#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t s GLN 2 N 0.00 0.32 -0.19 -2.82 -0.44 -1.26 -5.12 119.66 110.15 1o8t s GLN 2 Ca 0.00 0.22 -0.05 0.00 -2.50 0.00 0.00 55.36 53.03 1o8t s GLN 2 Cb 0.00 -0.77 0.09 0.00 -1.64 0.00 0.00 33.01 30.69 1o8t s GLN 2 CO 0.00 -0.31 0.32 -1.14 0.50 0.00 0.00 175.29 174.66 1o8t s GLN 3 N 2.04 0.25 -1.25 1.67 -0.44 -1.26 -5.08 119.66 115.59 1o8t s GLN 3 Ca 0.05 0.66 -0.20 0.00 -2.50 0.00 0.00 55.36 53.37 1o8t s GLN 3 Cb -0.12 -0.28 -0.00 0.00 -1.64 0.00 0.00 33.01 30.97 1o8t s GLN 3 CO -0.04 -0.44 1.83 -0.35 0.50 0.00 0.00 175.29 176.79 1o8t n PRO 4 N 5.36 2.47 -0.02 1.67 -0.04 -1.26 -4.75 135.00 138.43 1o8t n PRO 4 Ca -0.06 -2.90 -0.13 0.00 -0.04 0.00 0.00 63.50 60.37 1o8t n PRO 4 Cb 0.50 -3.60 -0.11 0.00 -0.04 0.00 0.00 33.50 30.25 1o8t n PRO 4 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1o8t h GLN 5 N 8.50 -0.01 -4.75 0.54 4.20 -2.06 -3.37 115.11 118.15 1o8t h GLN 5 Ca 0.35 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.49 1o8t h GLN 5 Cb 0.90 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.73 1o8t h GLN 5 CO 1.36 0.61 1.84 0.94 -0.67 0.00 0.00 178.83 182.91 1o8t n GLN 6 N -4.80 1.16 -1.22 1.46 0.00 -1.26 -4.92 117.38 107.79 1o8t n GLN 6 Ca -0.09 -1.76 -0.29 0.00 -0.00 0.00 0.00 57.00 54.86 1o8t n GLN 6 Cb 0.31 -2.99 0.21 0.00 0.00 0.00 0.00 30.24 27.76 1o8t n GLN 6 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1o8t s ASP 7 N 5.76 1.85 0.06 1.69 -4.77 -1.26 -4.96 116.67 115.04 1o8t s ASP 7 Ca 0.62 0.80 -0.31 0.00 -3.30 0.00 0.00 52.55 50.36 1o8t s ASP 7 Cb 0.12 -1.19 -0.07 0.00 -1.09 0.00 0.00 42.92 40.69 1o8t s ASP 7 CO 0.17 -3.57 1.37 -0.70 0.70 0.00 0.00 175.17 173.15 1o8t s GLU 8 N -5.30 4.32 0.55 2.11 -6.30 -1.26 -5.00 118.70 107.83 1o8t s GLU 8 Ca 0.69 2.00 -0.19 0.00 -2.50 0.00 0.00 54.97 54.96 1o8t s GLU 8 Cb -0.12 -3.39 -0.05 0.00 0.00 0.00 0.00 34.13 30.56 1o8t s GLU 8 CO 0.56 -0.47 1.14 0.00 0.02 0.00 0.00 175.26 176.51 1o8t s MET 9 N 1.63 3.28 -0.13 4.30 0.23 -1.26 -4.91 119.30 122.44 1o8t s MET 9 Ca 0.64 1.64 -0.31 0.00 -1.03 0.00 0.00 55.69 56.63 1o8t s MET 9 Cb -0.34 -1.99 -0.09 0.00 -1.53 0.00 0.00 34.83 30.88 1o8t s MET 9 CO 0.29 -0.91 2.06 -2.30 -2.03 0.00 0.00 175.02 172.13 1o8t n PRO 10 N -1.37 2.18 -1.79 3.16 -0.02 -1.26 -4.96 135.00 130.94 1o8t n PRO 10 Ca 0.12 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 62.00 1o8t n PRO 10 Cb 0.51 -2.93 0.04 0.00 -0.02 0.00 0.00 33.50 31.09 1o8t n PRO 10 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1o8t s SER 11 N 6.03 5.40 0.14 2.55 0.01 -1.26 -4.96 113.70 121.61 1o8t s SER 11 Ca 0.96 1.82 -0.32 0.00 1.31 0.00 0.00 55.95 59.72 1o8t s SER 11 Cb -0.52 -2.53 -0.12 0.00 0.21 0.00 0.00 66.02 63.07 