#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc s LYS 2 N 0.00 2.67 -0.10 4.33 -0.14 -1.26 -4.97 119.74 120.27 3cxc s LYS 2 Ca 0.00 1.52 0.03 0.00 -1.36 0.00 0.00 55.97 56.16 3cxc s LYS 2 Cb 0.00 -1.92 -0.08 0.00 -1.68 0.00 0.00 37.83 34.15 3cxc s LYS 2 CO 0.00 -1.38 -0.05 2.41 -0.76 0.00 0.00 175.35 175.57 3cxc n THR 3 N -2.38 0.59 -1.71 2.17 -1.04 -1.26 -4.95 114.28 105.70 3cxc n THR 3 Ca 0.11 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.05 61.43 3cxc n THR 3 Cb 0.51 -0.84 -0.03 0.00 -1.82 0.00 0.00 70.33 68.15 3cxc n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3cxc s ASN 4 N -4.66 5.88 0.42 8.00 3.84 -1.26 -4.84 114.94 122.32 3cxc s ASN 4 Ca -0.11 2.06 0.11 0.00 0.21 0.00 0.00 52.86 55.13 3cxc s ASN 4 Cb 0.03 -2.52 0.90 0.00 -0.55 0.00 0.00 41.25 39.11 3cxc s ASN 4 CO 0.27 -1.60 1.98 -0.65 -2.79 0.00 0.00 177.10 174.31 3cxc h PRO 5 N 13.13 0.20 0.34 0.43 0.11 -1.99 -1.59 132.00 142.62 3cxc h PRO 5 Ca -0.42 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3cxc h PRO 5 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3cxc h PRO 5 CO 0.96 0.29 -0.16 0.00 -0.21 0.00 0.00 178.00 178.88 3cxc h ARG 6 N 0.20 -0.44 -0.94 1.05 3.08 -1.99 -1.00 114.38 114.34 3cxc h ARG 6 Ca 0.04 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.27 3cxc h ARG 6 Cb 0.26 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.32 3cxc h ARG 6 CO 0.01 -0.11 0.55 1.25 -1.07 0.00 0.00 179.97 180.60 3cxc h LEU 7 N -0.84 0.73 0.59 3.04 5.85 -1.94 0.32 115.31 123.07 3cxc h LEU 7 Ca -0.05 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3cxc h LEU 7 Cb 0.53 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3cxc h LEU 7 CO 0.08 0.32 -0.50 -1.28 -0.34 0.00 0.00 178.44 176.72 3cxc h SER 8 N 0.78 -1.33 -0.42 1.25 0.87 -1.17 -1.74 113.55 111.79 3cxc h SER 8 Ca 0.50 0.10 0.06 0.00 -1.23 0.00 0.00 61.79 61.22 3cxc h SER 8 Cb 0.66 0.42 -0.05 0.00 -0.44 0.00 0.00 62.40 63.00 3cxc h SER 8 CO -0.33 -0.69 0.12 0.28 -0.53 0.00 0.00 176.83 175.68 3cxc h SER 9 N -1.06 0.10 -0.67 6.23 0.02 -0.04 -1.74 113.55 116.39 3cxc h SER 9 Ca -0.08 0.06 0.13 0.00 -0.84 0.00 0.00 61.79 61.06 3cxc h SER 9 Cb 0.89 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 63.39 3cxc h SER 9 CO -0.01 0.09 0.16 0.25 -1.14 0.00 0.00 176.83 176.18 3cxc h LEU 10 N 0.27 0.03 -0.77 5.07 5.85 -0.28 0.21 115.31 125.70 3cxc h LEU 10 Ca 0.20 0.12 0.02 0.00 0.84 0.00 0.00 57.88 59.06 3cxc h LEU 10 Cb 0.21 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3cxc h LEU 10 CO -0.22 0.00 0.50 0.40 -0.34 0.00 0.00 178.44 178.78 3cxc h ILE 11 N 0.28 1.16 -0.83 4.05 2.04 -0.44 0.19 117.51 123.97 3cxc h ILE 11 Ca 0.36 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3cxc h ILE 11 Cb 0.57 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3cxc h ILE 11 CO -0.44 0.18 0.38 0.00 0.00 0.00 0.00 178.15 178.27 3cxc h ALA 12 N 1.30 1.07 0.28 1.87 0.00 -0.65 -1.77 119.26 121.36 3cxc h ALA 12 Ca 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3cxc h ALA 12 Cb -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3cxc h ALA 12 CO -0.08 0.65 -0.14 -0.44 0.00 0.00 0.00 179.25 179.24 3cxc h ASP 13 N 1.19 -0.32 -0.97 0.00 3.32 0.02 -1.41 116.42 118.25 3cxc h ASP 13 Ca 0.28 -0.12 0.27 0.00 0.02 0.00 0.00 57.03 57.48 3cxc h ASP 13 Cb 0.14 0.08 -0.13 0.00 0.22 0.00 0.00 39.33 39.64 3cxc h ASP 13 CO -0.03 -0.06 0.51 -0.07 -1.72 0.00 0.00 179.24 177.87 3cxc h LEU 14 N -0.58 0.49 0.03 1.55 3.38 -0.43 -0.92 115.31 118.82 3cxc h LEU 14 Ca -0.04 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3cxc h LEU 14 Cb 0.42 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3cxc h LEU 14 CO 0.06 -0.03 -0.02 0.11 0.09 0.00 0.00 178.44 178.66 3cxc h LYS 15 N 0.42 -0.04 -1.09 1.13 1.57 -0.94 -2.25 116.57 115.36 3cxc h LYS 15 Ca 0.65 0.00 0.39 0.00 -1.87 0.00 0.00 60.65 59.82 3cxc h LYS 15 Cb 1.34 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 