#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 1.58 -0.24 -5.12 0.00 -2.05 -1.36 119.26 112.07 2b95 h ALA 12 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2b95 h ALA 12 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2b95 h ALA 12 CO 0.00 -0.01 -0.16 1.49 0.00 0.00 0.00 179.25 180.57 2b95 h GLU 13 N 0.78 -0.15 -0.58 0.00 4.81 -2.06 0.10 114.58 117.49 2b95 h GLU 13 Ca 0.55 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.74 2b95 h GLU 13 Cb 0.79 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 2b95 h GLU 13 CO -0.36 -0.10 0.16 0.28 -0.73 0.00 0.00 179.01 178.26 2b95 h VAL 14 N -0.15 1.23 -0.75 0.32 2.07 -1.72 -2.67 116.25 114.58 2b95 h VAL 14 Ca 0.14 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 2b95 h VAL 14 Cb 0.36 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2b95 h VAL 14 CO -0.34 0.31 0.28 -0.33 0.02 0.00 0.00 177.57 177.52 2b95 h GLU 15 N 0.85 1.13 -0.69 1.57 5.08 -0.41 0.56 114.58 122.67 2b95 h GLU 15 Ca 0.19 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2b95 h GLU 15 Cb 0.29 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2b95 h GLU 15 CO -0.00 0.93 0.29 1.49 -1.00 0.00 0.00 179.01 180.72 2b95 h GLU 16 N 1.09 1.00 0.00 2.33 4.22 -0.52 -1.77 114.58 120.94 2b95 h GLU 16 Ca 0.25 -0.16 -0.10 0.00 0.08 0.00 0.00 59.36 59.43 2b95 h GLU 16 Cb 0.24 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2b95 h GLU 16 CO -0.02 0.81 -0.47 1.15 -2.18 0.00 0.00 179.01 178.30 2b95 h THR 17 N 0.99 0.84 -0.21 0.32 2.02 -1.17 -3.28 112.91 112.42 2b95 h THR 17 Ca 0.23 -2.11 -0.14 0.00 0.77 0.00 0.00 66.41 65.17 2b95 h THR 17 Cb 0.17 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2b95 h THR 17 CO -0.02 0.47 -0.39 -0.07 0.37 0.00 0.00 175.52 175.87 2b95 h LEU 18 N 0.00 0.72 -0.50 2.58 4.07 -0.32 -1.10 115.31 120.76 2b95 h LEU 18 Ca -0.00 -0.54 0.05 0.00 0.08 0.00 0.00 57.88 57.46 2b95 h LEU 18 Cb 1.32 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.81 2b95 h LEU 18 CO 0.06 1.12 0.24 0.11 -1.08 0.00 0.00 178.44 178.90 2b95 h LYS 19 N 0.34 0.46 -0.23 1.13 6.56 -1.40 0.22 116.57 123.65 2b95 h LYS 19 Ca 0.01 -0.03 -0.12 0.00 -1.06 0.00 0.00 60.65 59.45 2b95 h LYS 19 Cb 0.99 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.55 2b95 h LYS 19 CO 0.09 0.31 -0.34 -0.09 -2.06 0.00 0.00 179.45 177.36 2b95 h ARG 20 N 0.48 0.64 -0.32 3.15 9.65 -1.61 -3.15 114.38 123.23 2b95 h ARG 20 Ca 0.22 -0.38 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 2b95 h ARG 20 Cb 0.14 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 2b95 h ARG 20 CO -0.16 0.99 0.21 -0.07 2.80 0.00 0.00 179.97 183.74 2b95 h LEU 21 N 0.34 0.36 -2.12 3.80 4.07 -0.83 -1.45 115.31 119.48 2b95 h LEU 21 Ca 0.02 -0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.05 2b95 h LEU 21 Cb 0.92 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.56 2b95 h LEU 21 CO 0.08 0.27 0.29 -0.61 -1.08 0.00 0.00 178.44 177.39 2b95 h GLN 22 N 0.43 0.00 0.00 1.13 5.75 -0.59 0.17 115.11 121.99 2b95 h GLN 22 Ca 0.12 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.42 2b95 h GLN 22 Cb -0.05 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 2b95 h GLN 22 CO -0.02 0.00 -1.06 1.03 -2.65 0.00 0.00 178.83 176.13 2b95 h SER 23 N 0.00 0.00 -4.24 -0.69 0.87 -1.24 -3.47 113.55 104.78 