#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b95 h ALA 12 N 0.00 1.74 -0.27 3.04 0.00 -2.05 -1.25 119.26 120.47 2b95 h ALA 12 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2b95 h ALA 12 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 2b95 h ALA 12 CO 0.00 -0.09 -0.15 1.49 0.00 0.00 0.00 179.25 180.50 2b95 h GLU 13 N 0.74 -0.12 -0.57 0.00 4.81 -2.06 0.21 114.58 117.59 2b95 h GLU 13 Ca 0.55 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.72 2b95 h GLU 13 Cb 0.90 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 2b95 h GLU 13 CO -0.34 -0.08 0.09 0.28 -0.73 0.00 0.00 179.01 178.23 2b95 h VAL 14 N -0.12 1.25 -0.72 0.32 2.07 -1.70 -2.66 116.25 114.69 2b95 h VAL 14 Ca 0.14 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 2b95 h VAL 14 Cb 0.34 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2b95 h VAL 14 CO -0.35 0.35 0.24 -0.33 0.02 0.00 0.00 177.57 177.50 2b95 h GLU 15 N 0.87 1.11 -0.30 1.57 5.08 -0.53 -1.61 114.58 120.78 2b95 h GLU 15 Ca 0.18 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2b95 h GLU 15 Cb 0.39 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2b95 h GLU 15 CO 0.01 0.94 -0.02 1.49 -1.00 0.00 0.00 179.01 180.43 2b95 h GLU 16 N 1.05 0.45 0.00 2.33 4.22 -0.37 -2.12 114.58 120.14 2b95 h GLU 16 Ca 0.23 -0.09 -0.09 0.00 0.08 0.00 0.00 59.36 59.49 2b95 h GLU 16 Cb 0.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2b95 h GLU 16 CO -0.01 0.49 -0.42 1.15 -2.18 0.00 0.00 179.01 178.04 2b95 h THR 17 N 0.44 0.79 -0.14 0.32 2.02 -1.12 -3.23 112.91 111.99 2b95 h THR 17 Ca 0.10 -1.88 -0.02 0.00 0.77 0.00 0.00 66.41 65.38 2b95 h THR 17 Cb 0.31 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 2b95 h THR 17 CO 0.01 0.41 0.00 0.25 0.37 0.00 0.00 175.52 176.56 2b95 h LEU 18 N 0.00 0.24 -0.00 2.58 7.12 -0.61 -0.73 115.31 123.91 2b95 h LEU 18 Ca -0.00 -0.31 0.01 0.00 0.13 0.00 0.00 57.88 57.71 2b95 h LEU 18 Cb 1.18 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.23 2b95 h LEU 18 CO 0.05 0.49 -0.08 0.11 -0.13 0.00 0.00 178.44 178.89 2b95 h LYS 19 N -0.01 -0.13 0.01 1.25 1.79 -1.58 0.24 116.57 118.14 2b95 h LYS 19 Ca 0.04 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2b95 h LYS 19 Cb 0.37 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2b95 h LYS 19 CO 0.01 -0.09 -0.01 -0.09 -1.08 0.00 0.00 179.45 178.19 2b95 h ARG 20 N -0.13 -0.03 0.03 3.15 9.65 -1.57 0.13 114.38 125.62 2b95 h ARG 20 Ca 0.03 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 2b95 h ARG 20 Cb 0.17 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.72 2b95 h ARG 20 CO -0.08 -0.02 -0.24 -0.07 2.80 0.00 0.00 179.97 182.37 2b95 h LEU 21 N -0.03 -0.69 -0.37 3.80 4.07 -0.94 0.56 115.31 121.72 2b95 h LEU 21 Ca 0.00 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2b95 h LEU 21 Cb 0.03 0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2b95 h LEU 21 CO -0.01 -0.31 0.00 1.67 -1.08 0.00 0.00 178.44 178.71 2b95 n GLN 22 N -5.36 0.09 0.12 1.13 7.27 0.06 -1.84 117.38 118.85 2b95 n GLN 22 Ca -0.05 0.36 0.11 0.00 0.07 0.00 0.00 57.00 57.48 2b95 n GLN 22 Cb 0.27 -1.68 0.03 0.00 2.41 0.00 0.00 30.24 31.27 2b95 n GLN 22 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2b95 h SER 23 N 0.00 0.00 -2.73 1.69 0.02 0.14 -3.46 113.55 109.21 2b95 h SER 23 