33.54 3cxc h LYS 15 CO -0.55 -0.03 0.69 0.45 -0.57 0.00 0.00 179.45 179.44 3cxc n SER 16 N -2.14 0.19 0.33 0.86 2.88 -0.57 0.89 113.62 116.07 3cxc n SER 16 Ca -0.01 1.19 -0.14 0.00 -1.33 0.00 0.00 58.87 58.59 3cxc n SER 16 Cb 0.02 -0.58 -0.06 0.00 -0.75 0.00 0.00 64.21 62.83 3cxc n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cxc h ALA 17 N 1.38 -0.90 -0.88 -1.46 0.00 -1.12 -1.73 119.26 114.56 3cxc h ALA 17 Ca 0.73 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.62 3cxc h ALA 17 Cb 2.27 0.34 -0.11 0.00 0.00 0.00 0.00 17.79 20.30 3cxc h ALA 17 CO -0.43 -0.83 0.43 0.00 0.00 0.00 0.00 179.25 178.41 3cxc h ALA 18 N -1.26 1.37 0.67 0.00 0.00 0.11 0.07 119.26 120.23 3cxc h ALA 18 Ca -0.09 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3cxc h ALA 18 Cb 0.68 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.53 3cxc h ALA 18 CO 0.15 -0.20 -0.32 0.00 0.00 0.00 0.00 179.25 178.87 3cxc h ARG 19 N 0.53 -0.87 0.00 0.00 3.08 -1.16 -3.33 114.38 112.63 3cxc h ARG 19 Ca 0.51 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.62 3cxc h ARG 19 Cb 0.85 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3cxc h ARG 19 CO -0.44 -0.58 0.00 0.43 -1.07 0.00 0.00 179.97 178.31 3cxc n SER 20 N -5.37 0.00 -4.46 7.04 7.64 -0.65 -4.75 113.62 113.06 3cxc n SER 20 Ca -0.11 0.56 -0.28 0.00 1.01 0.00 0.00 58.87 60.05 3cxc n SER 20 Cb 0.36 -0.06 0.26 0.00 -1.01 0.00 0.00 64.21 63.76 3cxc n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3cxc s SER 21 N -2.02 0.70 -0.03 6.43 0.01 -0.01 -4.85 113.70 113.93 3cxc s SER 21 Ca 0.00 1.50 0.02 0.00 1.31 0.00 0.00 55.95 58.78 3cxc s SER 21 Cb 0.00 -2.32 0.10 0.00 0.21 0.00 0.00 66.02 64.01 3cxc s SER 21 CO 0.00 -4.37 0.66 0.61 0.41 0.00 0.00 173.24 170.54 3cxc n GLY 22 N 0.96 1.66 3.77 3.44 0.00 -1.26 -4.58 105.19 109.18 3cxc n GLY 22 Ca 0.02 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3cxc n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cxc s GLY 23 N -0.10 2.88 0.00 -0.02 0.00 -1.25 -4.92 107.32 103.91 3cxc s GLY 23 Ca 0.07 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.88 3cxc s GLY 23 CO 0.02 1.63 0.00 0.00 0.00 0.00 0.00 173.10 174.75 3cxc n ALA 24 N -0.06 1.97 -0.15 3.20 0.00 -1.26 -4.45 120.51 119.76 3cxc n ALA 24 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.51 3cxc n ALA 24 Cb 0.45 0.38 0.31 0.00 0.00 0.00 0.00 19.45 20.60 3cxc n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3cxc h VAL 25 N 0.00 1.14 -0.50 0.00 -1.51 -1.92 0.12 116.25 113.58 3cxc h VAL 25 Ca 0.00 -0.29 -0.07 0.00 -1.23 0.00 0.00 66.70 65.11 3cxc h VAL 25 Cb 0.91 0.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.27 3cxc h VAL 25 CO 0.00 0.15 0.04 -0.50 -1.23 0.00 0.00 177.57 176.03 3cxc h TRP 26 N 0.84 0.86 -0.01 5.19 -0.00 -1.85 0.86 115.95 121.84 3cxc h TRP 26 Ca 0.25 -0.11 -0.16 0.00 -0.00 0.00 0.00 58.89 58.86 3cxc h TRP 26 Cb -0.04 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 28.86 3cxc h TRP 26 CO -0.00 0.78 -0.73 0.78 -0.00 0.00 0.00 178.44 179.26 3cxc h GLY 27 N 0.98 0.12 0.58 1.49 0.00 -1.50 -0.90 103.07 103.84 3cxc h GLY 27 Ca 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3cxc h GLY 27 CO 0.01 0.16 -0.01 -1.80 0.00 0.00 0.00 176.54 174.91 3cxc h ASP 28 N 0.07 -0.02 -0.61 0.19 3.58 0.17 -2.35 116.42 117.45 3cxc h ASP 28 Ca -0.02 -0.41 -0.03 0.00 0.42 0.00 0.00 57.03 56.99 3cxc h ASP 28 Cb 1.30 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.32 3cxc h ASP 28 CO 0.10 0.40 0.27 0.58 -2.88 0.00 0.00 179.24 177.72 3cxc h VAL 29 N -0.44 1.22 -0.91 2.25 2.07 0.71 -2.24 116.25 118.91 3cxc h VAL 29 Ca -0.00 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.91 3cxc h VAL 29 Cb 0.43 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3cxc h VAL 29 CO 0.00 0.27 0.58 0.00 0.02 0.00 0.00 177.57 178.44 3cxc h ALA 30 N 1.38 1.23 -0.09 1.67 0.00 -1.02 -1.08 119.26 121.36 3cxc h ALA 30 Ca 0.22 