#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 1.59 -0.24 3.04 0.00 -2.05 -1.35 119.26 120.25 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 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2b95 h ALA 12 CO 0.00 -0.00 -0.16 1.49 0.00 0.00 0.00 179.25 180.57 2b95 h GLU 13 N 0.79 -0.15 -0.49 0.00 4.81 -2.06 0.21 114.58 117.69 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 0.80 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2b95 h GLU 13 CO -0.36 -0.10 0.09 0.28 -0.73 0.00 0.00 179.01 178.19 2b95 h VAL 14 N -0.15 1.22 -0.36 0.32 2.07 -1.72 -2.83 116.25 114.79 2b95 h VAL 14 Ca 0.13 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2b95 h VAL 14 Cb 0.35 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2b95 h VAL 14 CO -0.33 0.30 0.06 -0.33 0.02 0.00 0.00 177.57 177.29 2b95 h GLU 15 N 0.72 0.60 -0.89 1.57 5.08 -0.40 -0.04 114.58 121.23 2b95 h GLU 15 Ca 0.16 -0.16 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2b95 h GLU 15 Cb 0.31 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2b95 h GLU 15 CO 0.00 0.67 0.58 1.49 -1.00 0.00 0.00 179.01 180.75 2b95 h GLU 16 N 0.44 0.93 0.00 2.33 4.22 -0.41 -0.25 114.58 121.83 2b95 h GLU 16 Ca 0.11 -0.06 -0.12 0.00 0.08 0.00 0.00 59.36 59.37 2b95 h GLU 16 Cb 0.36 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2b95 h GLU 16 CO 0.01 0.61 -0.59 1.15 -2.18 0.00 0.00 179.01 178.00 2b95 h THR 17 N 0.95 0.99 -0.24 0.32 2.02 -1.28 -3.24 112.91 112.44 2b95 h THR 17 Ca 0.39 -2.40 -0.20 0.00 0.77 0.00 0.00 66.41 64.97 2b95 h THR 17 Cb 0.29 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 2b95 h THR 17 CO -0.16 0.56 -0.62 -0.07 0.37 0.00 0.00 175.52 175.61 2b95 h LEU 18 N 0.00 0.96 -0.35 2.58 4.07 0.38 -1.61 115.31 121.34 2b95 h LEU 18 Ca -0.01 -0.57 -0.01 0.00 0.08 0.00 0.00 57.88 57.38 2b95 h LEU 18 Cb 1.45 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.89 2b95 h LEU 18 CO 0.08 1.35 0.20 0.11 -1.08 0.00 0.00 178.44 179.09 2b95 h LYS 19 N 0.61 0.48 -0.08 1.13 1.79 -1.17 0.19 116.57 119.52 2b95 h LYS 19 Ca -0.01 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.29 2b95 h LYS 19 Cb 1.24 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 2b95 h LYS 19 CO 0.13 0.39 -0.48 -0.09 -1.08 0.00 0.00 179.45 178.33 2b95 h ARG 20 N 0.44 0.19 0.22 3.15 9.65 -1.58 -1.52 114.38 124.92 2b95 h ARG 20 Ca 0.12 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2b95 h ARG 20 Cb 0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 2b95 h ARG 20 CO -0.02 0.63 -0.10 -0.07 2.80 0.00 0.00 179.97 183.20 2b95 h LEU 21 N 0.15 -0.24 -2.22 3.80 4.07 -0.89 -2.55 115.31 117.43 2b95 h LEU 21 Ca 0.01 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.68 2b95 h LEU 21 Cb 0.90 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.70 2b95 h LEU 21 CO 0.07 0.25 -0.05 -0.61 -1.08 0.00 0.00 178.44 177.03 2b95 h GLN 22 N -0.85 0.00 0.00 1.13 4.15 -0.67 -1.30 115.11 117.57 2b95 h GLN 22 Ca -0.03 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 2b95 h GLN 22 Cb 0.51 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 2b95 h GLN 22 CO 0.05 0.05 -0.30 1.03 -1.93 0.00 0.00 178.83 177.73 2b95 h SER 23 N 0.00 0.00 -2.61 -0.69 0.87 -1.24 -3.45 113.55 106.42 2b95 h SER 23 Ca -0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2b95 