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 2b95 h SER 23 Cb 0.27 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2b95 h SER 23 CO 0.00 0.04 -0.47 0.00 -1.14 0.00 0.00 176.83 175.26 2b95 s GLN 24 N -3.31 3.45 0.07 3.45 -2.07 -0.35 -5.05 119.66 115.84 2b95 s GLN 24 Ca 0.01 -0.51 -0.29 0.00 -1.82 0.00 0.00 55.36 52.75 2b95 s GLN 24 Cb 0.09 -2.99 -0.05 0.00 -1.09 0.00 0.00 33.01 28.97 2b95 s GLN 24 CO 0.77 0.55 0.93 0.21 -1.32 0.00 0.00 175.29 176.43 2b95 s LYS 25 N -2.92 4.63 0.00 9.60 2.20 -1.26 -4.03 119.74 127.96 2b95 s LYS 25 Ca 0.35 1.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.33 2b95 s LYS 25 Cb -0.12 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 2b95 s LYS 25 CO 0.28 0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.83 2b95 n GLY 26 N 2.46 3.66 3.67 5.54 0.00 -1.26 -5.10 105.19 114.16 2b95 n GLY 26 Ca 0.02 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2b95 n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2b95 n VAL 27 N 0.00 2.41 -0.06 1.61 0.31 -1.26 -3.77 118.33 117.58 2b95 n VAL 27 Ca 0.00 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 63.77 2b95 n VAL 27 Cb 0.00 -1.42 -0.07 0.00 -0.91 0.00 0.00 33.84 31.44 2b95 n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b95 n GLN 28 N 0.19 1.60 0.00 5.55 3.00 0.87 -4.96 117.38 123.63 2b95 n GLN 28 Ca 0.07 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2b95 n GLN 28 Cb 0.38 -1.26 0.00 0.00 0.00 0.00 0.00 30.24 29.37 2b95 n GLN 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2b95 n GLY 29 N 2.57 1.13 2.76 1.08 0.00 -0.72 -4.95 105.19 107.07 2b95 n GLY 29 Ca -0.19 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 2b95 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b95 s ILE 30 N -2.00 0.08 0.04 -0.61 1.09 -1.26 -0.78 121.20 117.76 2b95 s ILE 30 Ca 0.00 0.21 0.08 0.00 -1.10 0.00 0.00 60.65 59.84 2b95 s ILE 30 Cb 0.00 -0.23 -0.03 0.00 -1.06 0.00 0.00 42.46 41.14 2b95 s ILE 30 CO 0.00 0.16 -0.24 -0.63 -0.10 0.00 0.00 174.94 174.13 2b95 s ILE 31 N 1.45 2.34 -0.11 2.92 1.01 -0.68 -3.07 121.20 125.06 2b95 s ILE 31 Ca -0.04 -1.29 -0.03 0.00 0.00 0.00 0.00 60.65 59.29 2b95 s ILE 31 Cb -0.13 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.46 2b95 s ILE 31 CO -0.03 0.38 0.05 -0.69 0.00 0.00 0.00 174.94 174.65 2b95 s VAL 32 N -0.82 0.15 0.08 2.92 1.01 0.10 -1.78 120.40 122.05 2b95 s VAL 32 Ca 0.12 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2b95 s VAL 32 Cb -0.10 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 2b95 s VAL 32 CO 0.03 -0.00 -0.17 -0.69 0.00 0.00 0.00 175.10 174.26 2b95 s VAL 33 N 2.05 2.87 0.63 2.92 1.01 -1.11 -0.59 120.40 128.19 2b95 s VAL 33 Ca 0.03 -1.32 0.05 0.00 0.00 0.00 0.00 61.98 60.74 2b95 s VAL 33 Cb -0.14 -2.27 0.10 0.00 0.00 0.00 0.00 36.38 34.07 2b95 s VAL 33 CO -0.06 0.22 0.88 0.54 0.00 0.00 0.00 175.10 176.67 2b95 s ASN 34 N -1.79 4.78 0.60 3.32 2.20 -1.10 -0.03 114.94 122.92 2b95 s ASN 34 Ca 0.17 -0.60 0.30 0.00 -0.94 0.00 0.00 52.86 51.78 2b95 s ASN 34 Cb -0.11 0.10 1.66 0.00 -2.00 0.00 0.00 41.25 40.91 2b95 s ASN 34 CO 0.08 -1.56 2.07 0.71 -2.94 0.00 0.00 177.10 175.46 2b95 h THR 35 N -0.13 0.39 0.04 0.54 1.35 -1.67 -2.16 112.91 111.27 2b95 h THR 35 Ca -0.33 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2b95 h THR 35 Cb 1.28 