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 3cxc h ALA 30 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3cxc h ALA 30 CO -0.02 0.37 -0.68 0.93 0.00 0.00 0.00 179.25 179.84 3cxc h GLU 31 N 1.07 0.39 -0.04 0.00 5.08 -0.86 -1.73 114.58 118.48 3cxc h GLU 31 Ca 0.38 -0.30 -0.17 0.00 -1.00 0.00 0.00 59.36 58.28 3cxc h GLU 31 Cb 0.12 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3cxc h GLU 31 CO -0.16 0.93 -0.72 -0.09 -1.00 0.00 0.00 179.01 177.98 3cxc h ARG 32 N 0.27 0.23 -0.02 2.33 9.65 -1.11 -2.88 114.38 122.85 3cxc h ARG 32 Ca -0.02 -0.19 -0.12 0.00 -1.10 0.00 0.00 59.98 58.55 3cxc h ARG 32 Cb 1.24 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.85 3cxc h ARG 32 CO 0.12 0.85 -0.55 -0.07 2.80 0.00 0.00 179.97 183.11 3cxc h LEU 33 N 0.15 0.05 -1.29 3.80 3.38 -1.11 -2.24 115.31 118.05 3cxc h LEU 33 Ca -0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3cxc h LEU 33 Cb 1.27 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3cxc h LEU 33 CO 0.11 0.59 -0.13 -0.33 0.09 0.00 0.00 178.44 178.78 3cxc h GLU 34 N 0.03 0.00 -7.35 1.13 5.08 -1.15 -3.44 114.58 108.89 3cxc h GLU 34 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.86 3cxc h GLU 34 Cb 0.99 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.37 3cxc h GLU 34 CO 0.07 0.13 0.30 0.15 -1.00 0.00 0.00 179.01 178.66 3cxc s LYS 35 N -3.69 1.85 0.37 2.33 1.02 -0.84 -4.95 119.74 115.83 3cxc s LYS 35 Ca 0.01 0.85 -0.25 0.00 0.02 0.00 0.00 55.97 56.60 3cxc s LYS 35 Cb 0.10 -1.87 -0.12 0.00 -0.52 0.00 0.00 37.83 35.41 3cxc s LYS 35 CO 0.60 -1.84 0.86 -2.30 -0.92 0.00 0.00 175.35 171.75 3cxc n PRO 36 N -3.61 1.06 -0.31 -1.68 -0.02 -1.26 -4.84 135.00 124.34 3cxc n PRO 36 Ca 0.07 0.38 0.16 0.00 -2.02 0.00 0.00 63.50 62.09 3cxc n PRO 36 Cb 0.55 -1.78 0.41 0.00 -0.02 0.00 0.00 33.50 32.66 3cxc n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cxc h ARG 37 N 1.44 0.59 -0.05 -0.52 3.08 -1.92 -1.38 114.38 115.61 3cxc h ARG 37 Ca -0.41 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.62 3cxc h ARG 37 Cb 1.36 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 3cxc h ARG 37 CO 0.56 0.39 0.05 0.07 -1.07 0.00 0.00 179.97 179.97 3cxc h ARG 38 N 0.61 0.00 0.00 0.04 0.11 -2.00 -0.19 114.38 112.95 3cxc h ARG 38 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 3cxc h ARG 38 Cb 1.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.11 3cxc h ARG 38 CO -0.28 0.00 -0.43 0.25 0.10 0.00 0.00 179.97 179.61 3cxc n THR 39 N -4.12 0.17 -0.63 0.08 -2.24 -0.53 -4.90 114.28 102.12 3cxc n THR 39 Ca -0.02 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 3cxc n THR 39 Cb 0.14 -0.07 0.23 0.00 -2.10 0.00 0.00 70.33 68.53 3cxc n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3cxc s HIS 40 N -3.07 1.47 0.12 4.78 3.76 -0.09 -4.96 115.29 117.31 3cxc s HIS 40 Ca 0.10 1.33 -0.24 0.00 -0.15 0.00 0.00 55.06 56.09 3cxc s HIS 40 Cb 0.16 -3.16 -0.07 0.00 1.11 0.00 0.00 32.58 30.62 3cxc s HIS 40 CO 0.67 -3.54 0.74 0.00 -0.85 0.00 0.00 174.74 171.76 3cxc s ALA 41 N -2.54 3.45 -0.38 -1.40 0.00 -1.17 -4.97 121.76 114.75 3cxc s ALA 41 Ca 0.68 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.94 3cxc s ALA 41 Cb -0.24 -2.92 0.12 0.00 0.00 0.00 0.00 23.12 20.08 3cxc s ALA 41 CO 0.63 0.25 0.17 -1.21 0.00 0.00 0.00 175.76 175.59 3cxc s GLU 42 N -0.86 1.06 -0.12 0.00 2.02 -1.26 0.17 118.70 119.72 3cxc s GLU 42 Ca 0.35 -1.62 0.01 0.00 0.02 0.00 0.00 54.97 53.74 3cxc s GLU 42 Cb -0.22 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 3cxc s GLU 42 CO 0.24 -1.08 -0.15 0.08 0.02 0.00 0.00 175.26 174.37 3cxc s VAL 43 N 0.91 2.86 0.35 2.63 1.01 -0.66 -4.94 120.40 122.55 3cxc s VAL 43 Ca 0.14 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 3cxc s VAL 43 Cb -0.21 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3cxc s VAL 43 CO -0.10 0.53 0.59 0.20 0.00 0.00 0.00 175.10 176.32 3cxc s ASN 44 N 0.29 6.35 0.39 3.32 0.01 -1.26 0.10 114.94 