#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxd s LEU 2 N 0.00 4.00 0.05 -0.89 1.43 -1.26 -4.90 118.68 117.10 2uxd s LEU 2 Ca 0.00 2.63 0.18 0.00 -1.03 0.00 0.00 54.13 55.91 2uxd s LEU 2 Cb 0.00 -4.15 -0.15 0.00 0.03 0.00 0.00 46.19 41.92 2uxd s LEU 2 CO 0.00 -1.20 0.75 1.07 0.23 0.00 0.00 176.35 177.20 2uxd n THR 3 N -0.56 1.03 -3.16 5.49 5.66 -1.26 -4.80 114.28 116.69 2uxd n THR 3 Ca 0.08 -0.67 0.03 0.00 -3.05 0.00 0.00 64.05 60.43 2uxd n THR 3 Cb 0.45 -0.60 -0.00 0.00 -1.55 0.00 0.00 70.33 68.63 2uxd n THR 3 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2uxd s ASP 4 N -5.58 -1.45 0.10 1.09 2.15 -1.26 -4.95 116.67 106.76 2uxd s ASP 4 Ca -0.04 -0.25 -0.23 0.00 0.43 0.00 0.00 52.55 52.46 2uxd s ASP 4 Cb 0.09 1.88 -0.07 0.00 -0.30 0.00 0.00 42.92 44.51 2uxd s ASP 4 CO 0.82 -0.22 1.39 -0.65 -0.17 0.00 0.00 175.17 176.35 2uxd h PRO 5 N 7.39 -0.22 -0.96 4.34 0.11 -1.99 -1.08 132.00 139.60 2uxd h PRO 5 Ca 0.01 0.01 0.26 0.00 0.11 0.00 0.00 66.00 66.40 2uxd h PRO 5 Cb 1.19 0.05 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 2uxd h PRO 5 CO 0.10 -0.15 0.48 0.82 -0.21 0.00 0.00 178.00 179.05 2uxd h ILE 6 N -0.23 0.41 -0.15 4.15 1.08 -1.99 0.38 117.51 121.15 2uxd h ILE 6 Ca 0.06 -0.13 -0.21 0.00 -0.39 0.00 0.00 64.86 64.19 2uxd h ILE 6 Cb 0.40 -0.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.14 2uxd h ILE 6 CO -0.48 0.07 -0.75 0.00 -0.69 0.00 0.00 178.15 176.30 2uxd h ALA 7 N 1.78 0.37 0.59 1.87 0.00 -1.81 -1.61 119.26 120.44 2uxd h ALA 7 Ca 0.64 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2uxd h ALA 7 Cb 1.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2uxd h ALA 7 CO -0.56 0.70 -0.44 0.22 0.00 0.00 0.00 179.25 179.17 2uxd h ASP 8 N 0.51 -1.15 -0.33 0.00 3.58 0.89 -1.50 116.42 118.42 2uxd h ASP 8 Ca -0.04 0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.52 2uxd h ASP 8 Cb 1.37 0.35 -0.06 0.00 1.72 0.00 0.00 39.33 42.72 2uxd h ASP 8 CO 0.15 -0.63 -0.38 -0.03 -2.88 0.00 0.00 179.24 175.47 2uxd h MET 9 N -0.99 -0.23 -1.10 0.28 4.05 -0.89 0.61 114.93 116.66 2uxd h MET 9 Ca -0.08 0.02 0.32 0.00 -0.28 0.00 0.00 59.70 59.68 2uxd h MET 9 Cb 0.82 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.62 2uxd h MET 9 CO 0.03 -0.15 1.05 -0.07 0.23 0.00 0.00 176.91 178.00 2uxd h LEU 10 N -0.24 0.00 0.04 3.39 3.38 -1.14 0.04 115.31 120.78 2uxd h LEU 10 Ca 0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 2uxd h LEU 10 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2uxd h LEU 10 CO -0.44 0.00 -1.15 0.74 0.09 0.00 0.00 178.44 177.68 2uxd h THR 11 N 0.00 1.07 -1.19 0.22 2.02 0.12 -2.84 112.91 112.31 2uxd h THR 11 Ca 0.52 -2.28 0.35 0.00 0.77 0.00 0.00 66.41 65.77 2uxd h THR 11 Cb 2.61 2.57 -0.10 0.00 -1.74 0.00 0.00 68.15 71.49 2uxd h THR 11 CO -0.01 0.51 0.78 0.03 0.37 0.00 0.00 175.52 177.21 2uxd h ARG 12 N -0.72 0.21 -0.04 6.66 3.08 0.89 1.34 114.38 125.79 2uxd h ARG 12 Ca -0.29 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 2uxd h ARG 12 Cb 1.44 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2uxd h ARG 12 CO -0.08 0.14 -0.30 0.82 -1.07 0.00 0.00 179.97 179.48 2uxd h ILE 13 N 0.22 1.46 -0.45 2.04 2.04 -1.56 -0.21 117.51 121.04 2uxd h ILE 13 Ca 0.69 -1.78 0.01 0.00 1.00 0.00 0.00 64.86 64.77 2uxd h ILE 13 Cb 2.06 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 40.57 2uxd h ILE 13 CO -0.31 0.50 0.30 -0.09 0.00 0.00 0.00 178.15 178.55 2uxd h ARG 14 N -0.26 0.59 -0.55 2.37 2.43 0.15 0.15 114.38 119.25 2uxd h ARG 14 Ca -0.03 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2uxd h ARG 14 Cb 0.98 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 2uxd h ARG 14 CO 0.06 0.39 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.99 2uxd h ASN 15 N 0.60 0.93 -0.23 -3.80 2.35 0.11 -2.73 115.58 112.81 2uxd h ASN 15 Ca 0.17 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.57 2uxd h ASN 15 Cb -0.07 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.05 2uxd h ASN 15 CO -0.04 1.00 -0.21 0.00 -1.65 0.00 0.00 177.43 176.53 2uxd h ALA 16 N 1.10 0.34 0.00 -0.83 0.00 -0.51 -3.01 119.26 116.35 2uxd h ALA 16 Ca 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2uxd h ALA 16 Cb 0.53 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2uxd h ALA 16 CO 0.03 0.28 -0.03 1.79 0.00 0.00 0.00 179.25 181.32 2uxd h THR 17 N 0.26 0.69 0.00 0.00 1.35 -0.65 -2.39 112.91 112.16 2uxd h THR 17 Ca 0.04 -0.13 -0.08 0.00 -0.55 0.00 0.00 66.41 65.69 2uxd h THR 17 Cb 0.76 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 2uxd h THR 17 CO 0.05 0.03 -0.40 0.03 -0.25 0.00 0.00 175.52 174.98 2uxd h ARG 18 N 0.00 0.00 -0.35 4.72 -0.00 -1.34 -2.59 114.38 114.82 