2b95 h SER 23 Ca 0.14 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.17 2b95 h SER 23 Cb 0.72 0.00 0.19 0.00 -0.44 0.00 0.00 62.40 62.87 2b95 h SER 23 CO -0.00 0.83 0.28 -1.10 -0.53 0.00 0.00 176.83 176.31 2b95 s GLN 24 N -2.78 1.33 -0.79 2.24 -0.21 0.59 -4.96 119.66 115.08 2b95 s GLN 24 Ca 0.00 1.66 -0.12 0.00 0.02 0.00 0.00 55.36 56.93 2b95 s GLN 24 Cb 0.09 -1.75 0.21 0.00 1.00 0.00 0.00 33.01 32.55 2b95 s GLN 24 CO 0.80 -2.43 0.70 0.21 -2.12 0.00 0.00 175.29 172.45 2b95 s LYS 25 N -4.38 3.38 0.00 2.91 2.20 -1.26 -4.27 119.74 118.32 2b95 s LYS 25 Ca 0.70 -2.48 0.00 0.00 -0.36 0.00 0.00 55.97 53.83 2b95 s LYS 25 Cb -0.26 -4.28 0.00 0.00 -1.51 0.00 0.00 37.83 31.78 2b95 s LYS 25 CO 0.54 -1.27 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 2b95 n GLY 26 N 3.86 0.29 3.68 5.54 0.00 -1.26 -5.00 105.19 112.30 2b95 n GLY 26 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2b95 n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b95 s VAL 27 N 0.00 4.03 0.01 1.61 1.01 -1.26 -1.46 120.40 124.33 2b95 s VAL 27 Ca 0.00 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.37 2b95 s VAL 27 Cb 0.00 -3.87 -0.25 0.00 0.00 0.00 0.00 36.38 32.26 2b95 s VAL 27 CO 0.00 -0.02 0.85 1.56 0.00 0.00 0.00 175.10 177.49 2b95 h GLN 28 N 7.79 0.13 0.00 2.72 4.20 -0.78 -3.47 115.11 125.69 2b95 h GLN 28 Ca -0.35 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.15 2b95 h GLN 28 Cb 1.16 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2b95 h GLN 28 CO 0.90 0.92 0.00 0.41 -0.67 0.00 0.00 178.83 180.39 2b95 n GLY 29 N 1.59 3.45 3.61 3.46 0.00 -1.19 -4.79 105.19 111.31 2b95 n GLY 29 Ca -0.14 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.94 4.44 0.05 -0.61 1.09 -1.26 -2.84 121.20 121.12 2b95 s ILE 30 Ca 0.00 -0.17 0.09 0.00 -1.10 0.00 0.00 60.65 59.47 2b95 s ILE 30 Cb 0.00 -2.96 -0.03 0.00 -1.06 0.00 0.00 42.46 38.41 2b95 s ILE 30 CO 0.00 0.50 -0.24 -0.63 -0.10 0.00 0.00 174.94 174.47 2b95 s ILE 31 N 0.11 1.98 -0.15 2.92 1.01 -0.82 -2.53 121.20 123.72 2b95 s ILE 31 Ca 0.03 -1.34 -0.01 0.00 0.00 0.00 0.00 60.65 59.33 2b95 s ILE 31 Cb -0.13 -1.70 0.04 0.00 0.01 0.00 0.00 42.46 40.68 2b95 s ILE 31 CO 0.01 0.30 -0.04 -0.69 0.00 0.00 0.00 174.94 174.53 2b95 s VAL 32 N -0.81 0.91 -0.07 2.92 1.01 0.92 -1.27 120.40 124.00 2b95 s VAL 32 Ca 0.10 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.65 2b95 s VAL 32 Cb -0.10 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2b95 s VAL 32 CO 0.02 0.15 -0.13 -0.69 0.00 0.00 0.00 175.10 174.45 2b95 s VAL 33 N 1.72 3.15 0.35 2.92 1.01 -1.06 -1.14 120.40 127.36 2b95 s VAL 33 Ca 0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 2b95 s VAL 33 Cb -0.15 -2.26 0.07 0.00 0.00 0.00 0.00 36.38 34.04 2b95 s VAL 33 CO -0.07 0.57 0.48 -0.46 0.00 0.00 0.00 175.10 175.62 2b95 n ASN 34 N 2.64 0.43 -0.25 3.32 0.23 -1.00 0.03 115.26 120.66 2b95 n ASN 34 Ca -0.17 -1.41 -0.06 0.00 -0.53 0.00 0.00 54.58 52.41 2b95 n ASN 34 Cb 0.52 -0.33 0.09 0.00 -2.08 0.00 0.00 39.78 37.98 2b95 n ASN 34 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 2b95 h THR 35 N -0.74 1.26 0.00 5.53 1.35 -1.84 -2.17 112.91 116.29 2b95 h THR 35 Ca -0.16 -0.88 -0.01 0.00 -0.55 0.00 0.00 66.41 64.81 2b95 h THR 35 Cb 0.53 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.40 