#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 4.32 -0.13 1.09 -0.44 -1.26 -5.04 119.66 118.21 1o8t s GLN 2 Ca 0.00 1.45 -0.02 0.00 -2.50 0.00 0.00 55.36 54.30 1o8t s GLN 2 Cb 0.00 -3.61 -0.02 0.00 -1.64 0.00 0.00 33.01 27.73 1o8t s GLN 2 CO 0.00 -0.51 -0.07 -0.65 0.50 0.00 0.00 175.29 174.56 1o8t s GLN 3 N 2.70 3.39 -1.13 1.67 1.11 -1.26 -5.04 119.66 121.10 1o8t s GLN 3 Ca 0.49 -0.57 -0.22 0.00 0.01 0.00 0.00 55.36 55.06 1o8t s GLN 3 Cb -0.18 -2.77 -0.03 0.00 -1.01 0.00 0.00 33.01 29.02 1o8t s GLN 3 CO 0.13 0.33 1.85 -1.25 0.01 0.00 0.00 175.29 176.36 1o8t s PRO 4 N 0.09 2.92 0.69 2.91 0.04 -1.26 -4.96 135.00 135.43 1o8t s PRO 4 Ca -0.02 -1.13 -0.12 0.00 0.04 0.00 0.00 61.00 59.77 1o8t s PRO 4 Cb -0.14 -5.27 0.01 0.00 0.04 0.00 0.00 34.50 29.14 1o8t s PRO 4 CO 0.03 -3.32 1.08 -0.65 0.04 0.00 0.00 177.00 174.18 1o8t s GLN 5 N 5.99 2.80 1.26 4.56 -0.21 -1.26 -5.05 119.66 127.75 1o8t s GLN 5 Ca 0.64 1.13 -0.20 0.00 0.02 0.00 0.00 55.36 56.95 1o8t s GLN 5 Cb -0.01 -1.97 0.31 0.00 1.00 0.00 0.00 33.01 32.34 1o8t s GLN 5 CO 0.07 -1.22 1.07 -0.65 -2.12 0.00 0.00 175.29 172.43 1o8t s GLN 6 N -4.66 -1.65 0.28 2.91 -1.52 -1.26 -4.97 119.66 108.79 1o8t s GLN 6 Ca 0.61 -0.02 -0.29 0.00 -1.95 0.00 0.00 55.36 53.71 1o8t s GLN 6 Cb -0.16 -1.54 -0.10 0.00 -0.22 0.00 0.00 33.01 30.99 1o8t s GLN 6 CO 0.50 -4.00 1.20 0.34 -0.25 0.00 0.00 175.29 173.08 1o8t s ASP 7 N -3.72 7.04 0.56 5.90 2.15 -1.26 -5.01 116.67 122.34 1o8t s ASP 7 Ca 0.70 2.43 -0.19 0.00 0.43 0.00 0.00 52.55 55.93 1o8t s ASP 7 Cb -0.10 -2.63 -0.05 0.00 -0.30 0.00 0.00 42.92 39.83 1o8t s ASP 7 CO 0.57 -0.34 1.12 -1.83 -0.17 0.00 0.00 175.17 174.52 1o8t s GLU 8 N -1.35 3.29 0.62 4.34 4.04 -1.26 -5.01 118.70 123.37 1o8t s GLU 8 Ca 0.48 1.54 -0.17 0.00 0.04 0.00 0.00 54.97 56.86 1o8t s GLU 8 Cb -0.35 -2.00 -0.02 0.00 0.02 0.00 0.00 34.13 31.78 1o8t s GLU 8 CO 0.45 -0.89 1.13 -1.64 -1.84 0.00 0.00 175.26 172.47 1o8t s MET 9 N -3.45 2.94 0.20 -4.83 -1.94 -1.26 -4.94 119.30 106.03 1o8t s MET 9 Ca 0.71 1.51 -0.32 0.00 -1.71 0.00 0.00 55.69 55.87 1o8t s MET 9 Cb -0.22 -1.96 -0.15 0.00 2.01 0.00 0.00 34.83 34.51 1o8t s MET 9 CO 0.29 -1.16 1.27 -2.30 -0.01 0.00 0.00 175.02 173.11 1o8t n PRO 10 N -2.04 1.51 0.09 2.03 -0.02 -1.26 -4.94 135.00 130.37 1o8t n PRO 10 Ca 0.11 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1o8t n PRO 10 Cb 0.51 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 1o8t n PRO 10 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1o8t h SER 11 N 3.76 -0.26 -2.52 2.55 0.02 -2.05 -3.42 113.55 111.63 1o8t h SER 11 Ca -0.44 -0.23 -0.54 0.00 -0.84 0.00 0.00 61.79 59.75 1o8t h SER 11 Cb 1.32 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.88 1o8t h SER 11 CO 0.73 0.25 1.22 -2.16 -1.14 0.00 0.00 176.83 175.73 1o8t s PRO 12 N -3.31 3.09 0.27 3.45 0.04 -1.26 -4.98 135.00 132.30 1o8t s PRO 12 Ca -0.11 0.69 -0.29 0.00 0.04 0.00 0.00 61.00 61.33 1o8t s PRO 12 Cb 0.01 -4.22 -0.09 0.00 0.04 0.00 0.00 34.50 30.23 1o8t s PRO 12 CO 0.38 -2.18 1.18 -0.08 0.04 0.00 0.00 177.00 176.34 1o8t s THR 13 N 7.19 3.29 0.00 1.26 -1.32 -1.26 -2.74 115.64 