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2b95 h THR 35 CO 0.41 0.00 -0.02 -0.33 -0.25 0.00 0.00 175.52 175.33 2b95 h GLU 36 N 0.00 -0.05 0.00 4.72 5.08 -1.93 -3.49 114.58 118.91 2b95 h GLU 36 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2b95 h GLU 36 Cb 0.59 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2b95 h GLU 36 CO -0.00 0.59 0.00 0.41 -1.00 0.00 0.00 179.01 179.01 2b95 n GLY 37 N 1.21 0.17 3.71 -3.84 0.00 -0.81 -5.13 105.19 100.50 2b95 n GLY 37 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2b95 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b95 s ILE 38 N -0.27 4.67 -1.17 -0.61 1.09 -1.26 -4.74 121.20 118.91 2b95 s ILE 38 Ca 0.00 1.98 -0.23 0.00 -1.10 0.00 0.00 60.65 61.30 2b95 s ILE 38 Cb 0.00 -4.27 -0.09 0.00 -1.06 0.00 0.00 42.46 37.05 2b95 s ILE 38 CO 0.00 0.19 1.93 -2.16 -0.10 0.00 0.00 174.94 174.80 2b95 s PRO 39 N 0.78 2.50 0.37 2.79 0.04 -1.26 -2.70 135.00 137.52 2b95 s PRO 39 Ca 0.52 -1.14 0.15 0.00 0.04 0.00 0.00 61.00 60.57 2b95 s PRO 39 Cb -0.23 -5.24 1.00 0.00 0.04 0.00 0.00 34.50 30.07 2b95 s PRO 39 CO 0.29 -3.96 1.78 -0.84 0.04 0.00 0.00 177.00 174.31 2b95 h ILE 40 N 6.22 0.60 -3.82 0.56 3.07 -1.20 -3.40 117.51 119.53 2b95 h ILE 40 Ca 0.21 -0.17 -0.34 0.00 1.55 0.00 0.00 64.86 66.11 2b95 h ILE 40 Cb 0.94 0.06 -0.30 0.00 -0.27 0.00 0.00 36.82 37.25 2b95 h ILE 40 CO 1.22 0.09 -0.76 -0.54 -1.05 0.00 0.00 178.15 177.12 2b95 s LYS 41 N -5.59 0.48 -0.25 0.16 -0.14 -1.03 -5.01 119.74 108.36 2b95 s LYS 41 Ca -0.09 -0.16 -0.26 0.00 -1.36 0.00 0.00 55.97 54.09 2b95 s LYS 41 Cb 0.25 -0.48 0.12 0.00 -1.68 0.00 0.00 37.83 36.04 2b95 s LYS 41 CO 0.80 0.07 1.02 0.45 -0.76 0.00 0.00 175.35 176.93 2b95 s SER 42 N 0.09 -0.44 0.00 2.83 0.15 -1.26 0.03 113.70 115.10 2b95 s SER 42 Ca -0.01 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2b95 s SER 42 Cb -0.05 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 2b95 s SER 42 CO -0.00 -0.20 0.03 0.35 1.20 0.00 0.00 173.24 174.62 2b95 n THR 43 N 1.91 0.00 -0.58 6.45 -2.24 -1.17 -5.05 114.28 113.59 2b95 n THR 43 Ca -0.12 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2b95 n THR 43 Cb 0.56 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2b95 n THR 43 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2b95 n MET 44 N -0.86 -0.29 -1.15 -0.78 1.56 -1.26 -4.98 117.12 109.36 2b95 n MET 44 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.13 2b95 n MET 44 Cb 0.00 0.00 0.14 0.00 2.15 0.00 0.00 33.22 35.51 2b95 n MET 44 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2b95 s ASP 45 N -1.29 3.37 0.01 6.12 1.11 -1.26 -4.83 116.67 119.90 2b95 s ASP 45 Ca 0.00 1.54 -0.26 0.00 0.18 0.00 0.00 52.55 54.02 2b95 s ASP 45 Cb 0.00 -2.22 -0.15 0.00 1.07 0.00 0.00 42.92 41.62 2b95 s ASP 45 CO 0.00 -2.71 1.17 -1.13 1.18 0.00 0.00 175.17 173.68 2b95 h ASN 46 N -1.60 -0.60 0.73 0.27 -0.00 -1.99 -0.94 115.58 111.45 2b95 h ASN 46 Ca -0.49 -0.06 -0.05 0.00 -0.00 0.00 0.00 56.30 55.70 2b95 h ASN 46 Cb 1.28 0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 39.75 2b95 h ASN 46 CO 0.53 -0.24 -0.24 1.55 -0.00 0.00 0.00 177.43 179.04 2b95 h PRO 47 N -1.02 0.00 0.04 6.67 0.13 -2.01 -2.82 132.00 132.99 2b95 h PRO 47 Ca -0.07 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.81 2b95 h PRO 47 Cb 0.62 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.76 