2uxd h ARG 18 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2uxd h ARG 18 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.04 2uxd h ARG 18 CO 0.00 0.40 0.00 1.33 0.00 0.00 0.00 179.97 181.70 2uxd n VAL 19 N -3.48 0.44 -3.25 2.04 0.24 -0.99 -4.96 118.33 108.36 2uxd n VAL 19 Ca 0.00 -0.72 -0.17 0.00 -2.04 0.00 0.00 64.34 61.42 2uxd n VAL 19 Cb 0.55 1.05 0.06 0.00 -1.47 0.00 0.00 33.84 34.03 2uxd n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2uxd n TYR 20 N 1.48 -2.02 -1.52 6.34 4.01 -0.98 -5.01 117.16 119.47 2uxd n TYR 20 Ca 0.19 0.74 -0.31 0.00 -0.16 0.00 0.00 57.90 58.36 2uxd n TYR 20 Cb 0.61 -4.07 0.06 0.00 -0.31 0.00 0.00 39.34 35.63 2uxd n TYR 20 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2uxd s LYS 21 N -5.74 2.69 0.10 -0.72 1.02 -0.94 -4.97 119.74 111.17 2uxd s LYS 21 Ca 0.33 1.11 -0.14 0.00 0.02 0.00 0.00 55.97 57.30 2uxd s LYS 21 Cb -0.15 -1.95 -0.14 0.00 -0.52 0.00 0.00 37.83 35.07 2uxd s LYS 21 CO 0.54 -1.30 1.33 1.49 -0.92 0.00 0.00 175.35 176.49 2uxd h GLU 22 N -0.68 0.77 0.00 1.68 4.81 -1.91 -3.43 114.58 115.82 2uxd h GLU 22 Ca -0.44 -0.57 -0.04 0.00 -0.13 0.00 0.00 59.36 58.18 2uxd h GLU 22 Cb 1.22 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 2uxd h GLU 22 CO 0.54 1.18 0.12 -1.13 -0.73 0.00 0.00 179.01 179.00 2uxd n SER 23 N -4.04 -1.25 -3.53 1.04 3.41 -1.26 -1.92 113.62 106.07 2uxd n SER 23 Ca -0.06 -1.94 -0.14 0.00 -0.26 0.00 0.00 58.87 56.46 2uxd n SER 23 Cb 0.67 2.11 -0.05 0.00 -0.26 0.00 0.00 64.21 66.67 2uxd n SER 23 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2uxd s THR 24 N -2.51 0.00 0.14 6.66 -1.32 -0.72 -4.93 115.64 112.97 2uxd s THR 24 Ca 0.10 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.64 2uxd s THR 24 Cb -0.03 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 2uxd s THR 24 CO 0.08 0.00 0.02 -1.81 -2.21 0.00 0.00 174.62 170.70 2uxd s ASP 25 N -1.43 4.99 -0.03 8.08 1.11 -1.26 0.82 116.67 128.95 2uxd s ASP 25 Ca -0.05 -0.27 -0.01 0.00 0.18 0.00 0.00 52.55 52.39 2uxd s ASP 25 Cb -0.00 -1.15 0.02 0.00 1.07 0.00 0.00 42.92 42.86 2uxd s ASP 25 CO 0.03 0.12 0.06 0.68 1.18 0.00 0.00 175.17 177.24 2uxd s VAL 26 N -1.58 -0.03 -0.03 -1.27 -7.23 -1.15 -4.89 120.40 104.23 2uxd s VAL 26 Ca 0.27 0.10 -0.37 0.00 -1.81 0.00 0.00 61.98 60.18 2uxd s VAL 26 Cb -0.10 -0.11 -0.15 0.00 0.56 0.00 0.00 36.38 36.57 2uxd s VAL 26 CO 0.19 0.04 1.56 -2.65 -0.31 0.00 0.00 175.10 173.94 2uxd n PRO 27 N 3.62 1.44 -2.04 4.82 -0.02 -1.26 -0.36 135.00 141.20 2uxd n PRO 27 Ca -0.20 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 2uxd n PRO 27 Cb 0.55 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 2uxd n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uxd s ALA 28 N 1.88 3.60 -0.05 3.55 0.00 -0.72 -4.77 121.76 125.25 2uxd s ALA 28 Ca 0.89 1.31 -0.04 0.00 0.00 0.00 0.00 51.96 54.11 2uxd s ALA 28 Cb -0.91 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 18.68 2uxd s ALA 28 CO 0.51 -0.72 0.12 0.45 0.00 0.00 0.00 175.76 176.12 2uxd s SER 29 N 0.19 -0.12 0.32 0.00 0.15 -1.26 -4.94 113.70 108.04 2uxd s SER 29 Ca 0.57 0.24 0.06 0.00 0.70 0.00 0.00 55.95 57.52 2uxd s SER 29 Cb -0.41 0.23 0.71 0.00 -1.71 0.00 0.00 66.02 64.84 2uxd s SER 29 CO 0.45 -0.05 1.84 0.03 1.20 0.00 0.00 173.24 176.71 2uxd h ARG 30 N 6.09 0.79 -0.07 5.44 2.47 -1.99 0.37 114.38 127.48 2uxd h ARG 30 Ca -0.27 -0.05 -0.23 0.00 -1.26 0.00 0.00 59.98 58.18 2uxd h ARG 30 Cb 1.20 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 29.35 2uxd h ARG 30 CO 0.43 0.52 -0.87 0.35 0.56 0.00 0.00 179.97 180.97 2uxd h PHE 31 N 0.81 0.86 -0.41 3.04 3.57 -2.00 -2.72 116.94 120.09 2uxd h PHE 31 Ca 0.50 -0.42 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2uxd h PHE 31 Cb 0.69 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2uxd h PHE 31 CO -0.00 1.24 0.17 0.87 -2.23 0.00 0.00 178.31 178.35 2uxd h LYS 32 N 0.38 0.62 -0.71 1.11 1.57 -1.45 -2.79 116.57 115.30 2uxd h LYS 32 Ca -0.07 -0.11 0.14 0.00 -1.87 0.00 0.00 60.65 58.74 2uxd h LYS 32 Cb 1.50 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.61 2uxd h LYS 32 CO 0.17 0.57 0.22 1.49 -0.57 0.00 0.00 179.45 181.33 2uxd h GLU 33 N 0.52 0.33 -0.73 3.15 4.81 -0.31 -0.92 114.58 121.43 2uxd h GLU 33 Ca 0.14 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2uxd h GLU 33 Cb 0.19 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2uxd h GLU 33 CO -0.01 0.22 0.36 0.93 -0.73 0.00 0.00 179.01 179.78 2uxd h GLU 34 N 0.34 1.05 -0.46 1.92 4.39 -1.22 -1.26 114.58 119.34 2uxd h GLU 34 Ca 0.39 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.84 2uxd h GLU 34 Cb 0.62 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2uxd