122.06 1o8t s THR 13 Ca 0.62 1.25 0.00 0.00 -1.21 0.00 0.00 61.69 62.35 1o8t s THR 13 Cb -0.14 -3.80 0.00 0.00 -1.51 0.00 0.00 72.50 67.06 1o8t s THR 13 CO 0.25 0.28 0.00 0.49 -2.21 0.00 0.00 174.62 173.43 1o8t n PHE 14 N 1.38 0.00 -0.08 9.09 3.72 -1.26 -4.67 117.46 125.64 1o8t n PHE 14 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1o8t n PHE 14 Cb 0.44 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 1o8t n PHE 14 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1o8t h LEU 15 N 0.00 0.34 -1.04 4.37 7.12 -1.99 -2.42 115.31 121.70 1o8t h LEU 15 Ca 0.00 -0.13 0.06 0.00 0.13 0.00 0.00 57.88 57.94 1o8t h LEU 15 Cb 0.00 -0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 39.98 1o8t h LEU 15 CO 0.00 0.37 0.64 0.74 -0.13 0.00 0.00 178.44 180.07 1o8t h THR 16 N 0.29 1.11 -0.54 1.05 2.02 -1.78 -2.33 112.91 112.73 1o8t h THR 16 Ca 0.09 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1o8t h THR 16 Cb 0.13 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.34 1o8t h THR 16 CO -0.01 0.22 0.28 -0.61 0.37 0.00 0.00 175.52 175.76 1o8t h GLN 17 N 1.18 0.76 -0.47 6.66 -0.00 -1.79 -3.21 115.11 118.25 1o8t h GLN 17 Ca 0.42 -0.10 0.14 0.00 -0.00 0.00 0.00 58.65 59.10 1o8t h GLN 17 Cb 0.12 -0.14 -0.09 0.00 0.00 0.00 0.00 27.48 27.37 1o8t h GLN 17 CO -0.15 0.61 0.03 0.28 0.00 0.00 0.00 178.83 179.60 1o8t n VAL 18 N -4.60 -0.20 -0.04 2.39 0.31 -0.87 0.20 118.33 115.52 1o8t n VAL 18 Ca 0.03 1.03 -0.09 0.00 -0.01 0.00 0.00 64.34 65.31 1o8t n VAL 18 Cb 0.10 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1o8t h LYS 19 N 0.00 -0.25 -0.14 5.55 6.56 -1.71 -0.24 116.57 126.34 1o8t h LYS 19 Ca 0.30 0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.86 1o8t h LYS 19 Cb 0.63 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.34 1o8t h LYS 19 CO -0.44 -0.17 -0.13 0.93 -2.06 0.00 0.00 179.45 177.59 1o8t h GLU 20 N -0.26 0.21 -0.82 3.15 3.07 -0.48 -2.40 114.58 117.05 1o8t h GLU 20 Ca 0.13 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 1o8t h GLU 20 Cb 0.47 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 1o8t h GLU 20 CO -0.38 0.35 0.36 0.66 -1.40 0.00 0.00 179.01 178.60 1o8t h SER 21 N 0.20 1.09 0.03 1.42 4.64 -0.77 -2.55 113.55 117.62 1o8t h SER 21 Ca 0.04 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 61.06 1o8t h SER 21 Cb 0.36 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1o8t h SER 21 CO 0.02 0.94 -0.53 -0.07 -0.87 0.00 0.00 176.83 176.33 1o8t h LEU 22 N 1.17 0.60 0.57 5.97 3.38 -0.65 -2.56 115.31 123.80 1o8t h LEU 22 Ca 0.28 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1o8t h LEU 22 Cb 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1o8t h LEU 22 CO -0.03 1.02 -0.32 0.28 0.09 0.00 0.00 178.44 179.48 1o8t h SER 23 N 0.42 -0.78 0.36 -0.43 0.02 -1.14 -0.44 113.55 111.56 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 1.06 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1o8t h SER 23 CO 0.10 -0.51 0.00 0.28 -1.14 0.00 0.00 176.83 175.55 1o8t h SER 24 N -0.83 0.00 0.19 3.07 0.02 -1.52 -2.36 113.55 112.12 1o8t h SER 24 Ca -0.07 