1o8t s SER 11 CO 0.43 -1.43 1.75 -0.81 0.41 0.00 0.00 173.24 173.59 1o8t n PRO 12 N -2.52 2.60 -2.19 12.44 -0.04 -1.26 -4.91 135.00 139.13 1o8t n PRO 12 Ca 0.09 0.94 -0.43 0.00 -0.04 0.00 0.00 63.50 64.06 1o8t n PRO 12 Cb 0.53 -2.79 -0.02 0.00 -0.04 0.00 0.00 33.50 31.17 1o8t n PRO 12 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1o8t s THR 13 N 1.98 3.69 0.10 0.52 -4.23 -1.26 -4.76 115.64 111.67 1o8t s THR 13 Ca 0.80 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 62.00 1o8t s THR 13 Cb -0.55 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.33 1o8t s THR 13 CO 0.37 -0.63 0.00 0.49 -0.54 0.00 0.00 174.62 174.31 1o8t n PHE 14 N 9.63 -0.48 0.21 3.99 3.01 -1.26 -4.59 117.46 127.97 1o8t n PHE 14 Ca 0.19 0.08 -0.15 0.00 1.01 0.00 0.00 57.45 58.59 1o8t n PHE 14 Cb 0.48 0.17 -0.08 0.00 -0.01 0.00 0.00 39.48 40.03 1o8t n PHE 14 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1o8t h LEU 15 N 0.00 -0.43 -1.83 4.37 6.46 -2.02 -2.74 115.31 119.13 1o8t h LEU 15 Ca 0.00 -0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.76 1o8t h LEU 15 Cb 0.00 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1o8t h LEU 15 CO 0.00 -0.20 0.25 0.71 -0.62 0.00 0.00 178.44 178.57 1o8t h THR 16 N -0.64 0.93 -0.78 1.05 1.35 -1.94 -2.05 112.91 110.84 1o8t h THR 16 Ca -0.05 -0.07 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 1o8t h THR 16 Cb 0.46 0.70 -0.04 0.00 -1.73 0.00 0.00 68.15 67.54 1o8t h THR 16 CO 0.08 0.04 0.39 -0.61 -0.25 0.00 0.00 175.52 175.18 1o8t h GLN 17 N 0.21 1.10 -0.51 4.72 5.75 -1.74 -3.21 115.11 121.44 1o8t h GLN 17 Ca 0.16 -0.15 0.15 0.00 -0.15 0.00 0.00 58.65 58.66 1o8t h GLN 17 Cb 0.37 -0.20 -0.09 0.00 1.07 0.00 0.00 27.48 28.62 1o8t h GLN 17 CO -0.03 0.84 0.05 1.55 -2.65 0.00 0.00 178.83 178.59 1o8t n VAL 18 N -4.40 -0.21 0.01 2.39 3.14 -0.77 0.16 118.33 118.65 1o8t n VAL 18 Ca 0.07 1.10 -0.11 0.00 -2.96 0.00 0.00 64.34 62.44 1o8t n VAL 18 Cb 0.12 -1.63 -0.04 0.00 -1.06 0.00 0.00 33.84 31.23 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1o8t h LYS 19 N 0.00 -0.38 0.00 1.45 1.57 -1.76 -0.14 116.57 117.31 1o8t h LYS 19 Ca 0.32 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.09 1o8t h LYS 19 Cb 0.70 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1o8t h LYS 19 CO -0.46 -0.26 -0.21 0.93 -0.57 0.00 0.00 179.45 178.88 1o8t h GLU 20 N -0.40 0.00 -0.52 3.15 3.07 -0.52 -1.97 114.58 117.38 1o8t h GLU 20 Ca 0.09 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1o8t h GLU 20 Cb 0.54 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1o8t h GLU 20 CO -0.34 0.21 0.23 1.03 -1.40 0.00 0.00 179.01 178.74 1o8t h SER 21 N 0.00 0.70 -0.10 1.42 0.87 -0.60 -1.78 113.55 114.06 1o8t h SER 21 Ca -0.00 -0.15 -0.17 