2b95 h THR 35 CO 0.15 0.35 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.37 2b95 h GLU 36 N 1.07 0.00 0.00 4.72 5.08 -1.94 -3.46 114.58 120.05 2b95 h GLU 36 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2b95 h GLU 36 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2b95 h GLU 36 CO -0.01 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 2b95 n GLY 37 N -1.15 1.08 3.75 -3.84 0.00 -0.82 -5.09 105.19 99.13 2b95 n GLY 37 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 5.26 -1.18 -0.61 1.01 -1.26 -4.82 121.20 117.60 2b95 s ILE 38 Ca 0.00 0.62 -0.23 0.00 0.00 0.00 0.00 60.65 61.04 2b95 s ILE 38 Cb 0.00 -3.65 -0.09 0.00 0.01 0.00 0.00 42.46 38.73 2b95 s ILE 38 CO 0.00 0.43 1.94 -2.16 0.00 0.00 0.00 174.94 175.14 2b95 s PRO 39 N 0.15 2.49 0.39 2.79 0.04 -1.26 -2.36 135.00 137.24 2b95 s PRO 39 Ca 0.19 -1.16 0.16 0.00 0.04 0.00 0.00 61.00 60.23 2b95 s PRO 39 Cb -0.14 -5.24 1.05 0.00 0.04 0.00 0.00 34.50 30.21 2b95 s PRO 39 CO 0.06 -3.99 1.79 -0.84 0.04 0.00 0.00 177.00 174.06 2b95 h ILE 40 N 6.18 0.59 -3.46 0.56 3.07 -1.50 -3.41 117.51 119.54 2b95 h ILE 40 Ca 0.22 -0.15 -0.16 0.00 1.55 0.00 0.00 64.86 66.31 2b95 h ILE 40 Cb 0.94 0.10 -0.23 0.00 -0.27 0.00 0.00 36.82 37.36 2b95 h ILE 40 CO 1.22 0.08 -0.51 -0.75 -1.05 0.00 0.00 178.15 177.15 2b95 s LYS 41 N -5.52 0.37 -0.14 0.16 2.20 -1.10 -5.01 119.74 110.70 2b95 s LYS 41 Ca -0.09 -0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.04 2b95 s LYS 41 Cb 0.25 0.16 0.12 0.00 -1.51 0.00 0.00 37.83 36.84 2b95 s LYS 41 CO 0.79 -0.08 0.94 -1.54 -0.36 0.00 0.00 175.35 175.10 2b95 s SER 42 N -0.86 -0.43 0.00 1.43 1.04 -1.26 -0.06 113.70 113.57 2b95 s SER 42 Ca -0.09 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2b95 s SER 42 Cb -0.05 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2b95 s SER 42 CO 0.01 -0.39 0.23 0.35 0.98 0.00 0.00 173.24 174.42 2b95 n THR 43 N 0.76 0.00 -1.19 2.02 -2.24 -1.05 -5.01 114.28 107.57 2b95 n THR 43 Ca -0.12 -0.40 -0.04 0.00 -2.27 0.00 0.00 64.05 61.21 2b95 n THR 43 Cb 0.58 1.11 0.03 0.00 -2.10 0.00 0.00 70.33 69.95 2b95 n THR 43 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2b95 n MET 44 N -0.34 -0.16 -1.14 -0.78 2.81 -1.26 -4.91 117.12 111.34 2b95 n MET 44 Ca 0.00 -0.31 -0.30 0.00 -1.81 0.00 0.00 57.70 55.28 2b95 n MET 44 Cb 0.03 -0.20 0.14 0.00 -0.71 0.00 0.00 33.22 32.48 2b95 n MET 44 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2b95 s ASP 45 N -1.72 3.40 0.06 7.83 1.01 -1.26 -4.76 116.67 121.22 2b95 s ASP 45 Ca 0.11 1.56 -0.33 0.00 0.71 0.00 0.00 52.55 54.60 2b95 s ASP 45 Cb -0.00 -2.23 -0.19 0.00 1.01 0.00 0.00 42.92 41.50 2b95 s ASP 45 CO 0.08 -2.70 1.53 -1.13 0.21 0.00 0.00 175.17 173.16 2b95 h ASN 46 N -1.59 -0.88 0.72 0.27 -0.00 -1.99 0.20 115.58 112.32 2b95 h ASN 46 Ca -0.49 0.02 -0.05 0.00 -0.00 0.00 0.00 56.30 55.78 2b95 h ASN 46 Cb 1.28 0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 39.82 2b95 h ASN 46 CO 0.53 -0.60 -0.25 1.55 -0.00 0.00 0.00 177.43 178.67 2b95 h PRO 47 N -1.09 0.00 0.10 6.67 0.13 -2.00 -2.83 132.00 132.97 2b95 h PRO 47 Ca -0.11 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.75 2b95 h PRO 47 Cb 0.80 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.95 2b95 h PRO 47 CO 0.17 0.25 -1.17 1.15 -0.23 0.00 0.00 