124.14 3cxc s ASN 44 Ca -0.11 0.62 0.16 0.00 -0.71 0.00 0.00 52.86 52.82 3cxc s ASN 44 Cb -0.16 -2.11 1.03 0.00 0.41 0.00 0.00 41.25 40.43 3cxc s ASN 44 CO 0.06 -0.30 1.81 -0.07 -1.51 0.00 0.00 177.10 177.09 3cxc h LEU 45 N 1.02 0.49 -0.66 0.60 3.38 -0.78 -2.19 115.31 117.17 3cxc h LEU 45 Ca -0.48 0.07 0.14 0.00 0.09 0.00 0.00 57.88 57.69 3cxc h LEU 45 Cb 1.21 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.82 3cxc h LEU 45 CO 0.63 0.15 -0.09 1.23 0.09 0.00 0.00 178.44 180.45 3cxc h GLY 46 N 0.46 0.59 0.55 0.83 0.00 -1.63 -0.83 103.07 103.05 3cxc h GLY 46 Ca 0.54 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 48.03 3cxc h GLY 46 CO -0.26 -0.25 -0.01 -0.09 0.00 0.00 0.00 176.54 175.93 3cxc h ARG 47 N 0.04 -0.02 -0.60 4.80 2.43 -1.71 -2.84 114.38 116.48 3cxc h ARG 47 Ca 0.34 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.63 3cxc h ARG 47 Cb 0.54 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.99 3cxc h ARG 47 CO -0.64 0.41 -0.04 0.82 -1.51 0.00 0.00 179.97 179.02 3cxc h ILE 48 N -0.47 0.48 -0.55 1.20 2.04 -1.42 0.22 117.51 119.01 3cxc h ILE 48 Ca -0.00 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.90 3cxc h ILE 48 Cb 0.45 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3cxc h ILE 48 CO 0.00 0.02 0.37 -0.08 0.00 0.00 0.00 178.15 178.46 3cxc h GLU 49 N 0.08 0.45 -0.01 2.37 4.57 -1.17 -0.92 114.58 119.95 3cxc h GLU 49 Ca 0.31 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 58.29 3cxc h GLU 49 Cb 0.49 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 3cxc h GLU 49 CO -0.54 0.30 -0.75 -0.09 -1.18 0.00 0.00 179.01 176.75 3cxc h ARG 50 N 0.46 0.09 0.00 1.92 2.43 -0.31 -3.37 114.38 115.60 3cxc h ARG 50 Ca 0.24 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3cxc h ARG 50 Cb 0.36 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3cxc h ARG 50 CO -0.07 0.79 0.00 0.66 -1.51 0.00 0.00 179.97 179.85 3cxc n TYR 51 N -3.70 0.00 -2.37 2.20 4.02 -1.02 -5.05 117.16 111.24 3cxc n TYR 51 Ca -0.02 -0.18 -0.25 0.00 -0.01 0.00 0.00 57.90 57.44 3cxc n TYR 51 Cb 0.72 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 40.07 3cxc n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3cxc s ALA 52 N -0.36 3.37 -0.20 -0.72 0.00 -0.37 -5.09 121.76 118.39 3cxc s ALA 52 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 3cxc s ALA 52 Cb 0.00 -2.47 0.05 0.00 0.00 0.00 0.00 23.12 20.71 3cxc s ALA 52 CO 0.00 -1.04 0.53 1.14 0.00 0.00 0.00 175.76 176.39 3cxc s GLN 53 N -5.06 0.61 0.56 0.00 -2.07 -1.26 -5.00 119.66 107.44 3cxc s GLN 53 Ca 0.58 0.75 -0.19 0.00 -1.82 0.00 0.00 55.36 54.67 3cxc s GLN 53 Cb -0.11 0.29 -0.07 0.00 -1.09 0.00 0.00 33.01 32.03 3cxc s GLN 53 CO 0.43 -0.08 0.83 0.39 -1.32 0.00 0.00 175.29 175.55 3cxc n GLU 54 N 2.87 0.85 -1.96 9.60 1.02 -1.26 -2.50 120.64 129.25 3cxc n GLU 54 Ca -0.14 0.32 -0.14 0.00 -0.02 0.00 0.00 57.16 57.18 3cxc n GLU 54 Cb 0.56 -1.99 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 3cxc n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3cxc n ASP 55 N -0.15 -4.48 -3.46 1.62 8.00 -1.26 -4.97 116.55 111.86 3cxc n ASP 55 Ca 0.12 0.12 -0.24 0.00 0.71 0.00 0.00 54.79 55.50 3cxc n ASP 55 Cb 0.46 -3.49 -0.12 0.00 -0.02 0.00 0.00 41.12 37.95 3cxc n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3cxc s GLU 56 N -4.16 0.34 -0.04 -1.24 2.12 -1.04 -4.96 118.70 109.72 3cxc s GLU 56 Ca 0.00 -0.58 -0.36 0.00 0.36 0.00 0.00 54.97 54.39 3cxc s GLU 56 Cb 0.00 -0.98 -0.14 0.00 0.26 0.00 0.00 34.13 33.27 3cxc s GLU 56 CO 0.00 -1.08 1.66 2.41 -0.54 0.00 0.00 175.26 177.72 3cxc n THR 57 N 4.95 0.25 -3.00 -1.70 -1.04 -0.99 -4.60 114.28 108.17 3cxc n THR 57 Ca 0.00 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 3cxc n THR 57 Cb 0.43 -1.41 -0.05 0.00 -1.82 0.00 0.00 70.33 67.48 3cxc n THR 57 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3cxc s VAL 58 N 2.43 4.90 -0.25 12.58 1.01 0.68 -0.70 120.40 141.04 3cxc