0.00 -1.23 0.00 0.00 61.79 60.24 1o8t h SER 21 Cb 0.37 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1o8t h SER 21 CO 0.03 0.66 -0.53 -0.07 -0.53 0.00 0.00 176.83 176.38 1o8t h LEU 22 N 0.70 0.75 0.53 2.23 3.38 -0.67 -2.44 115.31 119.80 1o8t h LEU 22 Ca 0.18 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1o8t h LEU 22 Cb 0.16 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1o8t h LEU 22 CO -0.02 1.14 -0.30 0.28 0.09 0.00 0.00 178.44 179.63 1o8t h SER 23 N 0.53 -0.73 0.37 -0.43 0.02 -1.15 0.28 113.55 112.44 1o8t h SER 23 Ca 0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1o8t h SER 23 Cb 1.10 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1o8t h SER 23 CO 0.11 -0.48 0.00 0.28 -1.14 0.00 0.00 176.83 175.60 1o8t h SER 24 N -0.77 0.00 0.19 3.07 0.02 -1.38 -2.41 113.55 112.26 1o8t h SER 24 Ca -0.07 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.64 1o8t h SER 24 Cb 0.62 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.19 1o8t h SER 24 CO 0.09 0.00 -1.09 0.22 -1.14 0.00 0.00 176.83 174.91 1o8t h TYR 25 N 0.00 0.74 -0.44 3.45 5.03 -0.82 -3.32 116.97 121.61 1o8t h TYR 25 Ca 0.00 -0.53 -0.05 0.00 2.58 0.00 0.00 58.73 60.73 1o8t h TYR 25 Cb 0.19 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1o8t h TYR 25 CO 0.00 1.41 0.07 -1.49 -1.32 0.00 0.00 178.16 176.83 1o8t h TRP 26 N -0.15 0.70 -0.89 -3.82 -0.00 -0.48 -0.05 115.95 111.26 1o8t h TRP 26 Ca -0.19 -0.07 0.08 0.00 -0.00 0.00 0.00 58.89 58.72 1o8t h TRP 26 Cb 1.86 -0.20 -0.11 0.00 -0.00 0.00 0.00 29.16 30.70 1o8t h TRP 26 CO 0.17 0.62 -0.58 0.93 -0.00 0.00 0.00 178.44 179.58 1o8t h GLU 27 N 0.65 -0.07 -0.00 0.49 4.39 -1.58 0.52 114.58 118.99 1o8t h GLU 27 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1o8t h GLU 27 Cb 0.31 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1o8t h GLU 27 CO 0.00 -0.04 -0.47 0.45 -1.16 0.00 0.00 179.01 177.79 1o8t n SER 28 N -5.26 0.75 0.09 1.42 2.88 -1.20 -4.14 113.62 108.18 1o8t n SER 28 Ca 0.01 -0.55 0.05 0.00 -1.33 0.00 0.00 58.87 57.05 1o8t n SER 28 Cb 0.27 0.29 0.48 0.00 -0.75 0.00 0.00 64.21 64.50 1o8t n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1o8t h ALA 29 N 3.23 1.76 0.10 -1.46 0.00 0.11 -3.03 119.26 119.97 1o8t h ALA 29 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1o8t h ALA 29 Cb 0.51 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1o8t h ALA 29 CO 0.00 0.21 -0.36 -0.22 0.00 0.00 0.00 179.25 178.88 1o8t h LYS 30 N 0.35 -0.56 -1.05 0.00 3.11 -1.66 -0.69 116.57 116.07 1o8t h LYS 30 Ca 0.09 0.04 0.27 0.00 -2.81 0.00 0.00 60.65 58.24 1o8t h LYS 30 Cb 0.02 0.13 -0.10 0.00 -1.00 0.00 0.00 32.23 31.28 1o8t h LYS 30 CO -0.01 -0.37 0.67 1.79 -2.81 0.00 0.00 179.45 178.71 1o8t h THR 31 N -0.58 0.50 -0.53 1.00 1.35 -1.82 0.46 112.91 113.29 1o8t h THR 31 Ca 0.03 -0.14 -0.02 0.00 -0.55 0.00 0.00 66.41 65.74 1o8t h THR 31 Cb 0.62 0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.08 1o8t h THR 31 CO -0.23 0.07 0.25 0.00 -0.25 0.00 0.00 175.52 175.37 1o8t h ALA 32 N 1.63 0.68 -0.38 6.62 0.00 -1.20 -0.53 119.26 126.09 1o8t h ALA 32 Ca 0.61 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.48 1o8t h ALA 32 Cb 1.54 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 1o8t h ALA 32 CO -0.33 0.24 -0.29 0.00 0.00 0.00 0.00 179.25 178.88 1o8t h ALA 33 N 1.09 -0.11 -0.57 0.00 0.00 0.70 0.49 119.26 120.87 1o8t h ALA 33 Ca 0.18 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1o8t h ALA 33 Cb 0.12 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1o8t h ALA 33 CO -0.02 -0.68 0.09 1.96 0.00 0.00 0.00 179.25 180.60 1o8t h GLN 34 N -0.23 0.91 0.00 0.00 7.50 -1.35 -1.88 115.11 120.06 1o8t h GLN 34 Ca 0.18 -0.22 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 1o8t h GLN 34 Cb 0.51 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 27.92 1o8t h GLN 34 CO -0.51 0.85 -0.06 -0.97 -1.50 0.00 0.00 178.83 176.63 1o8t h ASN 35 N 0.86 0.00 -0.32 1.46 -1.24 0.79 -1.67 115.58 115.45 1o8t h ASN 35 Ca 0.18 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.23 1o8t h ASN 35 Cb 0.38 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.39 1o8t h ASN 35 CO 0.01 0.06 0.06 0.25 -1.29 0.00 0.00 177.43 176.52 1o8t h LEU 36 N 0.00 0.01 -0.97 0.34 5.85 0.73 0.26 115.31 121.53 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1o8t h LEU 36 Cb 0.14 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1o8t h LEU 36 CO 0.01 0.04 0.20 1.88 -0.34 0.00 0.00 178.44 180.23 1o8t h TYR 37 N 0.18 0.97 0.53 1.25 0.05 -1.37 -2.78 116.97 115.79 1o8t h TYR 37 Ca 0.15 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1o8t h TYR 37 Cb 0.17 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 1o8t h TYR 37 CO -0.18 0.78 -0.34 0.93 -1.05 0.00 0.00 178.16 178.29 1o8t h GLU 38 N 0.92 -0.79 0.00 4.88 5.08 -0.29 -2.63 114.58 121.75 1o8t h GLU 38 Ca 0.21 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1o8t h GLU 38 Cb 0.25 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1o8t h GLU 38 CO -0.01 -0.53 0.01 0.36 -1.00 0.00 0.00 179.01 177.85 1o8t n LYS 39 N -4.51 0.05 0.20 2.33 2.85 0.68 -2.48 118.16 117.27 1o8t n LYS 39 Ca -0.10 0.55 -0.15 0.00 -1.05 0.00 0.00 58.31 57.56 1o8t n LYS 39 Cb 0.34 -1.70 -0.08 0.00 -0.65 0.00 0.00 35.03 32.95 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1o8t h THR 40 N 0.00 0.67 -0.42 0.58 2.02 -1.17 -3.04 112.91 111.55 1o8t h THR 40 Ca 0.00 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1o8t h THR 40 Cb 0.03 