178.00 178.17 2b95 h THR 48 N 0.00 1.37 0.09 1.56 2.02 -1.90 -2.82 112.91 113.22 2b95 h THR 48 Ca -0.00 -2.61 -0.00 0.00 0.77 0.00 0.00 66.41 64.56 2b95 h THR 48 Cb 0.67 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 2b95 h THR 48 CO 0.03 0.78 -0.04 0.74 0.37 0.00 0.00 175.52 177.40 2b95 h THR 49 N 0.21 1.10 0.03 3.16 2.02 -0.49 -2.32 112.91 116.63 2b95 h THR 49 Ca -0.15 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.33 2b95 h THR 49 Cb 1.85 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 69.81 2b95 h THR 49 CO 0.21 0.17 -0.07 0.74 0.37 0.00 0.00 175.52 176.95 2b95 h THR 50 N -0.44 0.83 -0.45 3.16 2.02 -1.63 -0.37 112.91 116.03 2b95 h THR 50 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.26 2b95 h THR 50 Cb 0.37 0.83 -0.08 0.00 -1.74 0.00 0.00 68.15 67.53 2b95 h THR 50 CO 0.02 0.00 -0.04 -0.61 0.37 0.00 0.00 175.52 175.26 2b95 h GLN 51 N -0.14 0.06 0.33 6.66 -0.00 -1.54 0.19 115.11 120.67 2b95 h GLN 51 Ca 0.02 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 2b95 h GLN 51 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.63 2b95 h GLN 51 CO -0.05 0.04 -0.16 1.88 0.00 0.00 0.00 178.83 180.55 2b95 h TYR 52 N 0.07 -0.41 -0.00 3.99 -1.99 -1.16 -1.98 116.97 115.48 2b95 h TYR 52 Ca 0.22 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.94 2b95 h TYR 52 Cb 0.33 0.14 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 2b95 h TYR 52 CO -0.33 -0.22 0.02 0.00 -0.00 0.00 0.00 178.16 177.64 2b95 h ALA 53 N 0.15 1.05 0.05 3.88 0.00 -0.59 0.29 119.26 124.09 2b95 h ALA 53 Ca -0.05 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 2b95 h ALA 53 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2b95 h ALA 53 CO 0.07 -0.02 -1.05 1.03 0.00 0.00 0.00 179.25 179.28 2b95 h SER 54 N 0.00 0.54 0.41 0.00 0.87 0.09 -3.26 113.55 112.19 2b95 h SER 54 Ca 0.00 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2b95 h SER 54 Cb 0.05 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2b95 h SER 54 CO -0.00 1.30 -0.94 0.00 -0.53 0.00 0.00 176.83 176.66 2b95 n LEU 55 N -3.69 0.63 0.15 2.23 -0.00 -0.39 -4.06 117.00 111.87 2b95 n LEU 55 Ca -0.08 -0.06 -0.06 0.00 -0.00 0.00 0.00 56.01 55.81 2b95 n LEU 55 Cb 0.90 -0.11 -0.03 0.00 -0.00 0.00 0.00 43.42 44.18 2b95 n LEU 55 CO 0.53 0.07 0.35 0.24 -0.00 0.00 0.00 177.39 178.58 2b95 h MET 56 N 0.00 -0.38 -0.79 1.47 2.86 -0.54 0.26 114.93 117.81 2b95 h MET 56 Ca 0.00 0.03 0.17 0.00 -2.06 0.00 0.00 59.70 57.83 2b95 h MET 56 Cb 0.67 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.37 2b95 h MET 56 CO 0.00 -0.25 0.53 1.25 1.06 0.00 0.00 176.91 179.50 2b95 h HIS 57 N -0.53 0.46 0.00 -0.22 -0.00 -1.77 0.26 115.15 113.35 2b95 h HIS 57 Ca -0.04 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.23 2b95 h HIS 57 Cb 0.30 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 2b95 h HIS 57 CO 0.09 0.16 -0.53 1.03 -0.00 0.00 0.00 177.93 178.68 2b95 h SER 58 N 0.38 0.00 0.37 3.26 0.87 -1.69 -2.99 113.55 113.75 2b95 h SER 58 Ca 0.40 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.94 2b95 h SER 58 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2b95 h SER 58 CO -0.13 0.53 -0.18 0.15 -0.53 0.00 0.00 176.83 176.68 2b95 h PHE 59 N 0.00 -0.46 -0.44 2.24 3.57 0.31 -2.31 116.94 119.85 2b95 h PHE 59 Ca -0.01 