2b95 h PRO 47 CO 0.12 0.24 -1.04 1.15 -0.23 0.00 0.00 178.00 178.24 2b95 h THR 48 N 0.00 1.39 -0.29 1.56 2.02 -1.93 -3.19 112.91 112.47 2b95 h THR 48 Ca -0.00 -2.53 -0.10 0.00 0.77 0.00 0.00 66.41 64.55 2b95 h THR 48 Cb 0.67 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.61 2b95 h THR 48 CO 0.03 0.76 -0.21 0.74 0.37 0.00 0.00 175.52 177.20 2b95 h THR 49 N 0.23 1.30 -0.58 3.16 2.02 -1.04 -2.39 112.91 115.61 2b95 h THR 49 Ca -0.11 -1.35 0.08 0.00 0.77 0.00 0.00 66.41 65.80 2b95 h THR 49 Cb 1.70 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 69.58 2b95 h THR 49 CO 0.18 0.43 0.24 0.74 0.37 0.00 0.00 175.52 177.48 2b95 h THR 50 N 0.40 0.83 0.16 3.16 2.02 -1.58 0.21 112.91 118.10 2b95 h THR 50 Ca 0.06 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 2b95 h THR 50 Cb 0.76 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2b95 h THR 50 CO 0.06 0.08 -0.08 -0.61 0.37 0.00 0.00 175.52 175.34 2b95 h GLN 51 N 0.44 -0.20 -0.07 6.66 -0.00 -1.53 -2.04 115.11 118.37 2b95 h GLN 51 Ca 0.28 0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.98 2b95 h GLN 51 Cb 0.30 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 27.79 2b95 h GLN 51 CO -0.26 0.07 -0.14 1.88 0.00 0.00 0.00 178.83 180.38 2b95 h TYR 52 N -0.47 -0.37 0.00 3.99 -1.99 -1.09 0.16 116.97 117.20 2b95 h TYR 52 Ca -0.02 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2b95 h TYR 52 Cb 0.37 0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.27 2b95 h TYR 52 CO 0.01 -0.21 0.00 0.00 -0.00 0.00 0.00 178.16 177.96 2b95 h ALA 53 N 0.80 1.00 0.09 3.88 0.00 -0.61 0.27 119.26 124.69 2b95 h ALA 53 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2b95 h ALA 53 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2b95 h ALA 53 CO -0.19 0.00 -0.04 1.03 0.00 0.00 0.00 179.25 180.05 2b95 h SER 54 N 0.00 -0.10 1.59 0.00 0.87 -0.21 -3.30 113.55 112.39 2b95 h SER 54 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2b95 h SER 54 Cb 0.04 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2b95 h SER 54 CO 0.00 0.54 -0.01 0.17 -0.53 0.00 0.00 176.83 177.00 2b95 h LEU 55 N -0.87 0.00 -0.48 2.23 8.10 -1.06 -3.28 115.31 119.94 2b95 h LEU 55 Ca -0.01 -0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.07 2b95 h LEU 55 Cb 0.58 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.72 2b95 h LEU 55 CO 0.02 0.00 0.00 -0.03 -4.11 0.00 0.00 178.44 174.32 2b95 h MET 56 N 0.00 0.11 0.09 0.17 4.05 -0.55 0.25 114.93 119.05 2b95 h MET 56 Ca 0.00 -0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.27 2b95 h MET 56 Cb 0.80 -0.03 0.02 0.00 -0.80 0.00 0.00 31.60 31.59 2b95 h MET 56 CO 0.00 0.07 -0.63 1.25 0.23 0.00 0.00 176.91 177.84 2b95 h HIS 57 N 0.11 0.46 -0.32 1.39 -0.00 -1.70 -3.17 115.15 111.92 2b95 h HIS 57 Ca 0.24 -0.31 0.09 0.00 -0.00 0.00 0.00 60.37 60.39 2b95 h HIS 57 Cb 0.36 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2b95 h HIS 57 CO -0.31 1.22 0.32 1.03 -0.00 0.00 0.00 177.93 180.18 2b95 h SER 58 N -0.43 0.00 0.18 3.26 0.87 -1.55 0.78 113.55 116.67 2b95 h SER 58 Ca -0.10 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 2b95 h SER 58 Cb 1.