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1o8t h THR 40 CO 0.00 0.05 -0.08 1.88 0.37 0.00 0.00 175.52 177.74 1o8t h TYR 41 N -0.60 0.79 -3.59 3.16 0.05 -1.58 -3.44 116.97 111.76 1o8t h TYR 41 Ca -0.05 -0.13 -0.53 0.00 0.05 0.00 0.00 58.73 58.08 1o8t h TYR 41 Cb 0.44 -0.21 0.06 0.00 1.01 0.00 0.00 36.73 38.03 1o8t h TYR 41 CO -0.02 0.78 0.71 -0.51 -1.05 0.00 0.00 178.16 178.07 1o8t s LEU 42 N -9.03 4.40 -0.43 3.88 1.43 -1.15 -4.94 118.68 112.84 1o8t s LEU 42 Ca -0.09 2.67 -0.01 0.00 -1.03 0.00 0.00 54.13 55.67 1o8t s LEU 42 Cb 0.14 -3.63 0.28 0.00 0.03 0.00 0.00 46.19 43.01 1o8t s LEU 42 CO 0.81 -0.64 2.04 -0.81 0.23 0.00 0.00 176.35 177.99 1o8t n PRO 43 N 1.71 2.08 0.19 1.29 -0.04 -1.26 -4.59 135.00 134.38 1o8t n PRO 43 Ca 0.04 -2.10 0.14 0.00 -0.04 0.00 0.00 63.50 61.54 1o8t n PRO 43 Cb 0.41 -1.83 0.64 0.00 -0.04 0.00 0.00 33.50 32.68 1o8t n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1o8t h ALA 44 N 1.68 1.00 -0.17 0.55 0.00 -1.92 -3.37 119.26 117.02 1o8t h ALA 44 Ca 0.39 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.31 1o8t h ALA 44 Cb 0.87 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1o8t h ALA 44 CO 1.01 0.00 -0.10 1.33 0.00 0.00 0.00 179.25 181.49 1o8t n VAL 45 N -2.47 -0.12 0.08 0.00 0.24 -1.26 0.37 118.33 115.17 1o8t n VAL 45 Ca 0.00 0.74 -0.03 0.00 -2.04 0.00 0.00 64.34 63.02 1o8t n VAL 45 Cb 0.16 -0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 31.52 1o8t n VAL 45 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1o8t h ASP 46 N 0.00 0.00 0.52 -1.34 5.19 -2.00 -3.15 116.42 115.64 1o8t h ASP 46 Ca 0.03 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 1o8t h ASP 46 Cb 0.07 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.59 1o8t h ASP 46 CO -0.16 0.76 -0.25 -0.33 -3.12 0.00 0.00 179.24 176.14 1o8t h GLU 47 N 0.00 -0.67 -0.04 3.56 3.07 -0.68 -2.57 114.58 117.25 1o8t h GLU 47 Ca -0.05 0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1o8t h GLU 47 Cb 1.62 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 29.68 1o8t h GLU 47 CO 0.09 -0.45 0.04 0.87 -1.40 0.00 0.00 179.01 178.17 1o8t h LYS 48 N -1.01 0.00 0.63 2.33 1.79 -0.27 0.29 116.57 120.34 1o8t h LYS 48 Ca -0.07 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1o8t h LYS 48 Cb 0.53 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1o8t h LYS 48 CO 0.12 0.00 -0.30 1.25 -1.08 0.00 0.00 179.45 179.43 1o8t h LEU 49 N 0.00 -0.72 -1.43 2.94 7.12 -1.52 -0.47 115.31 121.23 1o8t h LEU 49 Ca 0.02 0.02 -0.04 0.00 0.13 0.00 0.00 57.88 58.02 1o8t h LEU 49 Cb 0.11 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 1o8t h LEU 49 CO -0.00 -0.45 -0.01 0.03 -0.13 0.00 0.00 178.44 177.88 1o8t h ARG 50 N -0.97 0.36 0.52 1.25 