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.54 2b95 h PHE 59 Cb 1.27 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 40.11 2b95 h PHE 59 CO 0.00 -0.14 0.15 0.82 -2.23 0.00 0.00 178.31 176.91 2b95 h ILE 60 N -0.98 0.85 0.00 1.41 1.08 -1.49 0.13 117.51 118.51 2b95 h ILE 60 Ca -0.05 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 2b95 h ILE 60 Cb 0.52 0.52 -0.00 0.00 -3.07 0.00 0.00 36.82 34.79 2b95 h ILE 60 CO 0.08 0.06 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.50 2b95 h LEU 61 N 0.31 0.00 0.07 1.44 4.07 -1.60 0.24 115.31 119.84 2b95 h LEU 61 Ca 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.16 2b95 h LEU 61 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2b95 h LEU 61 CO -0.22 0.03 -0.04 0.50 -1.08 0.00 0.00 178.44 177.64 2b95 h LYS 62 N 0.00 -0.10 -0.39 1.13 1.63 -0.41 -3.03 116.57 115.40 2b95 h LYS 62 Ca -0.00 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.67 2b95 h LYS 62 Cb 0.10 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 2b95 h LYS 62 CO 0.00 0.46 -0.29 0.00 -3.45 0.00 0.00 179.45 176.18 2b95 h ALA 63 N -0.17 0.75 -0.42 5.00 0.00 -1.05 -2.84 119.26 120.53 2b95 h ALA 63 Ca -0.01 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.54 2b95 h ALA 63 Cb 0.60 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2b95 h ALA 63 CO 0.02 0.66 0.28 -0.09 0.00 0.00 0.00 179.25 180.12 2b95 h ARG 64 N 0.71 0.34 0.00 0.00 2.43 -0.65 0.22 114.38 117.42 2b95 h ARG 64 Ca 0.08 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 2b95 h ARG 64 Cb 0.84 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2b95 h ARG 64 CO 0.07 0.22 -0.47 1.03 -1.51 0.00 0.00 179.97 179.32 2b95 h SER 65 N 0.35 0.00 0.04 -3.80 0.87 -1.38 -3.21 113.55 106.42 2b95 h SER 65 Ca 0.18 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.63 2b95 h SER 65 Cb 0.28 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2b95 h SER 65 CO -0.04 0.47 -0.55 0.74 -0.53 0.00 0.00 176.83 176.91 2b95 h THR 66 N 0.00 1.49 -0.99 2.23 2.02 -0.81 -3.35 112.91 113.50 2b95 h THR 66 Ca -0.00 -2.36 0.18 0.00 0.77 0.00 0.00 66.41 65.00 2b95 h THR 66 Cb 1.31 3.06 -0.10 0.00 -1.74 0.00 0.00 68.15 70.68 2b95 h THR 66 CO 0.06 0.58 0.62 0.58 0.37 0.00 0.00 175.52 177.73 2b95 h VAL 67 N -0.81 0.75 -0.51 3.16 2.07 -0.78 0.23 116.25 120.36 2b95 h VAL 67 Ca -0.13 -0.27 0.15 0.00 0.82 0.00 0.00 66.70 67.27 2b95 h VAL 67 Cb 1.26 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2b95 h VAL 67 CO -0.01 0.14 0.42 0.03 0.02 0.00 0.00 177.57 178.18 2b95 h ARG 68 N 0.78 0.00 -0.01 1.57 2.47 -1.68 0.19 114.38 117.69 2b95 h ARG 68 Ca 0.55 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 59.07 2b95 h ARG 68 Cb 0.85 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.16 2b95 h ARG 68 CO -0.34 0.00 -0.87 0.22 0.56 0.00 0.00 179.97 179.55 2b95 h ASP 69 N 0.00 0.41 -0.28 7.04 3.58 -0.70 -3.28 116.42 123.18 2b95 h ASP 69 Ca 0.24 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 2b95 h ASP 69 Cb 1.08 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 2b95 h ASP 69 CO -0.00 1.10 0.16 0.40 -2.88 0.00 0.00 179.24 178.01 2b95 h ILE 70 N 0.19 1.12 -3.96 2.25 2.04 -0.59 -3.45 117.51 115.10 2b95 h ILE 70 Ca -0.05 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 2b95 h ILE 70 Cb 1.48 0.82 -0.14 0.00 -0.74 