 -0.90 0.43 116.25 117.81 1nsh h VAL 85 Ca 0.23 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1nsh h VAL 85 Cb 0.80 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1nsh h VAL 85 CO -0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.57 1nsh n ALA 86 N -1.97 2.18 0.00 1.67 0.00 0.42 -2.72 120.51 120.09 1nsh n ALA 86 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1nsh n ALA 86 Cb 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1nsh n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh s HIS 88 N -1.28 1.83 -0.54 0.00 3.76 0.14 -4.85 115.29 114.35 1nsh s HIS 88 Ca 0.00 0.10 -0.27 0.00 -0.15 0.00 0.00 55.06 54.73 1nsh s HIS 88 Cb 0.00 -3.49 -0.01 0.00 1.11 0.00 0.00 32.58 30.19 1nsh s HIS 88 CO 0.00 -2.04 1.71 -2.00 -0.85 0.00 0.00 174.74 171.55 1nsh s GLU 89 N -5.47 2.98 0.15 1.40 2.12 -1.26 -4.06 118.70 114.56 1nsh s GLU 89 Ca 0.68 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.73 1nsh s GLU 89 Cb -0.06 -4.27 0.00 0.00 0.26 0.00 0.00 34.13 30.07 1nsh s GLU 89 CO 0.48 -2.31 0.00 -1.13 -0.54 0.00 0.00 175.26 171.76 1nsh n SER 90 N 11.25 -1.33 0.00 -1.70 3.41 -1.26 -4.94 113.62 119.05 1nsh n SER 90 Ca 0.18 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1nsh n SER 90 Cb 0.50 1.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.93 1nsh n SER 90 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1nsh n PHE 91 N -2.86 0.00 0.20 7.33 3.72 -1.22 -4.20 117.46 120.43 1nsh n PHE 91 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1nsh n PHE 91 Cb 0.00 0.06 0.33 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.65 0.00 -4.37 3.04 -1.69 -3.15 116.25 110.73 1nsh h VAL 92 Ca 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.26 1nsh h VAL 92 Cb 0.73 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.96 1nsh h VAL 92 CO 0.00 0.29 -1.61 1.17 -1.01 0.00 0.00 177.57 176.42 1nsh n LYS 93 N -3.36 0.67 -0.49 4.17 0.00 -1.26 -4.14 118.16 113.75 1nsh n LYS 93 Ca 0.01 -0.13 0.05 0.00 0.00 0.00 0.00 58.31 58.24 1nsh n LYS 93 Cb 0.52 -1.37 0.25 0.00 0.00 0.00 0.00 35.03 34.43 1nsh n LYS 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nsh n ALA 94 N -1.97 3.14 -2.66 3.14 0.00 -1.21 -4.44 120.51 116.52 1nsh n ALA 94 Ca -0.02 -1.13 -0.03 0.00 0.00 0.00 0.00 53.44 52.26 1nsh n ALA 94 Cb 0.40 -1.05 0.11 0.00 0.00 0.00 0.00 19.45 18.91 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 0.54 -3.39 -0.12 0.00 0.00 -1.19 -4.93 120.51 111.41 1nsh n ALA 95 Ca 0.17 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 1nsh n ALA 95 Cb 0.74 -3.29 0.02 0.00 0.00 0.00 0.00 19.45 16.93 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 2.30 0.38 -0.00 0.00 0.11 -1.78 -2.06 132.00 130.95 1nsh h PRO 96 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1nsh h PRO 96 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1nsh h PRO 96 CO -0.07 0.25 -0.04 -0.35 -0.21 0.00 0.00 178.00 177.59 1nsh n PRO 97 N -4.93 0.87 -3.53 1.05 -0.04 -1.26 -4.54 135.00 122.63 1nsh n PRO 97 Ca 0.02 -0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 62.86 1nsh n PRO 97 Cb 0.10 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.01 1nsh n PRO 97 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1nsh s GLN 98 N -2.26 3.14 -0.30 0.54 1.11 -0.77 -4.92 119.66 116.19 1nsh s GLN 98 Ca 0.37 -2.57 -0.15 0.00 0.01 0.00 0.00 55.36 53.02 1nsh s GLN 98 Cb 0.21 -4.09 0.18 0.00 -1.01 0.00 0.00 33.01 28.30 1nsh s GLN 98 CO 0.42 -1.23 1.14 -1.59 0.01 0.00 0.00 175.29 174.04 1nsh s LYS 99 N -0.09 0.05 0.02 2.91 0.00 -1.26 -4.87 119.74 116.50 1nsh s LYS 99 Ca 0.18 0.05 -0.13 0.00 0.00 0.00 0.00 55.97 56.07 1nsh s LYS 99 Cb -0.15 0.02 0.02 0.00 0.00 0.00 0.00 37.83 37.72 1nsh s LYS 99 CO -0.06 -0.10 0.28 0.50 0.00 0.00 0.00 175.35 175.97 1nsh s ARG 100 N 2.94 0.72 0.00 1.78 3.52 -1.26 -5.18 118.95 121.48 1nsh s ARG 100 Ca 0.31 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 1nsh s ARG 100 Cb 0.00 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 1nsh s ARG 100 CO -0.22 -0.22 0.00 0.34 -0.81 0.00 0.00 175.30 174.39