h GLU 34 CO -0.44 0.81 -0.12 0.82 -1.16 0.00 0.00 179.01 178.93 2uxd h ILE 35 N 1.03 1.26 -0.89 3.13 2.04 -1.12 -2.11 117.51 120.85 2uxd h ILE 35 Ca 0.25 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.93 2uxd h ILE 35 Cb 0.10 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 2uxd h ILE 35 CO -0.03 0.42 0.58 -0.07 0.00 0.00 0.00 178.15 179.04 2uxd h LEU 36 N 0.77 0.97 -0.04 1.44 3.38 -0.68 -1.04 115.31 120.10 2uxd h LEU 36 Ca 0.12 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2uxd h LEU 36 Cb 0.63 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2uxd h LEU 36 CO 0.04 0.67 -0.31 -0.09 0.09 0.00 0.00 178.44 178.84 2uxd h ARG 37 N 1.13 -0.42 -0.20 1.13 2.43 -0.55 0.25 114.38 118.15 2uxd h ARG 37 Ca 0.35 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.57 2uxd h ARG 37 Cb -0.01 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2uxd h ARG 37 CO -0.11 -0.28 0.08 0.82 -1.51 0.00 0.00 179.97 178.97 2uxd h ILE 38 N -0.44 0.97 -0.62 1.20 5.03 -1.27 0.72 117.51 123.11 2uxd h ILE 38 Ca 0.07 -0.06 0.11 0.00 -0.12 0.00 0.00 64.86 64.86 2uxd h ILE 38 Cb 0.54 0.77 -0.09 0.00 -3.03 0.00 0.00 36.82 35.02 2uxd h ILE 38 CO -0.29 0.03 0.15 0.25 -0.68 0.00 0.00 178.15 177.62 2uxd h LEU 39 N 0.18 0.05 0.68 1.44 5.85 -0.50 0.43 115.31 123.44 2uxd h LEU 39 Ca 0.08 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2uxd h LEU 39 Cb 0.04 0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.22 2uxd h LEU 39 CO -0.08 0.03 -0.33 0.00 -0.34 0.00 0.00 178.44 177.73 2uxd h ALA 40 N 1.48 -0.91 -0.87 1.25 0.00 0.05 -2.66 119.26 117.60 2uxd h ALA 40 Ca 0.33 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.20 2uxd h ALA 40 Cb 0.48 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 2uxd h ALA 40 CO -0.40 -0.92 0.41 -0.09 0.00 0.00 0.00 179.25 178.26 2uxd h ARG 41 N -1.10 0.50 0.00 0.00 2.43 -0.39 0.29 114.38 116.11 2uxd h ARG 41 Ca -0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2uxd h ARG 41 Cb 0.73 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2uxd h ARG 41 CO 0.15 0.33 0.00 0.39 -1.51 0.00 0.00 179.97 179.33 2uxd n GLU 42 N -4.96 0.26 -2.18 0.20 -0.58 0.15 -4.92 120.64 108.60 2uxd n GLU 42 Ca 0.19 0.10 -0.01 0.00 -0.42 0.00 0.00 57.16 57.03 2uxd n GLU 42 Cb 0.54 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 2uxd n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2uxd n GLY 43 N 0.43 -0.61 0.00 0.62 0.00 0.10 -4.98 105.19 100.76 2uxd n GLY 43 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2uxd n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2uxd n PHE 44 N -1.45 0.00 -3.58 1.61 3.72 -1.02 -5.02 117.46 111.71 2uxd n PHE 44 Ca -0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2uxd n PHE 44 Cb 0.51 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.93 2uxd n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2uxd s ILE 45 N -0.83 -0.47 0.08 4.37 -4.36 -1.25 -4.41 121.20 114.32 2uxd s ILE 45 Ca 0.00 0.13 -0.07 0.00 -0.26 0.00 0.00 60.65 60.46 2uxd s ILE 45 Cb 0.00 -0.59 0.07 0.00 1.25 0.00 0.00 42.46 43.20 2uxd s ILE 45 CO 0.00 0.01 0.54 0.29 0.24 0.00 0.00 174.94 176.02 2uxd n LYS 46 N 5.35 -0.09 -3.08 0.37 5.02 -1.02 -4.47 118.16 120.25 2uxd n LYS 46 Ca -0.06 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2uxd n LYS 46 Cb 0.50 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 2uxd n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uxd n GLY 47 N -1.16 -1.14 3.51 0.72 0.00 -1.16 -4.99 105.19 100.97 2uxd n GLY 47 Ca 0.03 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 2uxd n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2uxd s TYR 48 N -3.00 -0.45 -0.19 1.61 -0.85 -1.26 -0.39 117.35 112.83 2uxd s TYR 48 Ca 0.00 0.21 -0.28 0.00 -0.52 0.00 0.00 57.07 56.48 2uxd s TYR 48 Cb 0.00 0.58 0.11 0.00 0.38 0.00 0.00 41.96 43.03 2uxd s TYR 48 CO 0.00 -0.85 0.95 -1.83 -1.52 0.00 0.00 175.55 172.30 2uxd s GLU 49 N -3.65 0.64 1.05 -3.49 -1.05 -0.71 -4.99 118.70 106.50 2uxd s GLU 49 Ca 0.03 0.36 -0.19 0.00 -0.15 0.00 0.00 54.97 55.02 2uxd s GLU 49 Cb -0.02 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 33.99 2uxd s GLU 49 CO -0.09 -0.16 -0.29 0.54 0.95 0.00 0.00 175.26 176.21 2uxd n ARG 50 N 1.35 -0.87 0.00 -4.83 3.00 -1.26 -2.63 116.66 111.41 2uxd n ARG 50 Ca -0.12 -0.24 0.00 0.00 -0.01 0.00 0.00 57.85 57.48 2uxd n ARG 50 Cb 0.57 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 31.50 2uxd n ARG 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2uxd n VAL 51 N -3.89 0.00 -4.17 1.55 0.31 -1.08 -4.73 118.33 106.31 2uxd n VAL 51 Ca 0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.08 2uxd n VAL 51 Cb 0.63 