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2b95 h SER 58 CO 0.12 0.00 -0.09 0.15 -0.53 0.00 0.00 176.83 176.48 2b95 h PHE 59 N 0.00 -0.23 -0.42 2.24 3.57 -0.54 -2.60 116.94 118.96 2b95 h PHE 59 Ca 0.15 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2b95 h PHE 59 Cb 0.78 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 2b95 h PHE 59 CO 0.00 0.08 0.25 0.82 -2.23 0.00 0.00 178.31 177.23 2b95 h ILE 60 N -0.99 1.05 0.00 1.41 1.08 -1.40 -1.16 117.51 117.51 2b95 h ILE 60 Ca -0.02 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 2b95 h ILE 60 Cb 0.40 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.65 2b95 h ILE 60 CO 0.04 0.09 -0.06 -0.07 -0.69 0.00 0.00 178.15 177.46 2b95 h LEU 61 N 0.51 0.00 0.06 1.44 4.07 -0.99 0.25 115.31 120.65 2b95 h LEU 61 Ca 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 2b95 h LEU 61 Cb -0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2b95 h LEU 61 CO -0.07 0.06 -0.03 0.50 -1.08 0.00 0.00 178.44 177.82 2b95 h LYS 62 N 0.00 -0.08 -0.48 1.13 1.63 -0.84 -3.13 116.57 114.79 2b95 h LYS 62 Ca -0.00 0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.70 2b95 h LYS 62 Cb 0.16 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 2b95 h LYS 62 CO 0.01 0.49 -0.13 0.00 -3.45 0.00 0.00 179.45 176.36 2b95 h ALA 63 N -0.21 0.86 -0.89 5.00 0.00 -1.06 -2.59 119.26 120.38 2b95 h ALA 63 Ca -0.01 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.66 2b95 h ALA 63 Cb 0.61 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2b95 h ALA 63 CO 0.01 0.64 0.57 -0.09 0.00 0.00 0.00 179.25 180.39 2b95 h ARG 64 N 0.80 0.80 0.00 0.00 2.43 -0.63 0.14 114.38 117.91 2b95 h ARG 64 Ca 0.12 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2b95 h ARG 64 Cb 0.67 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2b95 h ARG 64 CO 0.05 0.53 -0.29 1.03 -1.51 0.00 0.00 179.97 179.77 2b95 h SER 65 N 0.82 0.00 0.92 -3.80 0.87 -1.45 -3.23 113.55 107.68 2b95 h SER 65 Ca 0.42 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.76 2b95 h SER 65 Cb 0.50 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 2b95 h SER 65 CO -0.19 0.29 -1.06 0.74 -0.53 0.00 0.00 176.83 176.08 2b95 h THR 66 N 0.00 1.66 -0.99 2.23 2.02 -0.50 -3.30 112.91 114.03 2b95 h THR 66 Ca -0.00 -3.34 0.17 0.00 0.77 0.00 0.00 66.41 64.01 2b95 h THR 66 Cb 1.18 2.86 -0.10 0.00 -1.74 0.00 0.00 68.15 70.35 2b95 h THR 66 CO 0.04 0.95 0.62 0.58 0.37 0.00 0.00 175.52 178.08 2b95 h VAL 67 N 0.01 0.77 -0.87 3.16 2.07 -0.86 0.57 116.25 121.09 2b95 h VAL 67 Ca -0.04 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.32 2b95 h VAL 67 Cb 1.81 -0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 2b95 h VAL 67 CO 0.14 0.15 0.56 0.03 0.02 0.00 0.00 177.57 178.47 2b95 h ARG 68 N 0.80 0.75 -0.79 1.57 2.47 -1.71 -0.17 114.38 117.29 2b95 h ARG 68 Ca 0.55 -0.04 0.16 0.00 -1.26 0.00 0.00 59.98 59.38 2b95 h ARG 68 Cb 0.81 -0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 28.90 2b95 h ARG 68 CO -0.33 0.49 0.53 0.22 0.56 0.00 0.00 179.97 181.44 2b95 h ASP 69 N 0.77 0.41 0.25 7.04 1.82 -1.07 0.14 116.42 125.78 2b95 h ASP 69 Ca 0.42 0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.99 2b95 h ASP 69 Cb 0.56 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 2b95 h ASP 69 CO -0.18 0.20 -0.39 0.40 -1.61 0.00 0.00 179.24 177.66 2b95 h ILE 70 N 0.43 1.30 -1.03 2.25 2.04 -1.09 -3.47 117.51 117.93 2b95 h ILE 70 Ca 0.39 -1.43 0.33 0.00 1.00 0.00 0.00 64.86 65.15 2b95 h ILE 70 Cb 0.90 1.66 -0.21 0.00 -0.74 0.00 0.00 36.82 38.43 2b95 h ILE 70 CO -0.13 0.42 0.99 -1.81 0.00 0.00 0.00 178.15 177.62 2b95 s ASP 71 N -6.89 -0.01 0.00 1.72 1.11 0.48 -5.00 116.67 108.09 2b95 s ASP 71 Ca -0.04 0.00 0.14 0.00 0.18 0.00 0.00 52.55 52.83 2b95 s ASP 71 Cb 0.14 0.01 0.65 0.00 1.07 0.00 0.00 42.92 44.78 2b95 s ASP 71 CO 0.76 -0.02 1.44 -0.81 1.18 0.00 0.00 175.17 177.72 2b95 n PRO 72 N 0.00 0.07 -1.74 8.23 -0.04 -1.25 -4.30 135.00 135.96 2b95 n PRO 72 Ca 0.06 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2b95 n PRO 72 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2b95 n PRO 72 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2b95 n GLN 73 N -1.43 1.47 -1.17 0.54 6.02 -1.26 -5.07 117.38 116.48 2b95 n GLN 73 Ca 0.05 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.12 2b95 n GLN 73 Cb 0.15 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.36 2b95 n GLN 73 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2b95 n ASN 74 N -1.48 -6.35 -3.92 1.08 5.15 -1.26 -4.86 115.26 103.62 2b95 n ASN 74 Ca 0.00 1.28 -0.10 0.00 -0.60 0.00 0.00 54.58 55.16 2b95 n ASN 74 Cb 0.00 -3.87 -0.06 0.00 -0.53 0.00 0.00 39.78 35.32 2b95 n ASN 74 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2b95 s ASP 75 N -5.94 0.06 -0.11 1.20 -1.08 -1.26 -4.85 116.67 104.68 2b95 s ASP 75 Ca 0.00 -1.06 -0.09 0.00 -0.52 0.00 0.00 52.55 50.88 2b95 s ASP 75 Cb 0.00 0.57 -0.04 0.00 -1.46 0.00 0.00 42.92 41.99 2b95 s ASP 75 CO 0.00 -1.13 0.19 -0.22 0.52 0.00 0.00 175.17 174.53 2b95 s LEU 76 N -3.06 4.37 -0.03 -1.34 1.98 -1.26 -4.98 118.68 114.36 2b95 s LEU 76 Ca 0.26 0.52 0.06 0.00 -2.89 0.00 0.00 54.13 52.08 2b95 s LEU 76 Cb 0.00 -2.17 0.11 0.00 0.66 0.00 0.00 46.19 44.79 2b95 s LEU 76 CO 0.11 0.35 1.05 1.07 -1.89 0.00 0.00 176.35 177.04 2b95 n THR 77 N 2.23 0.44 -3.50 3.68 5.66 -1.26 -4.83 114.28 116.70 2b95 n THR 77 Ca -0.18 -0.62 0.01 0.00 -3.05 0.00 0.00 64.05 60.21 2b95 n THR 77 Cb 0.54 0.38 -0.05 0.00 -1.55 0.00 0.00 70.33 69.64 2b95 n THR 77 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2b95 s PHE 78 N -0.66 -0.29 -0.30 1.09 2.19 -1.26 -4.51 117.98 114.23 2b95 s PHE 78 Ca 0.10 0.55 -0.01 0.00 0.33 0.00 0.00 56.93 57.91 2b95 s PHE 78 Cb 0.10 0.18 0.10 0.00 -1.31 0.00 0.00 43.02 42.08 2b95 s PHE 78 CO -0.01 -0.14 0.09 -0.51 1.83 0.00 0.00 175.22 176.47 2b95 s LEU 79 N 1.59 2.33 -0.21 6.12 1.02 0.17 -4.97 118.68 124.73 2b95 s LEU 79 Ca -0.05 -1.60 -0.05 0.00 0.02 0.00 0.00 54.13 52.44 2b95 s LEU 79 Cb -0.03 -0.90 -0.02 0.00 0.02 0.00 0.00 46.19 45.26 2b95 s LEU 79 CO -0.14 -0.40 -0.01 -0.13 0.02 0.00 0.00 176.35 175.69 2b95 s ARG 80 N 1.58 3.56 -0.59 1.70 0.52 -1.26 -0.11 118.95 124.36 2b95 s ARG 80 Ca 0.09 -0.54 -0.01 0.00 -0.52 0.00 0.00 55.73 54.74 2b95 s ARG 80 Cb -0.17 -3.07 0.15 0.00 0.52 0.00 0.00 34.95 32.38 2b95 s ARG 80 CO -0.23 -0.04 0.38 0.42 0.02 0.00 0.00 175.30 175.86 2b95 s ILE 81 N 1.11 3.41 0.02 1.52 1.01 -1.11 -5.00 121.20 122.17 2b95 s ILE 81 Ca 0.02 -3.01 -0.30 0.00 0.00 0.00 0.00 60.65 57.36 2b95 s ILE 81 Cb -0.14 -3.26 -0.07 0.00 0.01 0.00 0.00 42.46 39.00 2b95 s ILE 81 CO 0.01 -0.85 1.58 -0.60 0.00 0.00 0.00 174.94 175.08 2b95 s ARG 82 N -0.06 4.22 0.01 2.79 3.52 -1.26 -2.97 118.95 125.19 2b95 s ARG 82 Ca 0.17 2.19 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 2b95 s ARG 