3.08 -1.16 -1.16 114.38 116.30 1o8t h ARG 50 Ca -0.09 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1o8t h ARG 50 Cb 0.65 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1o8t h ARG 50 CO 0.14 0.40 -0.45 0.22 -1.07 0.00 0.00 179.97 179.21 1o8t h ASP 51 N 0.35 -1.20 0.72 7.04 3.58 -0.30 -1.00 116.42 125.60 1o8t h ASP 51 Ca 0.08 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.59 1o8t h ASP 51 Cb 0.25 0.39 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 1o8t h ASP 51 CO 0.01 -0.63 -0.15 -0.07 -2.88 0.00 0.00 179.24 175.51 1o8t h LEU 52 N -0.96 0.00 -0.62 2.28 4.07 -0.96 -2.90 115.31 116.22 1o8t h LEU 52 Ca -0.06 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.78 1o8t h LEU 52 Cb 0.82 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 1o8t h LEU 52 CO -0.02 0.15 -0.17 1.88 -1.08 0.00 0.00 178.44 179.20 1o8t h TYR 53 N 0.00 1.03 -0.04 1.13 0.05 -0.62 -1.70 116.97 116.83 1o8t h TYR 53 Ca -0.00 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 1o8t h TYR 53 Cb 0.56 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.04 1o8t h TYR 53 CO 0.00 1.01 0.02 0.77 -1.05 0.00 0.00 178.16 178.91 1o8t h SER 54 N 0.80 0.04 -0.63 3.88 0.02 -0.99 -1.94 113.55 114.73 1o8t h SER 54 Ca 0.12 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1o8t h SER 54 Cb 0.71 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1o8t h SER 54 CO 0.05 0.08 0.33 0.11 -1.14 0.00 0.00 176.83 176.27 1o8t h LYS 55 N 0.00 0.89 0.00 3.45 6.56 -1.59 -2.30 116.57 123.60 1o8t h LYS 55 Ca 0.01 -0.11 -0.00 0.00 -1.06 0.00 0.00 60.65 59.49 1o8t h LYS 55 Cb 0.04 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 31.53 1o8t h LYS 55 CO -0.00 0.69 -0.02 1.03 -2.06 0.00 0.00 179.45 179.09 1o8t h SER 56 N 0.87 0.00 -0.23 0.86 0.87 -1.07 -1.99 113.55 112.86 1o8t h SER 56 Ca 0.22 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1o8t h SER 56 Cb 0.07 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1o8t h SER 56 CO -0.03 0.02 0.08 0.74 -0.53 0.00 0.00 176.83 177.11 1o8t h THR 57 N 0.00 0.95 0.12 2.23 2.02 -0.75 0.52 112.91 118.00 1o8t h THR 57 Ca -0.00 -0.06 -0.32 0.00 0.77 0.00 0.00 66.41 66.79 1o8t h THR 57 Cb 0.16 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1o8t h THR 57 CO 0.00 0.03 -1.71 0.00 0.37 0.00 0.00 175.52 174.22 1o8t h ALA 58 N 1.14 0.29 0.66 6.16 0.00 -1.66 -3.26 119.26 122.59 1o8t h ALA 58 Ca 0.10 -1.24 -0.03 0.00 0.00 0.00 0.00 54.91 53.74 1o8t h ALA 58 Cb 0.06 0.60 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1o8t h ALA 58 CO -0.10 1.05 -0.32 0.00 0.00 0.00 0.00 179.25 179.89 1o8t h ALA 59 N -0.02 -0.88 0.00 0.00 0.00 -1.40 -2.96 119.26 114.00 1o8t h ALA 59 Ca -0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1o8t