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.49 2uxd n VAL 51 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2uxd s ASP 52 N 0.00 4.98 -0.12 4.52 -0.00 -1.26 0.03 116.67 124.82 2uxd s ASP 52 Ca 0.00 -0.33 -0.05 0.00 -0.00 0.00 0.00 52.55 52.17 2uxd s ASP 52 Cb 0.00 -1.13 0.05 0.00 -0.00 0.00 0.00 42.92 41.84 2uxd s ASP 52 CO 0.00 0.08 0.26 -0.69 -0.00 0.00 0.00 175.17 174.82 2uxd s VAL 53 N -1.75 -0.13 -1.51 -1.27 1.01 0.12 -4.76 120.40 112.11 2uxd s VAL 53 Ca 0.29 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2uxd s VAL 53 Cb -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.87 2uxd s VAL 53 CO 0.20 0.07 0.00 0.47 0.00 0.00 0.00 175.10 175.84 2uxd n ASP 54 N 4.50 -4.48 0.00 3.32 9.92 -1.26 0.93 116.55 129.49 2uxd n ASP 54 Ca -0.21 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 2uxd n ASP 54 Cb 0.52 -3.83 0.00 0.00 -0.64 0.00 0.00 41.12 37.17 2uxd n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2uxd n GLY 55 N -0.14 0.52 3.21 0.44 0.00 -1.26 -5.05 105.19 102.90 2uxd n GLY 55 Ca -0.14 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 2uxd n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uxd s LYS 56 N -1.45 1.54 -0.13 1.61 3.01 0.27 -5.06 119.74 119.52 2uxd s LYS 56 Ca 0.00 -0.74 -0.29 0.00 -1.01 0.00 0.00 55.97 53.93 2uxd s LYS 56 Cb 0.00 -1.52 -0.06 0.00 -1.01 0.00 0.00 37.83 35.24 2uxd s LYS 56 CO 0.00 0.41 2.14 -0.35 0.51 0.00 0.00 175.35 178.06 2uxd n PRO 57 N 2.47 2.27 -4.55 -1.68 -0.04 -1.26 0.12 135.00 132.33 2uxd n PRO 57 Ca -0.15 0.71 -0.25 0.00 -0.04 0.00 0.00 63.50 63.76 2uxd n PRO 57 Cb 0.53 -3.16 -0.10 0.00 -0.04 0.00 0.00 33.50 30.74 2uxd n PRO 57 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2uxd s TYR 58 N 7.01 2.01 -0.40 0.54 1.51 0.10 -1.75 117.35 126.38 2uxd s TYR 58 Ca 0.97 -0.98 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 2uxd s TYR 58 Cb -0.37 -1.40 0.12 0.00 -0.11 0.00 0.00 41.96 40.20 2uxd s TYR 58 CO 0.38 0.06 0.18 -0.51 -1.11 0.00 0.00 175.55 174.55 2uxd s LEU 59 N -3.62 2.94 -0.22 -1.29 1.43 0.51 -2.65 118.68 115.78 2uxd s LEU 59 Ca 0.28 -2.36 -0.29 0.00 -1.03 0.00 0.00 54.13 50.74 2uxd s LEU 59 Cb 0.06 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 2uxd s LEU 59 CO 0.14 -0.31 1.90 -0.60 0.23 0.00 0.00 176.35 177.70 2uxd s ARG 60 N 0.68 3.51 -0.30 1.70 3.52 -1.08 -2.94 118.95 124.04 2uxd s ARG 60 Ca 0.15 1.83 -0.12 0.00 -0.13 0.00 0.00 55.73 57.46 2uxd s ARG 60 Cb -0.22 -4.20 -0.04 0.00 -1.56 0.00 0.00 34.95 28.93 2uxd s ARG 60 CO -0.07 -1.66 0.22 0.08 -0.81 0.00 0.00 175.30 173.06 2uxd s VAL 61 N 6.54 5.29 -0.29 7.11 1.01 0.24 -1.74 120.40 138.57 2uxd s VAL 61 Ca 0.85 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.70 2uxd s VAL 61 Cb -0.29 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 2uxd s VAL 61 CO 0.34 0.17 0.73 -0.31 0.00 0.00 0.00 175.10 176.03 2uxd s TYR 62 N 1.78 3.24 0.39 5.22 2.02 0.48 -1.75 117.35 128.72 2uxd s TYR 62 Ca 0.07 0.82 -0.10 0.00 -0.37 0.00 0.00 57.07 57.49 2uxd s TYR 62 Cb -0.16 -3.08 -0.06 0.00 -0.40 0.00 0.00 41.96 38.25 2uxd s TYR 62 CO 0.11 -0.48 0.74 -0.51 -1.57 0.00 0.00 175.55 173.84 2uxd s LEU 63 N 2.79 3.87 0.02 -1.29 2.01 -0.81 -2.42 118.68 122.85 2uxd s LEU 63 Ca 0.30 1.09 0.03 0.00 0.01 0.00 0.00 54.13 55.56 2uxd s LEU 63 Cb -0.15 -3.96 -0.02 0.00 0.01 0.00 0.00 46.19 42.08 2uxd s LEU 63 CO 0.11 -0.36 -0.09 -1.59 1.01 0.00 0.00 176.35 175.42 2uxd s LYS 64 N -3.77 0.67 0.29 1.70 -2.85 -1.26 -4.62 119.74 109.90 2uxd s LYS 64 Ca 0.50 -0.55 0.02 0.00 -1.00 0.00 0.00 55.97 54.94 2uxd s LYS 64 Cb -0.10 -0.60 -0.05 0.00 -2.06 0.00 0.00 37.83 35.02 2uxd s LYS 64 CO 0.30 0.15 0.11 0.71 0.10 0.00 0.00 175.35 176.72 2uxd s TYR 65 N -0.72 1.63 0.00 1.78 1.51 -1.26 -4.13 117.35 116.16 2uxd s TYR 65 Ca -0.01 -1.21 0.00 0.00 -1.01 0.00 0.00 57.07 54.84 2uxd s TYR 65 Cb -0.06 -0.96 0.00 0.00 -0.11 0.00 0.00 41.96 40.83 2uxd s TYR 65 CO 0.00 -0.34 0.00 0.41 -1.11 0.00 0.00 175.55 174.51 2uxd n GLY 66 N -0.56 -2.01 3.97 0.71 0.00 -0.27 -4.89 105.19 102.14 2uxd n GLY 66 Ca -0.00 -1.31 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 2uxd n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2uxd s PRO 67 N 0.00 3.36 0.87 1.61 0.04 -1.26 -4.67 135.00 134.94 2uxd s PRO 67 Ca 0.00 -0.82 -0.12 0.00 0.04 0.00 0.00 61.00 60.10 2uxd s PRO 67 Cb 0.00 -2.87 0.09 0.00 0.04 0.00 0.00 34.50 31.76 2uxd s PRO 67 CO 0.00 0.33 0.97 -2.13 0.04 0.00 0.00 177.00 176.21 2uxd n ARG 68 N -1.48 -0.12 -4.46 4.56 0.63 -1.26 -3.84 116.66 110.69 2uxd n ARG 68 Ca -0.07 0.03 -0.29 0.00 -0.92 0.00 0.00 57.85 56.61 2uxd n ARG 68 Cb 0.57 -2.26 -0.07 0.00 0.45 0.00 0.00 32.46 31.15 2uxd n