h SER 23 Cb 0.23 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2b95 h SER 23 CO 0.01 0.30 -0.48 0.00 -0.53 0.00 0.00 176.83 176.12 2b95 s GLN 24 N -3.09 3.35 0.50 2.24 -2.07 -0.49 -5.07 119.66 115.04 2b95 s GLN 24 Ca 0.05 -0.63 -0.18 0.00 -1.82 0.00 0.00 55.36 52.78 2b95 s GLN 24 Cb 0.07 -2.92 -0.08 0.00 -1.09 0.00 0.00 33.01 28.99 2b95 s GLN 24 CO 0.71 0.52 1.01 0.21 -1.32 0.00 0.00 175.29 176.42 2b95 s LYS 25 N -3.15 3.83 0.00 9.60 2.36 -1.26 -4.09 119.74 127.03 2b95 s LYS 25 Ca 0.34 1.17 0.00 0.00 -2.55 0.00 0.00 55.97 54.92 2b95 s LYS 25 Cb -0.11 -2.11 0.00 0.00 -1.05 0.00 0.00 37.83 34.56 2b95 s LYS 25 CO 0.28 -0.38 0.00 0.41 1.55 0.00 0.00 175.35 177.20 2b95 n GLY 26 N -0.85 3.15 3.67 5.54 0.00 -1.26 -5.03 105.19 110.42 2b95 n GLY 26 Ca 0.08 -0.86 -0.51 0.00 0.00 0.00 0.00 46.02 44.73 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 0.27 -0.03 1.61 0.31 -1.26 -3.07 118.33 116.16 2b95 n VAL 27 Ca 0.00 -0.05 -0.09 0.00 -0.01 0.00 0.00 64.34 64.19 2b95 n VAL 27 Cb 0.00 -1.41 -0.14 0.00 -0.91 0.00 0.00 33.84 31.37 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 4.81 0.64 0.00 5.55 6.02 0.10 -4.94 117.38 129.57 2b95 n GLN 28 Ca 0.22 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 2b95 n GLN 28 Cb 0.23 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.73 2b95 n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2b95 n GLY 29 N 1.60 3.53 3.29 1.08 0.00 -1.12 -4.87 105.19 108.71 2b95 n GLY 29 Ca -0.20 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.39 2.45 0.00 -0.61 1.09 -1.26 -1.52 121.20 119.97 2b95 s ILE 30 Ca 0.00 -0.89 0.08 0.00 -1.10 0.00 0.00 60.65 58.74 2b95 s ILE 30 Cb 0.00 -1.97 -0.02 0.00 -1.06 0.00 0.00 42.46 39.41 2b95 s ILE 30 CO 0.00 0.55 -0.24 -0.63 -0.10 0.00 0.00 174.94 174.52 2b95 s ILE 31 N 0.24 2.30 -0.21 2.92 1.01 0.84 -2.90 121.20 125.39 2b95 s ILE 31 Ca -0.13 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.37 2b95 s ILE 31 Cb -0.16 -1.86 0.05 0.00 0.01 0.00 0.00 42.46 40.49 2b95 s ILE 31 CO 0.07 0.48 -0.07 -0.69 0.00 0.00 0.00 174.94 174.73 2b95 s VAL 32 N -0.73 1.52 -0.07 2.92 1.01 0.88 -0.47 120.40 125.46 2b95 s VAL 32 Ca 0.11 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2b95 s VAL 32 Cb -0.10 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2b95 s VAL 32 CO 0.01 0.02 -0.07 -0.69 0.00 0.00 0.00 175.10 174.37 2b95 s VAL 33 N 1.42 3.69 0.32 2.92 1.01 -1.10 -0.05 120.40 128.61 2b95 s VAL 33 Ca -0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2b95 s VAL 33 Cb -0.17 -2.50 0.06 0.00 0.00 0.00 0.00 36.38 33.77 2b95 s VAL 33 CO -0.07 0.60 0.44 -0.46 0.00 0.00 0.00 175.10 175.61 2b95 n ASN 34 N 2.22 0.59 -0.22 3.32 0.23 -0.78 -0.09 115.26 120.52 2b95 n ASN 34 Ca -0.18 -1.50 -0.03 0.00 -0.53 0.00 0.00 54.58 52.34 2b95 n ASN 34 Cb 0.53 -0.29 0.16 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.49 1.23 0.00 5.53 1.35 -1.78 -1.79 112.91 116.96 2b95 h THR 35 Ca -0.15 -0.67 -0.03 0.00 -0.55 0.00 0.00 66.41 65.02 2b95 h THR 35 Cb 0.54 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.30 2b95 h THR 35 CO 0.16 0.28 -0.13 -0.33 -0.25 0.00 0.00 175.52 175.25 2b95 h GLU 36 N 1.01 0.00 0.00 4.72 5.08 -1.94 -3.46 114.58 119.99 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 