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.57 1o8t h SER 24 Cb 0.66 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.23 1o8t h SER 24 CO 0.10 0.00 -1.31 0.22 -1.14 0.00 0.00 176.83 174.69 1o8t h TYR 25 N 0.00 0.95 -0.66 3.45 3.20 -0.90 -3.31 116.97 119.70 1o8t h TYR 25 Ca 0.00 -0.66 -0.05 0.00 3.14 0.00 0.00 58.73 61.16 1o8t h TYR 25 Cb 0.18 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1o8t h TYR 25 CO 0.00 1.50 0.19 -1.49 -1.64 0.00 0.00 178.16 176.73 1o8t h TRP 26 N 0.13 1.05 -0.90 -3.82 4.06 -0.57 0.29 115.95 116.20 1o8t h TRP 26 Ca -0.22 -0.10 0.09 0.00 2.06 0.00 0.00 58.89 60.72 1o8t h TRP 26 Cb 2.01 -0.31 -0.12 0.00 -1.00 0.00 0.00 29.16 29.75 1o8t h TRP 26 CO 0.13 0.84 -0.56 0.93 -3.56 0.00 0.00 178.44 176.23 1o8t h GLU 27 N 0.98 -0.06 0.00 0.49 3.07 -1.61 0.15 114.58 117.60 1o8t h GLU 27 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1o8t h GLU 27 Cb 0.30 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1o8t h GLU 27 CO -0.01 -0.04 -0.47 0.43 -1.40 0.00 0.00 179.01 177.52 1o8t n SER 28 N -5.30 0.52 -0.18 1.42 7.64 -1.19 -4.02 113.62 112.51 1o8t n SER 28 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1o8t n SER 28 Cb 0.29 0.10 0.25 0.00 -1.01 0.00 0.00 64.21 63.84 1o8t n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1o8t h ALA 29 N 2.80 1.44 -0.32 -0.43 0.00 0.15 -2.84 119.26 120.06 1o8t h ALA 29 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1o8t h ALA 29 Cb 0.60 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1o8t h ALA 29 CO 0.00 0.49 -0.09 -0.22 0.00 0.00 0.00 179.25 179.42 1o8t h LYS 30 N 0.94 -0.02 -1.03 0.00 3.11 -1.58 0.01 116.57 118.00 1o8t h LYS 30 Ca 0.25 0.00 0.26 0.00 -2.81 0.00 0.00 60.65 58.35 1o8t h LYS 30 Cb -0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 32.23 31.09 1o8t h LYS 30 CO -0.05 -0.01 0.64 1.15 -2.81 0.00 0.00 179.45 178.37 1o8t h THR 31 N -0.02 0.51 -0.62 1.00 2.02 -1.76 0.43 112.91 114.48 1o8t h THR 31 Ca 0.16 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1o8t h THR 31 Cb 0.25 -0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 1o8t h THR 31 CO -0.34 0.09 0.29 0.00 0.37 0.00 0.00 175.52 175.93 1o8t h ALA 32 N 1.68 0.81 -0.21 6.16 0.00 -1.04 -0.52 119.26 126.14 1o8t h ALA 32 Ca 0.63 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.45 1o8t h ALA 32 Cb 1.41 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1o8t h ALA 32 CO -0.39 0.38 -0.44 0.00 0.00 0.00 0.00 179.25 178.80 1o8t h ALA 33 N 1.13 -0.58 -0.46 0.00 0.00 0.27 0.58 119.26 120.20 1o8t h ALA 33 Ca 0.21 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1o8t h ALA 33 Cb 0.13 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1o8t h ALA 33 CO -0.03 -0.93 0.03 0.37 0.00 0.00 0.00 179.25 178.70 1o8t h GLN 34 N -0.45 0.73 0.00 0.00 -0.00 -1.44 -1.87 115.11 112.08 1o8t h GLN 34 Ca 0.09 -0.17 -0.02 0.00 -0.00 0.00 0.00 58.65 58.55 1o8t h GLN 34 Cb 0.62 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 28.00 1o8t h GLN 34 CO -0.45 0.72 -0.08 -0.91 0.00 0.00 0.00 178.83 178.10 1o8t h ASN 35 N 0.69 0.00 -0.42 -0.69 4.21 0.63 -1.54 115.58 118.45 1o8t h ASN 35 Ca 