ARG 68 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2uxd s ARG 69 N -4.09 2.16 0.04 -0.14 3.52 -0.44 -4.92 118.95 115.08 2uxd s ARG 69 Ca 0.67 -2.16 0.07 0.00 -0.13 0.00 0.00 55.73 54.19 2uxd s ARG 69 Cb -0.26 -1.74 -0.03 0.00 -1.56 0.00 0.00 34.95 31.36 2uxd s ARG 69 CO 0.57 -0.28 -0.19 -0.65 -0.81 0.00 0.00 175.30 173.95 2uxd s GLN 70 N -3.91 2.05 0.13 5.12 -1.52 -1.26 -4.59 119.66 115.68 2uxd s GLN 70 Ca 0.24 -0.99 0.00 0.00 -1.95 0.00 0.00 55.36 52.66 2uxd s GLN 70 Cb 0.03 -2.17 0.00 0.00 -0.22 0.00 0.00 33.01 30.65 2uxd s GLN 70 CO 0.13 0.54 0.00 0.41 -0.25 0.00 0.00 175.29 176.12 2uxd n GLY 71 N 1.55 -2.26 3.76 3.09 0.00 -1.26 -4.92 105.19 105.15 2uxd n GLY 71 Ca -0.16 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 2uxd n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2uxd s PRO 72 N -0.22 3.65 -0.12 1.61 0.04 -1.26 -4.25 135.00 134.45 2uxd s PRO 72 Ca 0.00 2.35 -0.08 0.00 0.04 0.00 0.00 61.00 63.31 2uxd s PRO 72 Cb 0.00 -2.61 0.03 0.00 0.04 0.00 0.00 34.50 31.96 2uxd s PRO 72 CO 0.00 -0.82 0.16 -3.47 0.04 0.00 0.00 177.00 172.91 2uxd n ASP 73 N -0.27 -0.94 -0.30 6.66 4.64 -1.26 -4.96 116.55 120.12 2uxd n ASP 73 Ca 0.06 0.83 0.11 0.00 -1.38 0.00 0.00 54.79 54.41 2uxd n ASP 73 Cb 0.43 -3.64 0.08 0.00 -1.04 0.00 0.00 41.12 36.95 2uxd n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2uxd n PRO 74 N 1.05 0.78 -1.66 -0.67 -0.04 -1.26 -4.62 135.00 128.57 2uxd n PRO 74 Ca -0.27 -0.60 -0.44 0.00 -0.04 0.00 0.00 63.50 62.15 2uxd n PRO 74 Cb 0.41 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 2uxd n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2uxd n ARG 75 N -0.59 1.87 -1.14 0.54 1.74 -1.26 -1.33 116.66 116.48 2uxd n ARG 75 Ca 0.09 0.66 -0.35 0.00 -0.77 0.00 0.00 57.85 57.48 2uxd n ARG 75 Cb 0.40 -2.23 0.10 0.00 -1.02 0.00 0.00 32.46 29.71 2uxd n ARG 75 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2uxd n PRO 76 N 1.32 0.18 -1.46 5.56 -0.02 -1.26 -4.46 135.00 134.86 2uxd n PRO 76 Ca 0.09 0.12 -0.31 0.00 -2.02 0.00 0.00 63.50 61.38 2uxd n PRO 76 Cb 0.32 -2.03 0.07 0.00 -0.02 0.00 0.00 33.50 31.84 2uxd n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2uxd s GLU 77 N -3.33 2.55 -0.15 -0.52 2.12 -1.25 -4.78 118.70 113.34 2uxd s GLU 77 Ca 0.67 0.97 -0.12 0.00 0.36 0.00 0.00 54.97 56.84 2uxd s GLU 77 Cb -0.31 -1.95 -0.05 0.00 0.26 0.00 0.00 34.13 32.09 2uxd s GLU 77 CO 0.57 -1.38 0.25 -0.65 -0.54 0.00 0.00 175.26 173.51 2uxd s GLN 78 N -5.01 4.10 0.17 4.30 -1.52 -1.26 -1.12 119.66 119.31 2uxd s GLN 78 Ca 0.59 0.03 -0.09 0.00 -1.95 0.00 0.00 55.36 53.94 2uxd s GLN 78 Cb -0.15 -3.37 0.03 0.00 -0.22 0.00 0.00 33.01 29.30 2uxd s GLN 78 CO 0.55 0.37 1.58 0.28 -0.25 0.00 0.00 175.29 177.82 2uxd h VAL 79 N 4.49 1.27 -3.76 1.09 2.07 -1.91 -3.34 116.25 116.16 2uxd h VAL 79 Ca -0.44 -1.32 -0.77 0.00 0.82 0.00 0.00 66.70 64.99 2uxd h VAL 79 Cb 1.18 1.03 -0.28 0.00 -1.52 0.00 0.00 31.29 31.69 2uxd h VAL 79 CO 0.72 0.46 0.01 -0.63 0.02 0.00 0.00 177.57 178.15 2uxd s ILE 80 N -4.77 5.21 -0.22 4.57 1.01 -1.26 -4.89 121.20 120.86 2uxd s ILE 80 Ca -0.11 -2.64 0.24 0.00 0.00 0.00 0.00 60.65 58.13 2uxd s ILE 80 Cb 0.13 -4.24 0.29 0.00 0.01 0.00 0.00 42.46 38.65 2uxd s ILE 80 CO 0.87 -1.01 1.68 0.45 0.00 0.00 0.00 174.94 176.94 2uxd h HIS 81 N 7.54 0.00 -3.02 3.97 3.86 -1.68 -3.46 115.15 122.35 2uxd h HIS 81 Ca 0.09 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.19 2uxd h HIS 81 Cb 1.01 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.29 2uxd h HIS 81 CO 0.96 0.11 -0.24 -1.58 0.86 0.00 0.00 177.93 178.04 2uxd s HIS 82 N -3.31 -0.20 -0.32 2.45 5.65 -1.13 -5.04 115.29 113.39 2uxd s HIS 82 Ca 0.05 0.26 -0.06 0.00 0.25 0.00 0.00 55.06 55.55 2uxd s HIS 82 Cb 0.07 0.12 0.19 0.00 -1.18 0.00 0.00 32.58 31.77 2uxd s HIS 82 CO 0.65 -0.43 0.94 -1.50 -0.65 0.00 0.00 174.74 173.75 2uxd s ILE 83 N -1.58 -0.43 -0.10 0.89 2.07 -1.26 -3.55 121.20 117.24 2uxd s ILE 83 Ca -0.12 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.15 2uxd s ILE 83 Cb -0.04 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.31 2uxd s ILE 83 CO 0.03 0.00 -0.20 0.00 -1.91 0.00 0.00 174.94 172.86 2uxd s ARG 84 N 2.46 3.04 0.31 3.50 1.70 -1.08 -4.96 118.95 123.93 2uxd s ARG 84 Ca 0.20 -0.80 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 2uxd s ARG 84 Cb -0.01 -2.40 -0.10 0.00 -0.57 0.00 0.00 34.95 31.87 2uxd s ARG 84 CO -0.19 0.26 1.35 0.50 -1.08 0.00 0.00 175.30 176.15 2uxd s ARG 85 N 0.18 4.32 -0.06 3.89 3.00 -1.26 -2.46 118.95 126.55 2uxd s ARG 85 Ca -0.11 2.26 -0.04 0.00 -1.00 0.00 0.00 55.73 56.83 2uxd s ARG 85 Cb -0.16 -3.08 -0.03 0.00 0.00 0.00 0.00 34.95 31.68 2uxd s ARG 85 CO 0.06 -0.27 -0.10 -0.89 0.00 0.00 0.00 175.30 174.10 2uxd n ILE 86 N 1.25 0.56 -3.03 4.11 5.41 -1.11 -4.93 119.36 121.62 2uxd n ILE 86 Ca 0.02 -0.04 -0.41 0.00 1.00 0.00 0.00 62.75 63.33 2uxd n ILE 86 Cb 0.41 -1.63 -0.05 0.00 -0.71 0.00 0.00 39.64 37.66 2uxd n ILE 86 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2uxd s SER 87 N -5.73 6.74 0.22 4.38 0.15 -1.14 -4.77 113.70 113.55 2uxd s SER 87 Ca -0.10 0.91 0.10 0.00 0.70 0.00 0.00 55.95 57.55 2uxd s SER 87 Cb 0.04 -2.38 -0.05 0.00 -1.71 0.00 0.00 66.02 61.92 2uxd s SER 87 CO 0.13 -0.37 -0.18 -0.54 1.20 0.00 0.00 173.24 173.48 2uxd s LYS 88 N 2.29 1.46 0.74 5.44 1.02 -0.70 -4.89 119.74 125.09 2uxd s LYS 88 Ca 0.31 -1.62 -0.15 0.00 0.02 0.00 0.00 55.97 54.53 2uxd s LYS 88 Cb -0.16 -1.44 0.04 0.00 -0.52 0.00 0.00 37.83 35.75 2uxd s LYS 88 CO 0.10 0.27 1.24 -1.25 -0.92 0.00 0.00 175.35 174.78 2uxd s PRO 89 N -3.38 2.06 0.00 -1.68 0.04 -1.26 -0.13 135.00 130.65 2uxd s PRO 89 Ca 0.24 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2uxd s PRO 89 Cb -0.04 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2uxd s PRO 89 CO 0.10 -1.92 0.00 0.41 0.04 0.00 0.00 177.00 175.63 2uxd n GLY 90 N 0.61 2.09 0.00 0.56 0.00 -1.26 -4.78 105.19 102.41 2uxd n GLY 90 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2uxd n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2uxd n ARG 91 N -2.00 0.00 -2.07 1.61 0.00 0.82 -5.16 116.66 109.85 2uxd n ARG 91 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 2uxd n ARG 91 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.48 2uxd n ARG 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2uxd s ARG 92 N 0.00 3.09 -0.35 -0.14 3.00 -1.03 -1.72 118.95 121.80 2uxd s ARG 92 Ca 0.00 1.69 -0.01 0.00 0.00 0.00 0.00 55.73 57.41 2uxd s ARG 92 Cb 0.00 -1.96 0.12 0.00 0.00 0.00 0.00 34.95 33.11 2uxd s ARG 92 CO 0.00 -1.08 0.17 0.08 0.00 0.00 0.00 175.30 174.47 2uxd s VAL 93 N -1.76 0.58 -0.20 3.52 1.01 -1.26 -4.87 120.40 117.42 2uxd s VAL 93 Ca 0.74 -1.62 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 2uxd s VAL 93 Cb -0.26 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2uxd s VAL 93 CO 0.32 -0.83 0.30 -0.31 0.00 0.00 0.00 175.10 174.58 2uxd s TYR 94 N 1.27 3.39 0.16 5.22 1.51 -1.26 -0.21 117.35 127.43 2uxd s TYR 94 Ca 0.14 0.52 0.11 0.00 -1.01 0.00 0.00 57.07 56.82 2uxd s TYR 94 Cb -0.20 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.21 2uxd s TYR 94 CO -0.14 0.10 -0.23 0.14 -1.11 0.00 0.00 175.55 174.31 2uxd s VAL 95 N 0.94 2.48 0.63 0.71 -7.23 -0.75 -4.94 120.40 112.25 2uxd s VAL 95 Ca 0.15 -1.83 -0.04 0.00 -1.81 0.00 0.00 61.98 58.45 2uxd s VAL 95 Cb -0.14 -2.16 0.04 0.00 0.56 0.00 0.00 36.38 34.69 2uxd s VAL 95 CO 0.05 -0.02 0.92 -0.83 -0.31 0.00 0.00 175.10 174.91 2uxd s GLY 96 N -2.42 1.71 0.59 2.32 0.00 -1.26 -1.07 107.32 107.19 2uxd s GLY 96 Ca 0.19 -1.01 0.28 0.00 0.00 0.00 0.00 44.72 44.17 2uxd s GLY 96 CO 0.09 -0.67 1.84 -0.24 0.00 0.00 0.00 173.10 174.12 2uxd h VAL 97 N -0.31 0.00 -0.01 1.40 3.04 -1.91 0.94 116.25 119.41 2uxd h VAL 97 Ca -0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 2uxd h VAL 97 Cb 1.30 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2uxd h VAL 97 CO 0.58 0.00 -0.65 2.29 -1.01 0.00 0.00 177.57 178.78 2uxd n LYS 98 N -2.73 1.17 -0.37 4.17 2.85 -1.26 -4.20 118.16 117.79 2uxd n LYS 98 Ca -0.02 -0.44 0.11 0.00 -1.05 0.00 0.00 58.31 56.91 2uxd n LYS 98 Cb 0.33 -1.38 0.32 0.00 -0.65 0.00 0.00 35.03 33.65 2uxd n LYS 98 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2uxd n GLU 99 N -0.77 2.69 -2.63 -1.58 1.02 0.32 -4.93 120.64 114.77 2uxd n GLU 99 Ca 0.06 -2.57 -0.42 0.00 -0.02 0.00 0.00 57.16 54.20 2uxd n GLU 99 Cb 0.35 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 2uxd n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2uxd s ILE 100 N -1.08 4.64 0.53 -3.67 1.01 -1.04 -4.66 121.20 116.94 2uxd s ILE 100 Ca 0.48 1.93 -0.21 0.00 0.00 0.00 0.00 60.65 62.85 2uxd s ILE 100 Cb 0.25 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 2uxd s ILE 100 CO 0.32 -0.01 1.24 -2.16 0.00 0.00 0.00 174.94 174.32 2uxd s PRO 101 N 2.18 3.29 -0.99 2.79 0.04 -1.26 -4.99 135.00 136.07 2uxd s PRO 101 Ca 0.50 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 2uxd s PRO 101 Cb -0.20 -2.19 0.31 0.00 0.04 0.00 0.00 34.50 32.47 2uxd s PRO 101 CO 0.18 -0.98 1.59 0.54 0.04 0.00 0.00 177.00 178.37 2uxd n ARG 102 N -1.05 4.81 -1.30 4.56 5.12 -1.26 -4.88 116.66 122.67 2uxd n ARG 102 Ca 0.10 -4.65 -0.59 0.00 -1.93 0.00 0.00 57.85 50.78 2uxd n ARG 102 Cb 0.48 -2.45 -0.11 0.00 -1.16 0.00 0.00 32.46 29.21 2uxd n ARG 102 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2uxd