82 Cb -0.22 -3.68 0.00 0.00 -1.56 0.00 0.00 34.95 29.49 2b95 s ARG 82 CO -0.03 -0.71 0.00 0.43 -0.81 0.00 0.00 175.30 174.18 2b95 n SER 83 N 5.89 1.72 -0.02 -2.12 7.64 -1.13 -4.99 113.62 120.61 2b95 n SER 83 Ca 0.15 -1.03 -0.15 0.00 1.01 0.00 0.00 58.87 58.85 2b95 n SER 83 Cb 0.42 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.48 2b95 n SER 83 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2b95 n LYS 84 N -0.16 0.70 0.08 1.43 5.02 -1.26 -4.30 118.16 119.66 2b95 n LYS 84 Ca -0.00 0.26 -0.17 0.00 -2.02 0.00 0.00 58.31 56.38 2b95 n LYS 84 Cb 0.01 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 33.15 2b95 n LYS 84 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2b95 h LYS 85 N 0.04 0.28 -1.19 1.97 1.57 -2.01 -3.49 116.57 113.73 2b95 h LYS 85 Ca -0.38 -0.48 0.31 0.00 -1.87 0.00 0.00 60.65 58.24 2b95 h LYS 85 Cb 2.03 0.18 -0.19 0.00 0.08 0.00 0.00 32.23 34.33 2b95 h LYS 85 CO 0.07 1.17 0.92 0.54 -0.57 0.00 0.00 179.45 181.59 2b95 s ASN 86 N -7.08 -0.05 -0.24 0.86 2.20 -1.26 -4.70 114.94 104.67 2b95 s ASN 86 Ca -0.08 -0.01 -0.13 0.00 -0.94 0.00 0.00 52.86 51.71 2b95 s ASN 86 Cb 0.07 0.06 -0.05 0.00 -2.00 0.00 0.00 41.25 39.33 2b95 s ASN 86 CO 0.87 -0.10 0.26 -0.70 -2.94 0.00 0.00 177.10 174.49 2b95 s GLU 87 N -2.17 4.06 -0.51 3.55 2.12 -0.89 -2.86 118.70 122.00 2b95 s GLU 87 Ca 0.11 -0.12 -0.10 0.00 0.36 0.00 0.00 54.97 55.22 2b95 s GLU 87 Cb -0.00 -3.58 0.13 0.00 0.26 0.00 0.00 34.13 30.93 2b95 s GLU 87 CO -0.03 -0.07 0.40 0.42 -0.54 0.00 0.00 175.26 175.44 2b95 s ILE 88 N 1.43 4.44 -0.04 -3.70 1.01 -1.16 -3.16 121.20 120.02 2b95 s ILE 88 Ca 0.11 -1.84 -0.19 0.00 0.00 0.00 0.00 60.65 58.73 2b95 s ILE 88 Cb -0.15 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 2b95 s ILE 88 CO 0.07 -0.81 0.55 0.00 0.00 0.00 0.00 174.94 174.75 2b95 s MET 89 N 1.26 4.29 -0.09 2.79 0.23 -1.15 -2.74 119.30 123.90 2b95 s MET 89 Ca 0.07 0.63 -0.04 0.00 -1.03 0.00 0.00 55.69 55.32 2b95 s MET 89 Cb -0.26 -3.36 0.05 0.00 -1.53 0.00 0.00 34.83 29.73 2b95 s MET 89 CO -0.01 0.32 0.18 0.08 -2.03 0.00 0.00 175.02 173.56 2b95 s VAL 90 N 0.03 -0.22 0.10 5.16 1.01 0.84 -2.38 120.40 124.94 2b95 s VAL 90 Ca 0.29 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.60 2b95 s VAL 90 Cb -0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2b95 s VAL 90 CO 0.15 0.12 -0.10 0.00 0.00 0.00 0.00 175.10 175.26 2b95 s ALA 91 N 1.97 1.17 -0.10 5.51 0.00 -1.24 -0.66 121.76 128.41 2b95 s ALA 91 Ca -0.01 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 2b95 s ALA 91 Cb -0.12 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2b95 s ALA 91 CO -0.07 -0.04 1.53 -1.25 0.00 0.00 0.00 175.76 175.94 2b95 s PRO 92 N -2.89 4.17 0.00 0.00 0.04 -1.26 -3.58 135.00 131.48 2b95 s PRO 92 Ca 0.07 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2b95 s PRO 92 Cb -0.02 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.59 2b95 s PRO 92 CO 0.00 -0.84 0.00 -0.25 0.04 0.00 0.00 177.00 175.95 2b95 n ASP 93 N 7.08 0.00 -0.07 6.66 9.92 -0.29 -4.99 116.55 134.86 2b95 n ASP 93 Ca 0.16 -0.98 -0.07 0.00 -0.53 0.00 0.00 54.79 53.37 2b95 n ASP 93 Cb 0.44 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.91 2b95 n ASP 93 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2b95 h LYS 94 N 0.00 -0.19 0.00 -1.24 1.79 -2.02 -3.37 116.57 111.54 