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2b95 h GLU 36 CO -0.03 0.13 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 2b95 n GLY 37 N -0.81 0.79 3.74 -3.84 0.00 -0.67 -5.09 105.19 99.31 2b95 n GLY 37 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 5.01 -1.18 -0.61 1.01 -1.26 -4.76 121.20 117.41 2b95 s ILE 38 Ca 0.00 1.24 -0.23 0.00 0.00 0.00 0.00 60.65 61.66 2b95 s ILE 38 Cb 0.00 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.45 2b95 s ILE 38 CO 0.00 0.35 1.93 -2.16 0.00 0.00 0.00 174.94 175.07 2b95 s PRO 39 N 0.26 2.49 0.38 2.79 0.04 -1.26 -1.87 135.00 137.83 2b95 s PRO 39 Ca 0.32 -1.16 0.15 0.00 0.04 0.00 0.00 61.00 60.35 2b95 s PRO 39 Cb -0.17 -5.24 1.02 0.00 0.04 0.00 0.00 34.50 30.14 2b95 s PRO 39 CO 0.16 -3.98 1.78 -0.84 0.04 0.00 0.00 177.00 174.15 2b95 h ILE 40 N 6.19 0.57 -3.98 0.56 3.07 -0.82 -3.41 117.51 119.70 2b95 h ILE 40 Ca 0.22 -0.16 -0.35 0.00 1.55 0.00 0.00 64.86 66.11 2b95 h ILE 40 Cb 0.94 0.05 -0.24 0.00 -0.27 0.00 0.00 36.82 37.30 2b95 h ILE 40 CO 1.22 0.09 -0.76 -0.54 -1.05 0.00 0.00 178.15 177.11 2b95 s LYS 41 N -5.57 0.66 -0.23 0.16 -0.14 -0.91 -5.00 119.74 108.71 2b95 s LYS 41 Ca -0.09 -0.66 -0.27 0.00 -1.36 0.00 0.00 55.97 53.59 2b95 s LYS 41 Cb 0.25 -0.57 0.12 0.00 -1.68 0.00 0.00 37.83 35.95 2b95 s LYS 41 CO 0.80 0.13 0.98 0.45 -0.76 0.00 0.00 175.35 176.95 2b95 s SER 42 N -1.16 -0.46 0.00 2.83 0.15 -1.26 -0.09 113.70 113.71 2b95 s SER 42 Ca -0.03 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.39 2b95 s SER 42 Cb -0.08 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2b95 s SER 42 CO 0.01 -0.24 0.27 0.35 1.20 0.00 0.00 173.24 174.83 2b95 n THR 43 N 1.75 0.00 -1.97 6.45 -2.24 -1.14 -5.04 114.28 112.09 2b95 n THR 43 Ca -0.12 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2b95 n THR 43 Cb 0.56 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 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 -0.19 0.97 -1.03 -0.78 1.56 -1.26 -4.92 117.12 111.47 2b95 n MET 44 Ca 0.00 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.12 2b95 n MET 44 Cb 0.05 0.00 0.13 0.00 2.15 0.00 0.00 33.22 35.55 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 -1.00 3.74 0.02 6.12 1.11 -1.26 -4.83 116.67 120.57 2b95 s ASP 45 Ca 0.00 2.06 -0.26 0.00 0.18 0.00 0.00 52.55 54.53 2b95 s ASP 45 Cb 0.00 -2.55 -0.16 0.00 1.07 0.00 0.00 42.92 41.28 2b95 s ASP 45 CO 0.00 -2.56 1.22 -1.13 1.18 0.00 0.00 175.17 173.88 2b95 h ASN 46 N -1.34 -0.58 0.74 0.27 -0.00 -1.99 -0.63 115.58 112.04 2b95 h ASN 46 Ca -0.44 -0.06 -0.05 0.00 -0.00 0.00 0.00 56.30 55.75 2b95 h ASN 46 Cb 1.26 0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 39.72 2b95 h ASN 46 CO 0.47 -0.23 -0.23 1.55 -0.00 0.00 0.00 177.43 178.98 2b95 h PRO 47 N -0.98 0.00 0.06 6.67 0.13 -1.99 -2.34 132.00 133.55 2b95 h PRO 47 Ca -0.07 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.78 2b95 h PRO 47 Cb 0.61 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.77 2b95 h PRO 47 CO 0.12 0.23 -1.14 1.15 -0.23 0.00 0.00 178.00 178.13 2b95 h THR 48 N 0.00 1.28 -0.08 1.56 2.02 -1.93 -3.08 112.91 112.68 2b95 h THR 48 Ca -0.00 -2.34 -0.04 0.00 0.77 0.00 0.00 66.41 64.79 2b95 h THR 48 Cb 0.67 2.53 -0.00 0.00 -1.74 0.00 0.00 68.15 69.60 2b95 h