0.00 0.00 36.82 38.23 2b95 h ILE 70 CO 0.14 0.12 -0.48 -1.81 0.00 0.00 0.00 178.15 176.12 2b95 s ASP 71 N -5.56 0.25 0.00 1.72 1.01 -1.09 -5.08 116.67 107.93 2b95 s ASP 71 Ca -0.13 -0.78 -0.24 0.00 0.71 0.00 0.00 52.55 52.11 2b95 s ASP 71 Cb 0.09 0.29 -0.18 0.00 1.01 0.00 0.00 42.92 44.13 2b95 s ASP 71 CO 0.71 -0.69 1.30 1.55 0.21 0.00 0.00 175.17 178.25 2b95 h PRO 72 N 2.88 0.15 -4.78 8.23 0.13 -1.89 -3.41 132.00 133.32 2b95 h PRO 72 Ca -0.34 -0.08 -0.66 0.00 -0.87 0.00 0.00 66.00 64.05 2b95 h PRO 72 Cb 1.18 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.94 2b95 h PRO 72 CO 0.59 0.59 -0.79 -0.65 -0.23 0.00 0.00 178.00 177.52 2b95 s GLN 73 N -4.28 2.06 0.33 0.86 -0.21 -1.26 -5.02 119.66 112.14 2b95 s GLN 73 Ca -0.15 -1.38 -0.02 0.00 0.02 0.00 0.00 55.36 53.83 2b95 s GLN 73 Cb 0.03 -2.89 0.01 0.00 1.00 0.00 0.00 33.01 31.16 2b95 s GLN 73 CO 0.71 -0.63 0.47 0.27 -2.12 0.00 0.00 175.29 174.00 2b95 n ASN 74 N 4.44 -1.33 -3.64 5.90 6.94 -1.26 -5.18 115.26 121.13 2b95 n ASN 74 Ca -0.11 -2.77 -0.05 0.00 -0.02 0.00 0.00 54.58 51.63 2b95 n ASN 74 Cb 0.42 2.46 -0.07 0.00 -2.36 0.00 0.00 39.78 40.23 2b95 n ASN 74 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2b95 s ASP 75 N -3.04 -0.77 0.11 0.53 1.01 -1.26 -5.07 116.67 108.18 2b95 s ASP 75 Ca 0.27 1.22 -0.30 0.00 0.71 0.00 0.00 52.55 54.44 2b95 s ASP 75 Cb -0.01 1.36 -0.06 0.00 1.01 0.00 0.00 42.92 45.22 2b95 s ASP 75 CO 0.19 -0.19 1.12 -0.76 0.21 0.00 0.00 175.17 175.74 2b95 s LEU 76 N 1.59 4.43 -0.17 1.23 2.01 -1.26 -4.95 118.68 121.56 2b95 s LEU 76 Ca -0.09 1.99 0.04 0.00 0.01 0.00 0.00 54.13 56.08 2b95 s LEU 76 Cb -0.05 -3.59 -0.22 0.00 0.01 0.00 0.00 46.19 42.34 2b95 s LEU 76 CO -0.18 -0.32 0.16 0.35 1.01 0.00 0.00 176.35 177.37 2b95 n THR 77 N 3.19 1.59 -3.63 5.49 -2.24 -1.26 -4.69 114.28 112.73 2b95 n THR 77 Ca 0.06 -0.69 -0.06 0.00 -2.27 0.00 0.00 64.05 61.09 2b95 n THR 77 Cb 0.47 -1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 67.35 2b95 n THR 77 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2b95 s PHE 78 N -2.54 -0.25 -0.37 4.78 -0.12 -1.26 -4.19 117.98 114.03 2b95 s PHE 78 Ca -0.22 0.55 -0.00 0.00 -0.05 0.00 0.00 56.93 57.21 2b95 s PHE 78 Cb 0.08 0.44 0.10 0.00 -0.63 0.00 0.00 43.02 43.01 2b95 s PHE 78 CO 0.73 -0.16 0.12 -0.51 -0.05 0.00 0.00 175.22 175.35 2b95 s LEU 79 N -0.36 4.93 -0.21 -1.99 1.02 0.86 -4.95 118.68 117.99 2b95 s LEU 79 Ca 0.04 -2.01 -0.09 0.00 0.02 0.00 0.00 54.13 52.09 2b95 s LEU 79 Cb -0.03 -1.74 -0.05 0.00 0.02 0.00 0.00 46.19 44.39 2b95 s LEU 79 CO -0.07 -0.45 0.12 -0.13 0.02 0.00 0.00 176.35 175.83 2b95 s ARG 80 N 1.06 4.07 -0.50 1.70 0.52 -1.26 -2.00 118.95 122.53 2b95 s ARG 80 Ca 0.08 -0.28 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 2b95 s ARG 80 Cb -0.21 -3.40 0.13 0.00 0.52 0.00 0.00 34.95 31.99 2b95 s ARG 80 CO -0.05 0.19 0.24 0.42 0.02 0.00 0.00 175.30 176.12 2b95 s ILE 81 N 0.64 2.44 0.16 1.52 1.01 -1.26 -5.06 121.20 120.66 2b95 s ILE 81 Ca 0.06 -3.17 -0.31 0.00 0.00 0.00 0.00 60.65 57.23 2b95 s ILE 81 Cb -0.12 -2.71 -0.10 0.00 0.01 0.00 0.00 42.46 39.54 2b95 s ILE 81 CO 0.01 -0.79 1.52 -0.60 0.00 0.00 0.00 174.94 175.07 2b95 s ARG 82 N -0.13 4.24 0.00 2.79 6.06 -1.26 -4.26 118.95 126.39 2b95 s ARG 82 Ca 0.17 2.29 0.00 0.00 -2.50 0.00 0.00 55.73 55.68 