2b95 h LYS 94 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2b95 h LYS 94 Cb 0.00 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2b95 h LYS 94 CO 0.00 -0.12 -0.17 -0.40 -1.08 0.00 0.00 179.45 177.68 2b95 n ASP 95 N -5.36 0.00 -3.36 0.86 5.75 -1.26 -5.13 116.55 108.05 2b95 n ASP 95 Ca -0.00 -1.34 -0.18 0.00 -0.01 0.00 0.00 54.79 53.26 2b95 n ASP 95 Cb 0.28 -0.07 -0.08 0.00 -1.03 0.00 0.00 41.12 40.23 2b95 n ASP 95 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2b95 s TYR 96 N 0.00 1.63 -0.21 2.11 1.13 -1.26 -1.60 117.35 119.15 2b95 s TYR 96 Ca 0.00 -1.60 0.01 0.00 -1.41 0.00 0.00 57.07 54.07 2b95 s TYR 96 Cb 0.00 -0.61 0.05 0.00 -1.10 0.00 0.00 41.96 40.30 2b95 s TYR 96 CO 0.00 -0.91 -0.09 -0.06 -2.51 0.00 0.00 175.55 171.98 2b95 s PHE 97 N -3.40 2.39 0.18 -3.49 0.08 0.95 -1.14 117.98 113.55 2b95 s PHE 97 Ca 0.39 -1.61 -0.25 0.00 0.12 0.00 0.00 56.93 55.58 2b95 s PHE 97 Cb 0.02 -1.61 -0.08 0.00 -0.57 0.00 0.00 43.02 40.78 2b95 s PHE 97 CO 0.26 -0.74 0.80 -1.17 -0.10 0.00 0.00 175.22 174.26 2b95 s LEU 98 N 1.40 4.57 -0.26 -0.37 0.20 -1.23 -2.74 118.68 120.26 2b95 s LEU 98 Ca -0.02 1.67 -0.04 0.00 0.69 0.00 0.00 54.13 56.43 2b95 s LEU 98 Cb -0.17 -3.38 0.09 0.00 -0.43 0.00 0.00 46.19 42.30 2b95 s LEU 98 CO -0.08 0.18 0.11 -0.63 -0.29 0.00 0.00 176.35 175.65 2b95 s ILE 99 N -1.20 0.05 -0.37 6.68 1.09 -0.74 -3.58 121.20 123.14 2b95 s ILE 99 Ca 0.37 -0.67 -0.13 0.00 -1.10 0.00 0.00 60.65 59.12 2b95 s ILE 99 Cb -0.23 -0.95 0.00 0.00 -1.06 0.00 0.00 42.46 40.22 2b95 s ILE 99 CO 0.26 -0.59 0.26 -0.69 -0.10 0.00 0.00 174.94 174.08 2b95 s VAL 100 N 2.05 5.19 -0.40 2.92 1.01 -1.00 -1.69 120.40 128.48 2b95 s VAL 100 Ca 0.07 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 2b95 s VAL 100 Cb -0.16 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2b95 s VAL 100 CO -0.27 -0.14 0.26 -0.63 0.00 0.00 0.00 175.10 174.31 2b95 s ILE 101 N 1.69 4.84 -0.05 2.22 1.01 0.04 -2.93 121.20 128.02 2b95 s ILE 101 Ca 0.05 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 2b95 s ILE 101 Cb -0.18 -3.73 0.09 0.00 0.01 0.00 0.00 42.46 38.64 2b95 s ILE 101 CO 0.10 -0.31 0.78 0.00 0.00 0.00 0.00 174.94 175.51 2b95 s GLN 102 N 1.60 0.93 0.93 2.79 -2.07 -1.19 -0.09 119.66 122.56 2b95 s GLN 102 Ca 0.03 0.10 -0.13 0.00 -1.82 0.00 0.00 55.36 53.55 2b95 s GLN 102 Cb -0.20 0.44 0.04 0.00 -1.09 0.00 0.00 33.01 32.20 2b95 s GLN 102 CO 0.08 -0.32 0.48 0.27 -1.32 0.00 0.00 175.29 174.48 2b95 n ASN 103 N 0.63 -1.80 -4.77 12.60 0.23 -1.25 -2.10 115.26 118.79 2b95 n ASN 103 Ca -0.16 0.36 -0.35 0.00 -0.53 0.00 0.00 54.58 53.90 2b95 n ASN 103 Cb 0.58 -1.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.05 2b95 n ASN 103 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2b95 s PRO 104 N -3.65 3.36 -0.19 -0.53 0.04 -1.26 -4.70 135.00 128.06 2b95 s PRO 104 Ca 0.58 1.61 0.07 0.00 0.04 0.00 0.00 61.00 63.31 2b95 s PRO 104 Cb -0.22 -2.01 -0.22 0.00 0.04 0.00 0.00 34.50 32.09 2b95 s PRO 104 CO 0.66 -0.84 0.07 0.25 0.04 0.00 0.00 177.00 177.17 2b95 n THR 105 N -1.29 1.52 -0.27 1.26 -2.24 -1.26 -5.08 114.28 106.91 2b95 n THR 105 Ca 0.12 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2b95 n THR 105 Cb 0.51 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 2b95 n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71