s VAL 58 Ca 0.89 1.32 -0.08 0.00 0.00 0.00 0.00 61.98 64.11 3cxc s VAL 58 Cb -0.84 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 31.47 3cxc s VAL 58 CO 0.51 -0.05 0.10 -0.69 0.00 0.00 0.00 175.10 174.97 3cxc s VAL 59 N 2.70 4.59 -0.28 2.92 1.01 0.55 0.23 120.40 132.12 3cxc s VAL 59 Ca 0.31 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 3cxc s VAL 59 Cb -0.15 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.09 3cxc s VAL 59 CO 0.08 0.32 0.03 -0.69 0.00 0.00 0.00 175.10 174.85 3cxc s VAL 60 N 1.59 3.56 -0.01 2.92 1.01 0.30 -0.84 120.40 128.94 3cxc s VAL 60 Ca 0.06 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3cxc s VAL 60 Cb -0.15 -2.84 -0.18 0.00 0.00 0.00 0.00 36.38 33.20 3cxc s VAL 60 CO 0.05 0.11 3.12 -0.81 0.00 0.00 0.00 175.10 177.57 3cxc n PRO 61 N 4.79 1.70 0.00 2.72 -0.04 -1.26 -3.85 135.00 139.06 3cxc n PRO 61 Ca -0.15 -0.71 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 3cxc n PRO 61 Cb 0.47 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3cxc n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cxc n GLY 62 N 2.17 1.97 3.18 0.55 0.00 -1.26 -3.04 105.19 108.75 3cxc n GLY 62 Ca 0.30 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 46.24 3cxc n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cxc s LYS 63 N 4.09 1.19 -0.16 1.61 2.20 0.13 -1.42 119.74 127.36 3cxc s LYS 63 Ca 0.00 -0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 54.75 3cxc s LYS 63 Cb 0.00 -1.22 -0.04 0.00 -1.51 0.00 0.00 37.83 35.05 3cxc s LYS 63 CO 0.00 0.31 0.11 0.08 -0.36 0.00 0.00 175.35 175.50 3cxc s VAL 64 N -0.71 5.27 0.23 4.02 1.01 -0.29 -1.65 120.40 128.29 3cxc s VAL 64 Ca 0.05 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.25 3cxc s VAL 64 Cb -0.08 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3cxc s VAL 64 CO 0.01 0.51 -0.04 -0.76 0.00 0.00 0.00 175.10 174.82 3cxc s LEU 65 N -0.15 3.12 -0.12 3.92 1.43 0.28 -1.25 118.68 125.91 3cxc s LEU 65 Ca 0.10 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3cxc s LEU 65 Cb -0.12 -1.70 0.25 0.00 0.03 0.00 0.00 46.19 44.65 3cxc s LEU 65 CO 0.00 0.04 1.14 0.61 0.23 0.00 0.00 176.35 178.38 3cxc n GLY 66 N -0.53 2.47 3.75 -3.19 0.00 -1.26 -2.06 105.19 104.38 3cxc n GLY 66 Ca -0.08 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 3cxc n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cxc s SER 67 N 0.01 7.10 0.00 1.61 0.01 -1.26 -4.80 113.70 116.37 3cxc s SER 67 Ca 0.19 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.76 3cxc s SER 67 Cb 0.15 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.96 3cxc s SER 67 CO 0.04 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.36 3cxc n GLY 68 N 2.43 -2.90 3.32 3.44 0.00 -1.26 -1.85 105.19 108.38 3cxc n GLY 68 Ca -0.04 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 3cxc n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cxc s VAL 69 N -0.53 2.33 -0.16 1.61 1.01 -1.26 -4.65 120.40 118.74 3cxc s VAL 69 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3cxc s VAL 69 Cb 0.00 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.54 3cxc s VAL 69 CO 0.00 0.57 -0.16 -0.22 0.00 0.00 0.00 175.10 175.30 3cxc s LEU 70 N -0.29 1.87 -0.17 3.92 2.96 -1.26 -4.50 118.68 121.21 3cxc s LEU 70 Ca 0.01 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 3cxc s LEU 70 Cb -0.13 -1.27 -0.12 0.00 0.50 0.00 0.00 46.19 45.17 3cxc s LEU 70 CO 0.03 -0.05 -0.15 0.00 -1.32 0.00 0.00 176.35 174.86 3cxc n GLN 71 N 4.72 0.48 -1.63 1.98 6.02 -1.26 -4.82 117.38 122.87 3cxc n GLN 71 Ca -0.18 0.10 -0.43 0.00 -0.01 0.00 0.00 57.00 56.48 3cxc n GLN 71 Cb 0.50 -1.35 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 3cxc n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3cxc n LYS 72 N -2.99 1.64 -2.83 -1.09 5.02 -1.26 -4.87 118.16 111.78 3cxc n LYS 72 Ca -0.30 0.58 -0.44 0.00 -2.02 0.00 0.00 58.31 56.13 3cxc n LYS 72 Cb 0.83 