0.14 0.00 0.05 0.00 1.21 0.00 0.00 56.30 57.71 1o8t h ASN 35 Cb 0.38 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.53 1o8t h ASN 35 CO 0.01 0.08 0.15 0.25 -1.29 0.00 0.00 177.43 176.63 1o8t h LEU 36 N 0.00 0.15 -1.21 1.61 5.85 0.96 0.16 115.31 122.83 1o8t h LEU 36 Ca -0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1o8t h LEU 36 Cb 0.15 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1o8t h LEU 36 CO 0.01 0.12 0.08 1.88 -0.34 0.00 0.00 178.44 180.19 1o8t h TYR 37 N 0.31 0.64 0.47 1.25 -1.99 -1.33 -2.45 116.97 113.87 1o8t h TYR 37 Ca 0.20 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.85 1o8t h TYR 37 Cb 0.19 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 1o8t h TYR 37 CO -0.15 0.57 -0.29 0.93 -0.00 0.00 0.00 178.16 179.21 1o8t h GLU 38 N 0.61 -0.69 0.00 4.88 5.08 -0.21 -2.72 114.58 121.52 1o8t h GLU 38 Ca 0.14 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1o8t h GLU 38 Cb 0.27 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1o8t h GLU 38 CO 0.00 -0.46 0.00 0.36 -1.00 0.00 0.00 179.01 177.91 1o8t n LYS 39 N -4.16 0.05 0.03 2.33 2.85 -0.01 -2.63 118.16 116.61 1o8t n LYS 39 Ca -0.09 0.28 -0.13 0.00 -1.05 0.00 0.00 58.31 57.33 1o8t n LYS 39 Cb 0.30 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.09 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 1.16 -0.22 0.58 2.02 -1.10 -3.21 112.91 112.14 1o8t h THR 40 Ca 0.00 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1o8t h THR 40 Cb 0.05 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1o8t h THR 40 CO 0.00 0.15 0.01 1.88 0.37 0.00 0.00 175.52 177.93 1o8t h TYR 41 N -0.30 0.42 -3.67 3.16 0.05 -1.61 -3.44 116.97 111.60 1o8t h TYR 41 Ca -0.00 -0.07 -0.51 0.00 0.05 0.00 0.00 58.73 58.20 1o8t h TYR 41 Cb 0.28 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 37.91 1o8t h TYR 41 CO 0.01 0.56 0.47 -0.51 -1.05 0.00 0.00 178.16 177.64 1o8t s LEU 42 N -9.51 4.52 -0.43 3.88 1.43 -1.21 -4.96 118.68 112.40 1o8t s LEU 42 Ca -0.14 2.15 -0.02 0.00 -1.03 0.00 0.00 54.13 55.10 1o8t s LEU 42 Cb 0.07 -3.61 0.26 0.00 0.03 0.00 0.00 46.19 42.94 1o8t s LEU 42 CO 0.74 -0.17 2.10 -0.81 0.23 0.00 0.00 176.35 178.45 1o8t n PRO 43 N 1.87 2.11 0.20 1.29 -0.04 -1.26 -4.60 135.00 134.57 1o8t n PRO 43 Ca 0.01 -2.13 0.14 0.00 -0.04 0.00 0.00 63.50 61.49 1o8t n PRO 43 Cb 0.46 -1.86 0.67 0.00 -0.04 0.00 0.00 33.50 32.73 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 1.81 1.00 -0.90 0.55 0.00 -1.93 -3.30 119.26 116.49 1o8t h ALA 44 Ca 0.39 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.47 1o8t h ALA 44 Cb 0.84 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.47 1o8t h ALA 44 CO 1.00 0.00 -0.25 -0.24 0.00 0.00 0.00 179.25 179.76 1o8t h VAL 45 N 0.00 0.09 0.01 0.00 3.04 -1.92 0.64 116.25 118.12 1o8t h VAL 45 Ca 0.00 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.48 1o8t h VAL 45 Cb 0.24 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.60 1o8t h VAL 45 CO 0.00 0.00 -0.93 -0.78 -1.01 0.00 0.00 177.57 174.85 1o8t h ASP 46 N -0.01 0.35 0.28 3.17 1.82 -1.99 -2.50 116.42 117.54 1o8t h ASP 46 Ca 0.41 -0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1o8t h ASP 46 Cb 0.64 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1o8t h ASP 46 CO -0.92 1.10 -0.14 -0.08 -1.61 0.00 0.00 179.24 177.60 1o8t h GLU 47 N 0.14 -0.37 0.00 0.28 4.57 -1.06 -2.79 114.58 115.35 1o8t h GLU 47 Ca -0.06 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1o8t h GLU 47 Cb 1.57 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 30.24 1o8t h GLU 47 CO 0.15 -0.04 -0.07 0.87 -1.18 0.00 0.00 179.01 178.74 1o8t h LYS 48 N -0.76 0.00 0.81 1.92 6.56 0.05 -0.02 116.57 125.13 1o8t h LYS 48 Ca -0.04 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.51 1o8t h LYS 48 Cb 0.50 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.17 1o8t h LYS 48 CO 0.06 0.07 -0.39 -0.07 -2.06 0.00 0.00 179.45 177.07 1o8t h LEU 49 N 0.00 -0.93 -1.31 2.94 3.38 -1.32 0.22 115.31 118.30 1o8t h LEU 49 Ca -0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1o8t h LEU 49 Cb 0.23 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1o8t h LEU 49 CO 0.01 -0.58 0.08 0.03 0.09 0.00 0.00 178.44 178.06 1o8t h ARG 50 N -1.25 0.54 0.61 1.13 -0.00 -1.33 -0.86 114.38 113.22 1o8t h ARG 50 Ca -0.11 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.98 59.25 1o8t h ARG 50 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.70 1o8t h ARG 50 CO 0.18 0.51 -0.49 0.22 0.00 0.00 0.00 179.97 180.40 1o8t h ASP 51 N 0.53 -1.29 0.75 7.04 3.58 -0.84 -1.94 116.42 124.25 1o8t h ASP 51 Ca 0.12 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 1o8t h ASP 51 Cb 0.22 0.41 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 1o8t h ASP 51 CO -0.00 -0.68 -0.04 -0.07 -2.88 0.00 0.00 179.24 175.56 1o8t h LEU 52 N -1.06 0.00 -0.19 2.28 4.07 -0.84 -3.03 115.31 116.54 1o8t h LEU 52 Ca -0.08 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 1o8t h LEU 52 Cb 0.89 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 1o8t h LEU 52 CO 0.01 0.04 -0.05 1.88 -1.08 0.00 0.00 178.44 179.24 1o8t h TYR 53 N 0.00 0.41 0.10 1.13 -1.99 -0.67 0.04 116.97 115.99 1o8t h TYR 53 Ca -0.00 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 1o8t h TYR 53 Cb 0.43 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.06 1o8t h TYR 53 CO 0.00 0.62 -0.05 0.77 -0.00 0.00 0.00 178.16 179.50 1o8t h SER 54 N 0.08 -0.12 -0.49 3.88 0.02 -1.25 -1.53 113.55 114.14 1o8t h SER 54 Ca 0.05 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1o8t h SER 54 Cb 0.49 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1o8t h SER 54 CO 0.02 -0.03 0.26 0.11 -1.14 0.00 0.00 176.83 176.05 1o8t h LYS 55 N -0.19 0.70 -0.33 3.45 1.57 -1.58 -2.87 116.57 117.31 1o8t h LYS 55 Ca -0.01 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1o8t h LYS 55 Cb 0.16 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1o8t h LYS 55 CO 0.02 0.56 0.07 0.66 -0.57 0.00 0.00 179.45 180.19 1o8t h SER 56 N 0.65 0.45 -0.82 0.86 4.64 -0.88 -2.81 113.55 115.64 1o8t h SER 56 Ca 0.17 -0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.47 1o8t h SER 56 Cb 0.07 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.00 1o8t h SER 56 CO -0.03 0.47 