2b95 s ARG 82 Cb -0.25 -3.17 0.00 0.00 0.06 0.00 0.00 34.95 31.58 2b95 s ARG 82 CO -0.01 -0.55 0.00 0.43 -2.50 0.00 0.00 175.30 172.67 2b95 n SER 83 N 3.83 1.20 -0.13 -2.12 7.64 -1.25 -5.06 113.62 117.73 2b95 n SER 83 Ca 0.13 -1.00 -0.18 0.00 1.01 0.00 0.00 58.87 58.83 2b95 n SER 83 Cb 0.40 0.00 -0.12 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 0.00 0.63 0.02 1.43 5.02 -1.26 -4.64 118.16 119.36 2b95 n LYS 84 Ca 0.00 0.15 -0.11 0.00 -2.02 0.00 0.00 58.31 56.33 2b95 n LYS 84 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.42 2b95 n LYS 84 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2b95 h LYS 85 N -0.03 -0.13 -3.03 1.97 3.11 -2.01 -3.48 116.57 112.97 2b95 h LYS 85 Ca -0.57 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.25 2b95 h LYS 85 Cb 1.87 0.03 -0.13 0.00 -1.00 0.00 0.00 32.23 33.00 2b95 h LYS 85 CO -0.10 0.37 0.14 1.21 -2.81 0.00 0.00 179.45 178.27 2b95 s ASN 86 N -5.63 -0.49 -0.19 4.20 3.84 -1.26 -4.83 114.94 110.57 2b95 s ASN 86 Ca -0.13 -0.02 -0.03 0.00 0.21 0.00 0.00 52.86 52.89 2b95 s ASN 86 Cb 0.00 0.56 -0.01 0.00 -0.55 0.00 0.00 41.25 41.26 2b95 s ASN 86 CO 0.51 -0.91 -0.08 -1.83 -2.79 0.00 0.00 177.10 172.00 2b95 s GLU 87 N -3.57 3.36 -0.19 0.43 -1.05 -1.11 -3.94 118.70 112.63 2b95 s GLU 87 Ca 0.00 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 2b95 s GLU 87 Cb -0.00 -2.88 0.01 0.00 -0.44 0.00 0.00 34.13 30.82 2b95 s GLU 87 CO -0.11 -0.09 -0.17 0.42 0.95 0.00 0.00 175.26 176.26 2b95 s ILE 88 N 1.15 2.31 0.17 1.83 1.09 -1.26 -2.93 121.20 123.56 2b95 s ILE 88 Ca 0.02 -0.86 -0.17 0.00 -1.10 0.00 0.00 60.65 58.53 2b95 s ILE 88 Cb -0.14 -1.99 -0.07 0.00 -1.06 0.00 0.00 42.46 39.19 2b95 s ILE 88 CO -0.02 0.51 0.62 -0.04 -0.10 0.00 0.00 174.94 175.92 2b95 s MET 89 N 1.32 4.13 -0.27 2.79 -1.94 -0.78 -3.98 119.30 120.58 2b95 s MET 89 Ca 0.05 0.69 -0.02 0.00 -1.71 0.00 0.00 55.69 54.70 2b95 s MET 89 Cb -0.13 -2.96 0.12 0.00 2.01 0.00 0.00 34.83 33.86 2b95 s MET 89 CO -0.11 0.47 0.24 0.08 -0.01 0.00 0.00 175.02 175.69 2b95 s VAL 90 N -1.43 -0.31 0.13 -6.03 1.01 -0.85 -2.80 120.40 110.12 2b95 s VAL 90 Ca 0.39 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2b95 s VAL 90 Cb -0.16 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2b95 s VAL 90 CO 0.20 -0.45 -0.21 0.00 0.00 0.00 0.00 175.10 174.63 2b95 s ALA 91 N 2.30 2.02 0.24 5.51 0.00 -1.24 -0.10 121.76 130.48 2b95 s ALA 91 Ca 0.09 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 2b95 s ALA 91 Cb -0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.63 2b95 s ALA 91 CO -0.28 0.36 1.28 -1.25 0.00 0.00 0.00 175.76 175.86 2b95 s PRO 92 N -2.27 4.42 0.00 0.00 0.04 -1.26 -3.41 135.00 132.52 2b95 s PRO 92 Ca 0.12 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2b95 s PRO 92 Cb -0.09 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2b95 s PRO 92 CO 0.06 -0.17 0.00 -3.47 0.04 0.00 0.00 177.00 173.46 2b95 n ASP 93 N 2.05 1.62 -0.08 6.66 -0.08 -0.18 -4.97 116.55 121.58 2b95 n ASP 93 Ca 0.04 -0.96 -0.07 0.00 -1.51 0.00 0.00 54.79 52.28 2b95 n ASP 93 Cb 0.43 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.88 2b95 n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2b95 h LYS 94 N 0.00 -0.17 0.00 -0.67 1.57 -2.02 -3.37 116.57 111.91 2b95 h LYS 94 