n VAL 103 N 0.41 0.02 -3.31 1.55 0.31 -1.26 -2.64 118.33 113.42 2uxd n VAL 103 Ca 0.38 -0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.56 2uxd n VAL 103 Cb 0.30 -0.64 0.02 0.00 -0.91 0.00 0.00 33.84 32.61 2uxd n VAL 103 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2uxd n ARG 104 N 7.41 -1.51 -2.01 5.55 5.12 -1.26 -1.24 116.66 128.73 2uxd n ARG 104 Ca 0.52 1.11 -0.03 0.00 -1.93 0.00 0.00 57.85 57.51 2uxd n ARG 104 Cb -0.01 -4.98 -0.01 0.00 -1.16 0.00 0.00 32.46 26.30 2uxd n ARG 104 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2uxd n ARG 105 N -2.55 -0.98 0.00 5.56 5.12 -1.08 0.31 116.66 123.04 2uxd n ARG 105 Ca -0.08 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 2uxd n ARG 105 Cb 0.57 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 31.49 2uxd n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2uxd n GLY 106 N -0.71 2.75 0.24 -0.13 0.00 -1.14 -4.93 105.19 101.27 2uxd n GLY 106 Ca -0.00 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.49 2uxd n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2uxd h LEU 107 N 0.00 0.00 0.00 0.99 3.38 0.46 -3.44 115.31 116.70 2uxd h LEU 107 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2uxd h LEU 107 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2uxd h LEU 107 CO 0.00 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2uxd n GLY 108 N -0.95 1.52 3.79 0.83 0.00 -0.37 -4.90 105.19 105.12 2uxd n GLY 108 Ca -0.02 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 43.94 2uxd n GLY 108 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2uxd s ILE 109 N 1.68 0.00 -0.00 -0.61 -4.36 -1.26 -4.83 121.20 111.81 2uxd s ILE 109 Ca 0.00 -1.09 -0.00 0.00 -0.26 0.00 0.00 60.65 59.30 2uxd s ILE 109 Cb 0.00 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.55 2uxd s ILE 109 CO 0.00 0.00 0.01 0.00 0.24 0.00 0.00 174.94 175.19 2uxd s ALA 110 N -3.71 -0.01 -0.31 2.27 0.00 -1.26 -2.50 121.76 116.24 2uxd s ALA 110 Ca 0.14 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.09 2uxd s ALA 110 Cb -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2uxd s ALA 110 CO 0.08 -0.02 0.08 0.42 0.00 0.00 0.00 175.76 176.32 2uxd s ILE 111 N 0.13 3.81 -0.05 0.00 1.01 -0.84 -0.85 121.20 124.41 2uxd s ILE 111 Ca -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.80 2uxd s ILE 111 Cb -0.02 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.42 2uxd s ILE 111 CO -0.00 -0.01 -0.19 -1.48 0.00 0.00 0.00 174.94 173.26 2uxd s LEU 112 N 1.45 1.95 -0.10 2.97 2.34 -1.00 -0.79 118.68 125.49 2uxd s LEU 112 Ca 0.01 -0.38 -0.27 0.00 0.06 0.00 0.00 54.13 53.54 2uxd s LEU 112 Cb -0.18 -1.05 -0.02 0.00 -0.56 0.00 0.00 46.19 44.38 2uxd s LEU 112 CO 0.02 0.17 0.88 -0.55 -1.06 0.00 0.00 176.35 175.81 2uxd s SER 113 N -0.00 7.12 0.47 1.48 0.15 -0.44 -1.69 113.70 120.78 2uxd s SER 113 Ca -0.04 1.36 0.02 0.00 0.70 0.00 0.00 55.95 58.00 2uxd s SER 113 Cb -0.12 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 2uxd s SER 113 CO 0.02 -0.33 0.04 0.42 1.20 0.00 0.00 173.24 174.59 2uxd s THR 114 N 1.65 1.08 0.36 6.45 -4.23 -0.04 -2.02 115.64 118.87 2uxd s THR 114 Ca 0.43 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.20 2uxd s THR 114 Cb -0.18 -2.29 0.27 0.00 1.34 0.00 0.00 72.50 71.64 2uxd s THR 114 CO 0.18 0.00 2.00 0.77 -0.54 0.00 0.00 174.62 177.03 2uxd h SER 115 N 1.51 0.00 -0.46 3.99 4.64 -1.97 -0.79 113.55 120.48 2uxd h SER 115 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2uxd h SER 115 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2uxd h SER 115 CO 0.70 0.16 0.00 0.29 -0.87 0.00 0.00 176.83 177.11 2uxd n LYS 116 N -3.63 2.95 0.00 4.77 5.02 -1.26 -5.04 118.16 120.97 2uxd n LYS 116 Ca -0.01 -2.03 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 2uxd n LYS 116 Cb 0.29 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2uxd n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uxd n GLY 117 N 0.89 1.20 3.67 0.72 0.00 -0.30 -4.95 105.19 106.41 2uxd n GLY 117 Ca 0.18 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 2uxd n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uxd s VAL 118 N -1.59 4.63 0.01 1.61 1.01 -1.26 -0.86 120.40 123.95 2uxd s VAL 118 Ca 0.00 1.96 -0.11 0.00 0.00 0.00 0.00 61.98 63.83 2uxd s VAL 118 Cb 0.00 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.13 2uxd s VAL 118 CO 0.00 -0.14 0.22 -1.48 0.00 0.00 0.00 175.10 173.70 2uxd s LEU 119 N 3.02 1.23 1.35 3.92 2.34 -0.68 -4.96 118.68 124.89 2uxd s LEU 119 Ca 0.46 -0.13 -0.20 0.00 0.06 0.00 0.00 54.13 54.32 2uxd s LEU 119 Cb -0.17 0.98 0.34 0.00 -0.56 0.00 0.00 46.19 46.78 2uxd s LEU 119 CO 0.09 -0.45 0.87 0.35 -1.06 0.00 