0.52 0.74 -0.87 0.00 0.00 176.83 177.66 1o8t h THR 57 N 0.48 1.10 0.12 2.95 2.02 -1.04 0.34 112.91 118.88 1o8t h THR 57 Ca 0.11 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1o8t h THR 57 Cb 0.21 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1o8t h THR 57 CO -0.00 0.18 -0.06 0.00 0.37 0.00 0.00 175.52 176.01 1o8t h ALA 58 N 1.36 -0.16 -0.44 6.16 0.00 -1.53 -2.62 119.26 122.02 1o8t h ALA 58 Ca 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1o8t h ALA 58 Cb 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1o8t h ALA 58 CO -0.13 -0.39 0.20 0.00 0.00 0.00 0.00 179.25 178.93 1o8t h ALA 59 N 0.22 0.56 0.00 0.00 0.00 -1.37 -2.46 119.26 116.21 1o8t h ALA 59 Ca -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1o8t h ALA 59 Cb 0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1o8t h ALA 59 CO 0.03 0.14 -0.03 1.98 0.00 0.00 0.00 179.25 181.36 1o8t h MET 60 N 0.56 0.00 0.00 0.00 -1.53 -0.39 -1.75 114.93 111.83 1o8t h MET 60 Ca 0.15 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.40 1o8t h MET 60 Cb 0.13 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.18 1o8t h MET 60 CO -0.02 0.03 -0.03 1.03 0.14 0.00 0.00 176.91 178.06 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.87 -1.04 -0.81 113.55 113.97 1o8t h SER 61 Ca -0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 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 0.03 -2.22 0.35 -0.53 0.00 0.00 176.83 174.46 1o8t n THR 62 N -3.17 1.20 0.29 2.23 -2.24 -0.72 -4.46 114.28 107.41 1o8t n THR 62 Ca -0.01 -0.35 0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1o8t n THR 62 Cb 0.24 -1.65 0.62 0.00 -2.10 0.00 0.00 70.33 67.45 1o8t n THR 62 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1o8t h TYR 63 N -0.59 0.00 0.49 4.78 0.05 -1.43 -1.60 116.97 118.68 1o8t h TYR 63 Ca -0.54 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.22 1o8t h TYR 63 Cb 1.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.29 1o8t h TYR 63 CO -0.05 0.00 -0.24 1.15 -1.05 0.00 0.00 178.16 177.98 1o8t h THR 64 N 0.00 0.10 -0.58 -2.88 2.02 -1.36 0.61 112.91 110.82 1o8t h THR 64 Ca 0.00 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 1o8t h THR 64 Cb 0.21 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1o8t h THR 64 CO 0.00 0.02 0.12 1.23 0.37 0.00 0.00 175.52 177.26 1o8t h GLY 65 N -1.14 0.99 0.78 2.16 0.00 -1.76 -1.44 103.07 102.66 1o8t h GLY 65 Ca -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 1o8t h GLY 65 CO 0.11 0.57 -0.37 -2.22 0.00 0.00 0.00 176.54 174.62 1o8t h ILE 66 N 0.88 0.00 -0.07 2.60 1.08 -1.33 0.63 117.51 121.30 1o8t h ILE 66 Ca 0.19 -0.17 0.04 0.00 -0.39 0.00 0.00 64.86 64.52 1o8t h ILE 66 Cb 0.35 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.04 1o8t h ILE 66 CO 0.00 0.00 -0.43 0.15 -0.69 0.00 0.00 178.15 177.18 1o8t h PHE 67 N -1.22 -1.24 0.00 1.37 3.57 0.26 0.04 116.94 119.73 1o8t h PHE 67 Ca -0.11 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1o8t h PHE 67 Cb 0.80 0.55 0.00 0.00 2.79 0.00 0.00 35.95 40.10 1o8t h PHE 67 CO 0.01 -0.49 0.00 1.15 -2.23 0.00 0.00 178.31 176.75 1o8t h THR 