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2b95 h LYS 94 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2b95 h LYS 94 CO 0.00 -0.12 -0.17 -0.25 -0.57 0.00 0.00 179.45 178.35 2b95 n ASP 95 N -5.37 0.00 -2.70 0.86 8.00 -1.26 -5.13 116.55 110.96 2b95 n ASP 95 Ca 0.00 -1.33 -0.13 0.00 0.71 0.00 0.00 54.79 54.04 2b95 n ASP 95 Cb 0.28 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.28 2b95 n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b95 n TYR 96 N 0.00 -1.08 -4.02 1.24 4.11 -1.26 -2.52 117.16 113.62 2b95 n TYR 96 Ca 0.00 -2.04 -0.28 0.00 -0.00 0.00 0.00 57.90 55.58 2b95 n TYR 96 Cb 0.57 0.39 -0.17 0.00 -0.00 0.00 0.00 39.34 40.13 2b95 n TYR 96 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2b95 s PHE 97 N -3.23 1.79 0.15 -3.48 0.08 0.10 -1.01 117.98 112.39 2b95 s PHE 97 Ca 0.26 -0.93 -0.26 0.00 0.12 0.00 0.00 56.93 56.12 2b95 s PHE 97 Cb -0.00 -1.38 -0.08 0.00 -0.57 0.00 0.00 43.02 40.99 2b95 s PHE 97 CO 0.19 -0.56 0.79 -1.17 -0.10 0.00 0.00 175.22 174.36 2b95 s LEU 98 N 1.52 4.58 -0.22 -0.37 0.20 -1.22 -2.55 118.68 120.62 2b95 s LEU 98 Ca 0.03 1.64 -0.00 0.00 0.69 0.00 0.00 54.13 56.49 2b95 s LEU 98 Cb -0.13 -3.31 0.06 0.00 -0.43 0.00 0.00 46.19 42.38 2b95 s LEU 98 CO -0.08 0.18 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.49 2b95 s ILE 99 N -0.98 1.26 -0.32 6.68 1.09 -0.40 -3.70 121.20 124.82 2b95 s ILE 99 Ca 0.37 -1.00 -0.08 0.00 -1.10 0.00 0.00 60.65 58.84 2b95 s ILE 99 Cb -0.23 -1.56 0.02 0.00 -1.06 0.00 0.00 42.46 39.62 2b95 s ILE 99 CO 0.26 -0.09 0.12 -0.69 -0.10 0.00 0.00 174.94 174.44 2b95 s VAL 100 N 1.53 4.14 -0.18 2.92 1.01 -1.12 -1.94 120.40 126.75 2b95 s VAL 100 Ca -0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 2b95 s VAL 100 Cb -0.18 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2b95 s VAL 100 CO -0.07 -0.04 -0.02 -0.63 0.00 0.00 0.00 175.10 174.34 2b95 s ILE 101 N 1.50 3.93 0.03 2.22 1.01 -1.13 -1.86 121.20 126.90 2b95 s ILE 101 Ca 0.02 -0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 2b95 s ILE 101 Cb -0.18 -2.75 0.10 0.00 0.01 0.00 0.00 42.46 39.64 2b95 s ILE 101 CO 0.04 0.46 1.03 0.00 0.00 0.00 0.00 174.94 176.47 2b95 s GLN 102 N 0.66 0.82 0.97 2.79 -2.07 -1.15 -0.01 119.66 121.66 2b95 s GLN 102 Ca -0.01 -0.40 -0.13 0.00 -1.82 0.00 0.00 55.36 52.99 2b95 s GLN 102 Cb -0.14 0.32 0.03 0.00 -1.09 0.00 0.00 33.01 32.13 2b95 s GLN 102 CO 0.02 -0.37 0.30 0.09 -1.32 0.00 0.00 175.29 174.01 2b95 n ASN 103 N -0.35 -2.33 -4.77 12.60 3.02 -0.54 -2.76 115.26 120.13 2b95 n ASN 103 Ca -0.07 0.28 -0.35 0.00 -0.03 0.00 0.00 54.58 54.42 2b95 n ASN 103 Cb 0.61 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2b95 n ASN 103 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2b95 s PRO 104 N -3.53 3.38 -0.17 3.52 0.04 -1.26 -4.67 135.00 132.31 2b95 s PRO 104 Ca 0.56 1.62 0.06 0.00 0.04 0.00 0.00 61.00 63.27 2b95 s PRO 104 Cb -0.20 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.17 2b95 s PRO 104 CO 0.68 -0.83 -0.09 0.25 0.04 0.00 0.00 177.00 177.06 2b95 n THR 105 N -1.25 1.03 -0.28 1.26 -2.24 -1.26 -5.09 114.28 106.46 2b95 n THR 105 Ca 0.11 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2b95 n THR 105 Cb 0.51 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 2b95 n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71