h ALA 59 Cb 1.89 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 20.02 1o8t h ALA 59 CO 0.06 -0.94 -0.04 1.98 0.00 0.00 0.00 179.25 180.32 1o8t h MET 60 N -1.01 0.00 0.00 0.00 -1.53 -1.10 -1.64 114.93 109.65 1o8t h MET 60 Ca -0.09 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.17 1o8t h MET 60 Cb 0.71 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.76 1o8t h MET 60 CO 0.15 0.04 0.00 1.03 0.14 0.00 0.00 176.91 178.27 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.87 -1.56 -0.45 113.55 113.80 1o8t h SER 61 Ca -0.00 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.16 1o8t h SER 61 Cb 0.12 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 1o8t h SER 61 CO 0.00 0.00 -2.25 0.41 -0.53 0.00 0.00 176.83 174.46 1o8t n THR 62 N -2.59 1.53 0.27 2.23 -1.04 -0.64 -4.32 114.28 109.72 1o8t n THR 62 Ca 0.00 -0.30 0.06 0.00 -2.04 0.00 0.00 64.05 61.77 1o8t n THR 62 Cb 0.20 -1.94 0.26 0.00 -1.82 0.00 0.00 70.33 67.03 1o8t n THR 62 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1o8t n TYR 63 N -4.29 0.20 0.25 -1.42 4.01 -1.08 -2.09 117.16 112.74 1o8t n TYR 63 Ca -0.49 0.09 -0.11 0.00 -0.16 0.00 0.00 57.90 57.24 1o8t n TYR 63 Cb 0.83 -0.64 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 1o8t n TYR 63 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1o8t h THR 64 N 0.00 0.00 -0.44 -0.72 1.35 -1.26 0.57 112.91 112.40 1o8t h THR 64 Ca 0.00 -0.45 -0.07 0.00 -0.55 0.00 0.00 66.41 65.34 1o8t h THR 64 Cb 0.15 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.55 1o8t h THR 64 CO 0.00 0.00 0.00 1.23 -0.25 0.00 0.00 175.52 176.50 1o8t h GLY 65 N -1.15 0.77 0.83 5.82 0.00 -1.76 -1.86 103.07 105.73 1o8t h GLY 65 Ca -0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1o8t h GLY 65 CO 0.12 0.46 -0.38 -2.22 0.00 0.00 0.00 176.54 174.52 1o8t h ILE 66 N 0.68 0.04 -0.22 2.60 5.03 -1.45 0.02 117.51 124.21 1o8t h ILE 66 Ca 0.14 -0.19 0.06 0.00 -0.12 0.00 0.00 64.86 64.74 1o8t h ILE 66 Cb 0.42 0.06 -0.07 0.00 -3.03 0.00 0.00 36.82 34.19 1o8t h ILE 66 CO 0.02 0.00 -0.30 -0.26 -0.68 0.00 0.00 178.15 176.93 1o8t h PHE 67 N -1.26 -0.84 0.00 1.37 0.04 0.18 0.81 116.94 117.25 1o8t h PHE 67 Ca -0.11 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1o8t h PHE 67 Cb 0.83 0.40 0.00 0.00 2.20 0.00 0.00 35.95 39.38 1o8t h PHE 67 CO -0.00 -0.38 0.00 1.79 -0.60 0.00 0.00 178.31 179.12 1o8t h THR 68 N -0.33 0.00 0.65 -1.55 1.35 -1.38 -3.02 112.91 108.63 1o8t h THR 68 Ca 0.12 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.75 1o8t h THR 68 Cb 0.52 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1o8t h THR 68 CO -0.41 0.00 -0.46 -0.78 -0.25 0.00 0.00 175.52 173.62 1o8t h ASP 69 N 0.00 -1.20 0.80 5.36 1.82 0.12 0.15 116.42 