THR 48 CO 0.03 0.72 -0.11 0.74 0.37 0.00 0.00 175.52 177.27 2b95 h THR 49 N 0.34 1.39 -0.74 3.16 2.02 -1.02 -2.48 112.91 115.60 2b95 h THR 49 Ca -0.16 -1.36 0.14 0.00 0.77 0.00 0.00 66.41 65.80 2b95 h THR 49 Cb 1.80 2.11 -0.05 0.00 -1.74 0.00 0.00 68.15 70.28 2b95 h THR 49 CO 0.22 0.38 0.49 0.74 0.37 0.00 0.00 175.52 177.72 2b95 h THR 50 N -0.24 0.83 -0.08 3.16 2.02 -1.54 0.21 112.91 117.27 2b95 h THR 50 Ca 0.01 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 2b95 h THR 50 Cb 0.67 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2b95 h THR 50 CO 0.03 0.08 -0.30 -0.61 0.37 0.00 0.00 175.52 175.09 2b95 h GLN 51 N 0.46 0.34 0.14 6.66 -0.00 -1.49 -2.64 115.11 118.57 2b95 h GLN 51 Ca 0.36 -0.26 -0.01 0.00 -0.00 0.00 0.00 58.65 58.74 2b95 h GLN 51 Cb 0.76 0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.29 2b95 h GLN 51 CO -0.12 0.89 -0.07 1.88 0.00 0.00 0.00 178.83 181.42 2b95 h TYR 52 N -0.15 -0.17 0.00 3.99 -1.99 -0.84 -2.42 116.97 115.39 2b95 h TYR 52 Ca -0.02 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2b95 h TYR 52 Cb 0.94 0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.72 2b95 h TYR 52 CO 0.13 0.08 0.00 0.00 -0.00 0.00 0.00 178.16 178.36 2b95 h ALA 53 N 0.42 1.00 0.08 3.88 0.00 -0.73 0.27 119.26 124.19 2b95 h ALA 53 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2b95 h ALA 53 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2b95 h ALA 53 CO 0.03 -0.00 -0.04 1.03 0.00 0.00 0.00 179.25 180.27 2b95 h SER 54 N 0.00 -0.10 1.40 0.00 0.87 -1.06 -3.30 113.55 111.36 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 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2b95 h SER 54 CO 0.00 0.57 0.00 0.17 -0.53 0.00 0.00 176.83 177.04 2b95 h LEU 55 N -0.91 0.00 0.19 2.23 8.10 -1.07 -3.32 115.31 120.53 2b95 h LEU 55 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 2b95 h LEU 55 Cb 0.56 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.77 2b95 h LEU 55 CO 0.02 0.00 -0.16 -0.03 -4.11 0.00 0.00 178.44 174.16 2b95 h MET 56 N 0.00 -0.33 -0.94 0.17 4.05 -0.55 -0.60 114.93 116.72 2b95 h MET 56 Ca 0.00 0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.59 2b95 h MET 56 Cb 0.70 0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.50 2b95 h MET 56 CO 0.00 -0.22 0.60 1.25 0.23 0.00 0.00 176.91 178.76 2b95 h HIS 57 N -0.35 0.93 0.00 1.39 -0.00 -1.69 0.25 115.15 115.69 2b95 h HIS 57 Ca -0.02 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2b95 h HIS 57 Cb 0.29 -0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2b95 h HIS 57 CO -0.08 0.34 -0.07 1.03 -0.00 0.00 0.00 177.93 179.15 2b95 h SER 58 N 0.78 0.00 0.12 3.26 0.87 -1.59 -1.15 113.55 115.84 2b95 h SER 58 Ca 0.48 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.03 2b95 h SER 58 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2b95 h SER 58 CO -0.24 0.07 -0.06 0.15 -0.53 0.00 0.00 176.83 176.22 2b95 h PHE 59 N 0.00 -0.15 -0.81 2.24 3.04 0.11 -2.85 116.94 118.52 2b95 h PHE 59 Ca -0.00 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.01 2b95 h PHE 59 Cb 0.19 0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.69 2b95 h PHE 59 CO 0.00 0.14 0.48 0.82 -2.02 0.00 0.00 178.31 177.73 2b95 h ILE 60 N -1.00 1.00 0.00 1.41 1.08 -1.35 0.02 117.51 118.66 2b95 