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3cxc n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3cxc n ASP 73 N 0.88 5.14 -4.50 4.39 2.03 -1.22 -4.52 116.55 118.75 3cxc n ASP 73 Ca 0.08 -2.97 -0.30 0.00 0.52 0.00 0.00 54.79 52.12 3cxc n ASP 73 Cb 0.35 -1.61 -0.11 0.00 -0.72 0.00 0.00 41.12 39.03 3cxc n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3cxc s VAL 74 N 2.19 2.91 -0.21 5.18 -7.23 -1.26 -4.67 120.40 117.32 3cxc s VAL 74 Ca 0.46 -1.42 -0.19 0.00 -1.81 0.00 0.00 61.98 59.02 3cxc s VAL 74 Cb -0.01 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 3cxc s VAL 74 CO 0.02 0.14 0.54 -0.89 -0.31 0.00 0.00 175.10 174.60 3cxc s THR 75 N -1.12 5.08 -0.12 5.32 2.01 -1.26 -2.24 115.64 123.31 3cxc s THR 75 Ca 0.18 0.99 -0.02 0.00 0.31 0.00 0.00 61.69 63.15 3cxc s THR 75 Cb -0.11 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 3cxc s THR 75 CO 0.10 0.15 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.43 3cxc s VAL 76 N 1.80 3.75 -0.18 3.82 1.01 -0.13 -0.23 120.40 130.24 3cxc s VAL 76 Ca 0.24 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3cxc s VAL 76 Cb -0.15 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.65 3cxc s VAL 76 CO 0.10 0.53 -0.20 0.00 0.00 0.00 0.00 175.10 175.53 3cxc s ALA 77 N -0.04 2.34 0.15 5.51 0.00 0.14 -0.32 121.76 129.53 3cxc s ALA 77 Ca 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 3cxc s ALA 77 Cb -0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 3cxc s ALA 77 CO 0.03 -0.33 0.08 0.00 0.00 0.00 0.00 175.76 175.54 3cxc s ALA 78 N 1.26 0.93 0.22 0.00 0.00 -0.94 -0.54 121.76 122.70 3cxc s ALA 78 Ca 0.04 -1.53 -0.06 0.00 0.00 0.00 0.00 51.96 50.41 3cxc s ALA 78 Cb -0.13 1.01 0.19 0.00 0.00 0.00 0.00 23.12 24.19 3cxc s ALA 78 CO -0.12 -0.52 1.74 0.28 0.00 0.00 0.00 175.76 177.15 3cxc h VAL 79 N 2.79 1.26 -2.29 0.00 2.07 -1.35 -2.62 116.25 116.11 3cxc h VAL 79 Ca -0.35 -0.95 0.07 0.00 0.82 0.00 0.00 66.70 66.28 3cxc h VAL 79 Cb 1.21 0.57 -0.16 0.00 -1.52 0.00 0.00 31.29 31.40 3cxc h VAL 79 CO 0.57 0.36 0.42 -0.62 0.02 0.00 0.00 177.57 178.33 3cxc s ASP 80 N -6.49 -0.43 0.06 0.57 2.15 -1.17 -4.80 116.67 106.56 3cxc s ASP 80 Ca -0.11 0.12 0.07 0.00 0.43 0.00 0.00 52.55 53.06 3cxc s ASP 80 Cb 0.15 0.43 -0.03 0.00 -0.30 0.00 0.00 42.92 43.17 3cxc s ASP 80 CO 0.84 -0.65 -0.20 -0.36 -0.17 0.00 0.00 175.17 174.63 3cxc s PHE 81 N -2.79 1.76 0.84 -5.34 0.40 -1.26 -1.14 117.98 110.46 3cxc s PHE 81 Ca 0.02 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.85 3cxc s PHE 81 Cb -0.01 -1.02 0.10 0.00 0.51 0.00 0.00 43.02 42.60 3cxc s PHE 81 CO -0.07 0.13 1.10 -1.54 0.70 0.00 0.00 175.22 175.54 3cxc s SER 82 N -1.44 3.84 0.16 1.36 1.04 -0.38 -4.78 113.70 113.50 3cxc s SER 82 Ca 0.07 1.74 -0.15 0.00 0.48 0.00 0.00 55.95 58.09 3cxc s SER 82 Cb -0.09 -2.40 0.04 0.00 0.10 0.00 0.00 66.02 63.67 3cxc s SER 82 CO 0.03 -2.44 1.81 1.23 0.98 0.00 0.00 173.24 174.84 3cxc h GLY 83 N -1.41 0.69 1.09 7.32 0.00 -2.00 -1.72 103.07 107.04 3cxc h GLY 83 Ca -0.46 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 3cxc h GLY 83 CO 0.51 0.27 0.37 -0.84 0.00 0.00 0.00 176.54 176.85 3cxc h THR 84 N 0.64 1.25 0.13 4.70 2.02 -1.96 -1.66 112.91 118.03 3cxc h THR 84 Ca 0.17 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3cxc h THR 84 Cb -0.03 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3cxc h THR 84 CO -0.03 0.31 -0.06 0.00 0.37 0.00 0.00 175.52 176.11 3cxc h ALA 85 N 1.25 -0.17 -0.37 6.16 0.00 -1.76 -0.35 119.26 124.02 3cxc h ALA 85 Ca 0.27 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3cxc h ALA 85 Cb 0.14 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3cxc h ALA 85 CO -0.03 -0.57 0.16 1.49 0.00 0.00 0.00 179.25 180.30 3cxc h GLU 86 N -0.22 0.33 0.60 0.00 4.81 -1.16 0.06 114.58 119.00 3cxc h GLU 86 Ca -0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3cxc h GLU 86 Cb 0.17 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3cxc h