123.47 1o8t h ASP 69 Ca 0.00 0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1o8t h ASP 69 Cb 0.22 0.37 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1o8t h ASP 69 CO 0.00 -0.68 -0.19 -0.61 -1.61 0.00 0.00 179.24 176.15 1o8t h GLN 70 N -1.07 0.00 0.30 0.28 5.75 -1.54 -2.17 115.11 116.66 1o8t h GLN 70 Ca -0.08 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1o8t h GLN 70 Cb 0.88 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.43 1o8t h GLN 70 CO 0.04 0.19 -0.14 0.28 -2.65 0.00 0.00 178.83 176.55 1o8t h VAL 71 N 0.00 0.69 -0.78 2.39 2.07 -1.34 -2.16 116.25 117.11 1o8t h VAL 71 Ca -0.00 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 66.93 1o8t h VAL 71 Cb 0.64 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1o8t h VAL 71 CO 0.02 0.13 0.51 -0.07 0.02 0.00 0.00 177.57 178.18 1o8t h LEU 72 N -0.79 0.70 -1.07 2.57 4.07 -0.66 -0.16 115.31 119.98 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.98 1o8t h LEU 72 Cb 0.51 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.05 1o8t h LEU 72 CO 0.07 0.44 0.62 0.77 -1.08 0.00 0.00 178.44 179.26 1o8t h SER 73 N 0.79 1.00 0.97 -0.43 4.64 -1.22 0.10 113.55 119.40 1o8t h SER 73 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1o8t h SER 73 Cb 0.33 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1o8t h SER 73 CO -0.13 0.66 0.00 0.58 -0.87 0.00 0.00 176.83 177.07 1o8t h VAL 74 N 1.14 0.00 -0.70 0.95 2.07 -0.36 -2.97 116.25 116.38 1o8t h VAL 74 Ca 0.40 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1o8t h VAL 74 Cb 0.11 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1o8t h VAL 74 CO -0.14 0.00 0.17 0.25 0.02 0.00 0.00 177.57 177.87 1o8t h LEU 75 N 0.00 1.06 -0.37 2.57 5.85 -0.44 0.21 115.31 124.19 1o8t h LEU 75 Ca 0.00 -0.22 -0.18 0.00 0.84 0.00 0.00 57.88 58.32 1o8t h LEU 75 Cb 0.48 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1o8t h LEU 75 CO 0.00 1.01 -0.55 0.50 -0.34 0.00 0.00 178.44 179.06 1o8t h LYS 76 N 1.06 0.78 0.03 1.25 3.64 -1.52 -2.72 116.57 119.10 1o8t h LYS 76 Ca 0.22 -0.49 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1o8t h LYS 76 Cb 0.36 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1o8t h LYS 76 CO 0.00 1.12 -0.02 0.78 -2.27 0.00 0.00 179.45 179.07 1o8t h GLY 77 N 0.81 -0.05 -4.78 5.01 0.00 -1.51 -3.43 103.07 99.11 1o8t h GLY 77 Ca 0.01 0.02 -0.20 0.00 0.00 0.00 0.00 47.33 47.16 1o8t h GLY 77 CO 0.12 -0.02 -0.73 -2.21 0.00 0.00 0.00 176.54 173.70 1o8t n GLU 78 N -2.18 1.30 -0.77 4.80 4.07 -0.45 -5.12 120.64 122.30 1o8t n GLU 78 Ca -0.01 -2.32 0.00 0.00 -0.06 0.00 0.00 57.16 54.78 1o8t n GLU 78 Cb 0.02 -0.54 0.00 0.00 -0.06 0.00 0.00 31.44 30.86 1o8t n GLU 78 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46