0.00 176.35 176.15 2uxd n THR 120 N 1.18 0.00 -0.01 5.48 -2.24 -1.26 -2.37 114.28 115.06 2uxd n THR 120 Ca -0.21 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 2uxd n THR 120 Cb 0.57 -0.96 -0.09 0.00 -2.10 0.00 0.00 70.33 67.75 2uxd n THR 120 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2uxd h ASP 121 N -3.23 0.03 -0.73 3.42 -0.00 -1.38 -0.31 116.42 114.22 2uxd h ASP 121 Ca -0.49 -0.39 0.11 0.00 -0.00 0.00 0.00 57.03 56.26 2uxd h ASP 121 Cb 1.31 -0.01 -0.08 0.00 -0.00 0.00 0.00 39.33 40.56 2uxd h ASP 121 CO 0.34 0.41 0.34 -0.09 -0.00 0.00 0.00 179.24 180.24 2uxd h ARG 122 N -0.36 0.54 -0.50 4.15 2.43 -1.91 0.23 114.38 118.96 2uxd h ARG 122 Ca 0.00 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 2uxd h ARG 122 Cb 0.40 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2uxd h ARG 122 CO 0.00 0.35 0.00 0.93 -1.51 0.00 0.00 179.97 179.75 2uxd h GLU 123 N 0.55 0.84 -0.18 0.20 5.08 -1.87 -2.93 114.58 116.28 2uxd h GLU 123 Ca 0.37 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2uxd h GLU 123 Cb 0.45 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2uxd h GLU 123 CO -0.31 0.84 -0.23 0.00 -1.00 0.00 0.00 179.01 178.31 2uxd h ALA 124 N 1.22 0.27 -0.51 3.43 0.00 1.00 -2.86 119.26 121.80 2uxd h ALA 124 Ca 0.15 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.78 2uxd h ALA 124 Cb 0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2uxd h ALA 124 CO 0.02 0.22 0.35 0.00 0.00 0.00 0.00 179.25 179.84 2uxd h ARG 125 N 0.11 0.32 0.00 0.00 3.08 -0.65 0.01 114.38 117.25 2uxd h ARG 125 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2uxd h ARG 125 Cb 0.79 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2uxd h ARG 125 CO 0.05 0.21 0.00 1.17 -1.07 0.00 0.00 179.97 180.34 2uxd n LYS 126 N -4.47 0.00 0.00 0.04 4.81 -1.09 -2.10 118.16 115.36 2uxd n LYS 126 Ca 0.08 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2uxd n LYS 126 Cb 0.34 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.22 2uxd n LYS 126 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2uxd n LEU 127 N -1.07 0.00 -2.73 3.14 7.99 -1.16 -4.82 117.00 118.35 2uxd n LEU 127 Ca 0.00 0.34 -0.00 0.00 -0.01 0.00 0.00 56.01 56.34 2uxd n LEU 127 Cb 0.00 -0.34 0.00 0.00 -0.11 0.00 0.00 43.42 42.97 2uxd n LEU 127 CO 0.00 -0.34 0.27 0.61 -1.51 0.00 0.00 177.39 176.42 2uxd n GLY 128 N -1.33 -1.05 3.29 -0.72 0.00 -0.07 -5.07 105.19 100.25 2uxd n GLY 128 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 2uxd n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uxd s VAL 129 N -2.97 0.09 0.11 1.61 -7.23 -0.85 -4.95 120.40 106.21 2uxd s VAL 129 Ca 0.01 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 2uxd s VAL 129 Cb -0.00 -1.26 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 2uxd s VAL 129 CO 0.59 -0.41 0.01 0.61 -0.31 0.00 0.00 175.10 175.59 2uxd n GLY 130 N -0.18 3.99 0.00 2.32 0.00 -1.26 -4.35 105.19 105.72 2uxd n GLY 130 Ca -0.15 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.72 2uxd n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uxd n GLY 131 N 2.84 -1.20 3.64 -0.02 0.00 -0.24 -4.63 105.19 105.59 2uxd n GLY 131 Ca -0.04 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 2uxd n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uxd s GLU 132 N -1.77 3.89 -0.78 1.61 2.12 -0.86 -1.80 118.70 121.11 2uxd s GLU 132 Ca 0.00 2.37 -0.26 0.00 0.36 0.00 0.00 54.97 57.43 2uxd s GLU 132 Cb 0.00 -4.18 0.03 0.00 0.26 0.00 0.00 34.13 30.24 2uxd s GLU 132 CO 0.00 -1.23 1.29 -1.17 -0.54 0.00 0.00 175.26 173.61 2uxd s LEU 133 N 5.35 3.26 0.24 2.70 0.20 0.71 -1.33 118.68 129.82 2uxd s LEU 133 Ca 0.88 -0.61 0.11 0.00 0.69 0.00 0.00 54.13 55.20 2uxd s LEU 133 Cb -0.38 -2.56 0.19 0.00 -0.43 0.00 0.00 46.19 43.01 2uxd s LEU 133 CO 0.38 -1.78 1.50 0.40 -0.29 0.00 0.00 176.35 176.56 2uxd h ILE 134 N 6.13 1.36 0.00 6.68 2.04 -1.27 -3.02 117.51 129.43 2uxd h ILE 134 Ca -0.21 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.19 2uxd h ILE 134 Cb 1.05 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 2uxd h ILE 134 CO 1.30 0.67 0.00 0.00 0.00 0.00 0.00 178.15 180.12 2uxd s GLU 136 N -1.00 3.19 -0.36 0.00 2.02 -1.03 -1.98 118.70 119.54 2uxd s GLU 136 Ca 0.00 0.25 0.12 0.00 0.02 0.00 0.00 54.97 55.36 2uxd s GLU 136 Cb 0.00 -2.23 0.40 0.00 0.10 0.00 0.00 34.13 32.41 2uxd s GLU 136 CO 0.00 -0.60 1.47 0.28 0.02 0.00 0.00 175.26 176.44 2uxd n VAL 137 N -2.59 0.02 1.12 2.63 0.31 -1.04 -2.62 118.33 116.15 2uxd n VAL 137 Ca 0.04 -1.21 0.09 0.00 -0.01 0.00 0.00 64.34 63.25 2uxd n VAL 137 Cb 0.56 1.00 0.53 0.00 -0.91 0.00 0.00 33.84 35.03 2uxd n VAL 137 CO 0.00 0.00 0.00 -2.67 -1.32 0.00 0.00 176.83 172.84