GLU 86 CO 0.03 0.22 -0.32 1.15 -0.73 0.00 0.00 179.01 179.35 3cxc h THR 87 N 0.34 0.34 -0.46 0.32 2.02 -1.16 -0.97 112.91 113.34 3cxc h THR 87 Ca 0.16 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.38 3cxc h THR 87 Cb 0.10 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3cxc h THR 87 CO -0.13 0.00 0.30 0.11 0.37 0.00 0.00 175.52 176.17 3cxc h LYS 88 N -0.85 0.45 -0.01 6.66 1.57 -0.88 -3.03 116.57 120.48 3cxc h LYS 88 Ca -0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3cxc h LYS 88 Cb 0.67 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3cxc h LYS 88 CO 0.11 0.30 -0.04 0.82 -0.57 0.00 0.00 179.45 180.07 3cxc h ILE 89 N 0.47 1.51 0.00 1.86 2.04 -0.68 -2.98 117.51 119.72 3cxc h ILE 89 Ca 0.19 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.51 3cxc h ILE 89 Cb 0.17 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 3cxc h ILE 89 CO -0.05 0.41 0.03 0.47 0.00 0.00 0.00 178.15 179.01 3cxc n ASP 90 N -4.74 0.03 0.16 1.72 8.00 -0.39 -0.08 116.55 121.24 3cxc n ASP 90 Ca -0.09 0.49 0.04 0.00 0.71 0.00 0.00 54.79 55.94 3cxc n ASP 90 Cb 0.34 -0.49 0.12 0.00 -0.02 0.00 0.00 41.12 41.07 3cxc n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3cxc h GLN 91 N 0.00 0.00 0.00 -1.24 4.20 -1.41 -3.37 115.11 113.29 3cxc h GLN 91 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3cxc h GLN 91 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3cxc h GLN 91 CO 0.00 0.43 0.00 1.33 -0.67 0.00 0.00 178.83 179.92 3cxc n VAL 92 N -3.27 0.00 0.00 -0.54 0.24 -0.06 -5.10 118.33 109.60 3cxc n VAL 92 Ca 0.02 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3cxc n VAL 92 Cb 0.66 1.42 0.00 0.00 -1.47 0.00 0.00 33.84 34.46 3cxc n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cxc n GLY 93 N 0.12 3.28 3.16 7.63 0.00 0.88 -3.43 105.19 116.84 3cxc n GLY 93 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3cxc n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cxc s GLU 94 N 4.30 0.30 -0.09 1.61 2.12 -0.95 -4.38 118.70 121.61 3cxc s GLU 94 Ca 0.00 0.60 -0.14 0.00 0.36 0.00 0.00 54.97 55.80 3cxc s GLU 94 Cb 0.00 -0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.31 3cxc s GLU 94 CO 0.00 -0.14 0.33 0.00 -0.54 0.00 0.00 175.26 174.91 3cxc s ALA 95 N 1.10 3.67 -0.04 6.30 0.00 -1.26 -0.95 121.76 130.57 3cxc s ALA 95 Ca -0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 3cxc s ALA 95 Cb -0.08 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.70 3cxc s ALA 95 CO -0.08 0.31 0.10 0.08 0.00 0.00 0.00 175.76 176.17 3cxc s VAL 96 N -0.34 -0.01 0.39 0.00 1.01 0.57 -4.93 120.40 117.09 3cxc s VAL 96 Ca 0.20 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 3cxc s VAL 96 Cb -0.14 -0.15 -0.09 0.00 0.00 0.00 0.00 36.38 36.00 3cxc s VAL 96 CO 0.08 0.01 1.13 -0.94 0.00 0.00 0.00 175.10 175.38 3cxc s SER 97 N 0.17 6.67 0.37 3.32 1.04 -1.26 -2.20 113.70 121.80 3cxc s SER 97 Ca -0.01 2.26 0.10 0.00 0.48 0.00 0.00 55.95 58.78 3cxc s SER 97 Cb -0.02 -2.61 0.86 0.00 0.10 0.00 0.00 66.02 64.36 3cxc s SER 97 CO -0.00 -0.57 1.88 -0.07 0.98 0.00 0.00 173.24 175.46 3cxc h LEU 98 N 2.74 0.60 -1.73 2.42 4.07 -1.78 0.27 115.31 121.90 3cxc h LEU 98 Ca -0.48 0.04 0.13 0.00 0.08 0.00 0.00 57.88 57.64 3cxc h LEU 98 Cb 1.23 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.85 3cxc h LEU 98 CO 0.63 0.31 0.42 -0.33 -1.08 0.00 0.00 178.44 178.39 3cxc h GLU 99 N 0.64 0.28 0.02 1.13 3.07 -1.90 0.12 114.58 117.93 3cxc h GLU 99 Ca 0.43 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.23 3cxc h GLU 99 Cb 0.74 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 3cxc h GLU 99 CO -0.19 0.18 -0.17 1.96 -1.40 0.00 0.00 179.01 179.39 3cxc h GLN 100 N 0.29 0.08 -0.23 2.33 4.20 -0.86 -3.18 115.11 117.73 3cxc h GLN 100 Ca 0.29 -0.11 0.06 0.00 0.06 0.00 0.00 58.65 58.95 3cxc h GLN 100 Cb 0.77 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.52 3cxc h GLN 100 CO -0.07 0.99 -0.23 0.00 -0.67 