68 N -0.54 0.00 0.72 4.41 2.02 -1.33 -3.03 112.91 115.16 1o8t h THR 68 Ca 0.06 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1o8t h THR 68 Cb 0.65 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1o8t h THR 68 CO -0.37 0.00 -0.49 -0.78 0.37 0.00 0.00 175.52 174.25 1o8t h ASP 69 N 0.00 -1.26 0.76 4.18 1.82 0.12 0.30 116.42 122.34 1o8t h ASP 69 Ca 0.00 0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.67 1o8t h ASP 69 Cb 0.21 0.38 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1o8t h ASP 69 CO 0.00 -0.73 -0.23 -0.61 -1.61 0.00 0.00 179.24 176.06 1o8t h GLN 70 N -1.15 0.00 0.32 0.28 5.75 -1.55 -1.86 115.11 116.90 1o8t h GLN 70 Ca -0.10 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1o8t h GLN 70 Cb 0.94 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.49 1o8t h GLN 70 CO 0.07 0.23 -0.16 0.28 -2.65 0.00 0.00 178.83 176.60 1o8t h VAL 71 N 0.00 0.63 -0.67 2.39 2.07 -1.36 -2.22 116.25 117.09 1o8t h VAL 71 Ca -0.00 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 66.95 1o8t h VAL 71 Cb 0.68 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1o8t h VAL 71 CO 0.03 0.11 0.45 0.25 0.02 0.00 0.00 177.57 178.43 1o8t h LEU 72 N -0.82 0.56 -1.12 2.57 6.46 -0.36 -0.02 115.31 122.57 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 1o8t h LEU 72 Cb 0.52 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 1o8t h LEU 72 CO 0.07 0.35 0.60 -1.28 -0.62 0.00 0.00 178.44 177.56 1o8t h SER 73 N 0.63 0.95 1.06 1.25 0.87 -1.13 0.11 113.55 117.28 1o8t h SER 73 Ca 0.30 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1o8t h SER 73 Cb 0.36 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1o8t h SER 73 CO -0.10 0.63 0.00 0.58 -0.53 0.00 0.00 176.83 177.41 1o8t h VAL 74 N 1.09 0.00 -0.36 2.23 2.07 -0.37 -2.84 116.25 118.06 1o8t h VAL 74 Ca 0.38 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1o8t h VAL 74 Cb 0.12 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1o8t h VAL 74 CO -0.13 0.00 -0.02 0.25 0.02 0.00 0.00 177.57 177.69 1o8t h LEU 75 N 0.00 0.55 0.04 2.57 5.85 -0.50 0.02 115.31 123.83 1o8t h LEU 75 Ca 0.00 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1o8t h LEU 75 Cb 0.53 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1o8t h LEU 75 CO 0.00 0.63 -0.02 0.50 -0.34 0.00 0.00 178.44 179.21 1o8t h LYS 76 N 0.55 -0.05 -0.86 1.25 3.11 -1.48 -1.46 116.57 117.63 1o8t h LYS 76 Ca 0.11 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1o8t h LYS 76 Cb 0.38 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.58 1o8t h LYS 76 CO 0.01 0.48 0.52 0.78 -2.81 0.00 0.00 179.45 178.43 1o8t h GLY 77 N -0.61 1.24 0.96 5.01 0.00 -1.56 -2.72 103.07 105.40 1o8t h GLY 77 Ca -0.01 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 1o8t h GLY 77 CO 0.01 0.50 0.05 -2.09 0.00 0.00 0.00 176.54 175.00 1o8t h GLU 78 N 1.18 0.75 0.00 4.80 4.22 -1.04 -3.52 114.58 120.98 1o8t h GLU 78 Ca 0.31 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1o8t h GLU 78 Cb -0.06 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1o8t h GLU 78 CO -0.06 0.79 0.00 -1.91 -2.18 0.00 0.00 179.01 175.65