0.00 0.00 178.83 178.84 3cxc h ALA 101 N 0.10 -0.12 -1.12 3.87 0.00 -0.72 0.25 119.26 121.53 3cxc h ALA 101 Ca -0.03 0.07 0.32 0.00 0.00 0.00 0.00 54.91 55.27 3cxc h ALA 101 Cb 1.06 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 3cxc h ALA 101 CO 0.03 -0.66 0.78 0.82 0.00 0.00 0.00 179.25 180.22 3cxc h ILE 102 N -0.24 0.45 0.04 0.00 2.04 -0.90 0.22 117.51 119.11 3cxc h ILE 102 Ca 0.13 -0.04 -0.15 0.00 1.00 0.00 0.00 64.86 65.81 3cxc h ILE 102 Cb 0.45 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3cxc h ILE 102 CO -0.38 0.02 -0.75 -0.08 0.00 0.00 0.00 178.15 176.96 3cxc h GLU 103 N 0.11 0.08 0.00 2.37 4.81 -0.62 -2.93 114.58 118.40 3cxc h GLU 103 Ca 0.56 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3cxc h GLU 103 Cb 2.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.44 3cxc h GLU 103 CO -0.09 1.07 0.00 0.09 -0.73 0.00 0.00 179.01 179.35 3cxc n ASN 104 N -4.36 0.00 -2.77 1.04 3.02 0.35 -4.16 115.26 108.38 3cxc n ASN 104 Ca -0.20 0.44 -0.09 0.00 -0.03 0.00 0.00 54.58 54.70 3cxc n ASN 104 Cb 0.67 -0.47 0.05 0.00 -0.61 0.00 0.00 39.78 39.41 3cxc n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3cxc n ASN 105 N -1.47 -2.75 0.01 6.41 5.15 0.68 -4.99 115.26 118.30 3cxc n ASN 105 Ca 0.05 -3.30 0.05 0.00 -0.60 0.00 0.00 54.58 50.78 3cxc n ASN 105 Cb 0.20 1.74 0.21 0.00 -0.53 0.00 0.00 39.78 41.40 3cxc n ASN 105 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3cxc n PRO 106 N 1.58 0.02 0.00 1.20 -0.04 -1.11 -1.14 135.00 135.51 3cxc n PRO 106 Ca 0.09 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.06 3cxc n PRO 106 Cb 0.63 -1.54 0.49 0.00 -0.04 0.00 0.00 33.50 33.04 3cxc n PRO 106 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3cxc n GLU 107 N -1.57 1.12 -3.89 0.54 4.71 -1.26 -3.90 120.64 116.39 3cxc n GLU 107 Ca 0.02 -0.60 -0.40 0.00 -0.01 0.00 0.00 57.16 56.17 3cxc n GLU 107 Cb 0.10 -1.49 0.03 0.00 -1.01 0.00 0.00 31.44 29.08 3cxc n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3cxc n GLY 108 N 1.26 -0.92 3.63 0.62 0.00 -0.29 -3.80 105.19 105.68 3cxc n GLY 108 Ca 0.15 0.40 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 3cxc n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cxc s SER 109 N -3.49 4.71 -1.31 1.61 1.04 -1.26 -4.68 113.70 110.32 3cxc s SER 109 Ca 0.48 -0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.65 3cxc s SER 109 Cb -0.22 -1.04 0.01 0.00 0.10 0.00 0.00 66.02 64.86 3cxc s SER 109 CO 0.92 0.20 0.79 1.41 0.98 0.00 0.00 173.24 177.55 3cxc n HIS 110 N 0.86 -2.03 -5.00 5.02 8.25 -1.26 -4.86 115.22 116.19 3cxc n HIS 110 Ca -0.13 0.87 -0.27 0.00 -0.26 0.00 0.00 57.72 57.93 3cxc n HIS 110 Cb 0.52 -4.52 -0.16 0.00 1.12 0.00 0.00 29.99 26.96 3cxc n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3cxc s VAL 111 N -3.57 1.62 -0.21 1.59 0.11 -1.26 -2.34 120.40 116.33 3cxc s VAL 111 Ca 0.07 -0.87 -0.04 0.00 -2.93 0.00 0.00 61.98 58.21 3cxc s VAL 111 Cb -0.04 -1.35 -0.01 0.00 -1.53 0.00 0.00 36.38 33.45 3cxc s VAL 111 CO 0.80 0.46 -0.03 -0.60 -3.33 0.00 0.00 175.10 172.39 3cxc s ARG 112 N -0.45 3.43 -0.24 1.54 6.06 0.12 -4.95 118.95 124.46 3cxc s ARG 112 Ca 0.07 -0.60 -0.24 0.00 -2.50 0.00 0.00 55.73 52.46 3cxc s ARG 112 Cb -0.08 -3.02 -0.01 0.00 0.06 0.00 0.00 34.95 31.90 3cxc s ARG 112 CO -0.01 -0.14 0.79 0.08 -2.50 0.00 0.00 175.30 173.52 3cxc s VAL 113 N 1.36 4.87 -0.05 7.11 1.01 -1.26 -0.33 120.40 133.11 3cxc s VAL 113 Ca 0.04 1.48 0.06 0.00 0.00 0.00 0.00 61.98 63.57 3cxc s VAL 113 Cb -0.14 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 3cxc s VAL 113 CO -0.02 -0.04 -0.25 -0.63 0.00 0.00 0.00 175.10 174.16 3cxc s ILE 114 N 2.70 2.03 0.00 2.22 -1.09 -0.02 -4.94 121.20 122.10 3cxc s ILE 114 Ca 0.33 -1.06 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 3cxc s ILE 114 Cb -0.15 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.01 3cxc s ILE 114 CO 0.08 0.57 0.00 -2.11 -1.23 0.00 0.00 174.94 172.24