h ILE 60 Ca -0.02 -0.30 -0.03 0.00 -0.39 0.00 0.00 64.86 64.12 2b95 h ILE 60 Cb 0.36 0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.15 2b95 h ILE 60 CO 0.03 0.16 -0.16 -0.07 -0.69 0.00 0.00 178.15 177.42 2b95 h LEU 61 N 0.87 0.00 0.05 1.44 4.07 -1.33 0.24 115.31 120.65 2b95 h LEU 61 Ca 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.32 2b95 h LEU 61 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2b95 h LEU 61 CO -0.19 0.16 -0.02 0.11 -1.08 0.00 0.00 178.44 177.42 2b95 h LYS 62 N 0.00 -0.06 0.19 1.13 6.56 -0.80 -2.86 116.57 120.73 2b95 h LYS 62 Ca -0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 2b95 h LYS 62 Cb 0.34 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 2b95 h LYS 62 CO 0.02 0.54 -0.09 0.00 -2.06 0.00 0.00 179.45 177.86 2b95 h ALA 63 N -0.24 -0.25 -0.58 3.86 0.00 -1.07 -2.40 119.26 118.57 2b95 h ALA 63 Ca -0.01 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.90 2b95 h ALA 63 Cb 0.63 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2b95 h ALA 63 CO 0.01 -0.49 0.42 -0.09 0.00 0.00 0.00 179.25 179.10 2b95 h ARG 64 N -0.55 0.05 -0.04 0.00 2.43 -0.68 0.31 114.38 115.89 2b95 h ARG 64 Ca -0.03 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 2b95 h ARG 64 Cb 0.42 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2b95 h ARG 64 CO 0.04 0.03 -0.77 1.03 -1.51 0.00 0.00 179.97 178.79 2b95 h SER 65 N 0.05 0.34 0.74 -3.80 0.87 -1.31 -3.23 113.55 107.22 2b95 h SER 65 Ca 0.28 -0.24 -0.25 0.00 -1.23 0.00 0.00 61.79 60.35 2b95 h SER 65 Cb 1.04 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 2b95 h SER 65 CO -0.02 0.98 -1.23 0.74 -0.53 0.00 0.00 176.83 176.78 2b95 h THR 66 N 0.18 1.47 -0.98 2.23 2.02 -0.28 -3.31 112.91 114.24 2b95 h THR 66 Ca -0.03 -3.14 0.17 0.00 0.77 0.00 0.00 66.41 64.17 2b95 h THR 66 Cb 1.35 2.83 -0.09 0.00 -1.74 0.00 0.00 68.15 70.50 2b95 h THR 66 CO 0.12 0.88 0.61 0.58 0.37 0.00 0.00 175.52 178.09 2b95 h VAL 67 N 0.04 0.78 -0.27 3.16 2.07 -0.55 0.24 116.25 121.72 2b95 h VAL 67 Ca -0.11 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.21 2b95 h VAL 67 Cb 1.90 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2b95 h VAL 67 CO 0.15 0.14 0.29 0.03 0.02 0.00 0.00 177.57 178.20 2b95 h ARG 68 N 0.79 0.00 0.04 1.57 2.47 -1.65 0.12 114.38 117.73 2b95 h ARG 68 Ca 0.53 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 59.01 2b95 h ARG 68 Cb 0.78 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.08 2b95 h ARG 68 CO -0.30 0.00 -1.14 -0.44 0.56 0.00 0.00 179.97 178.65 2b95 h ASP 69 N 0.00 0.14 0.23 7.04 3.32 -0.72 -3.26 116.42 123.17 2b95 h ASP 69 Ca 0.13 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 2b95 h ASP 69 Cb 0.70 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2b95 h ASP 69 CO -0.00 1.13 -0.19 0.40 -1.72 0.00 0.00 179.24 178.86 2b95 h ILE 70 N 0.03 1.05 -2.36 0.35 2.04 -0.63 -3.45 117.51 114.53 2b95 h ILE 70 Ca -0.07 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.21 2b95 h ILE 70 Cb 1.86 1.37 -0.15 0.00 -0.74 0.00 0.00 36.82 39.16 2b95 h ILE 70 CO 0.15 0.19 0.46 -1.81 0.00 0.00 0.00 178.15 177.14 2b95 s ASP 71 N -6.86 -0.38 0.01 1.72 1.01 -1.09 -5.07 116.67 106.01 2b95 s ASP 71 Ca -0.04 -0.02 -0.23 0.00 0.71 0.00 0.00 52.55 52.97 2b95 s ASP 71 Cb 0.15 0.41 -0.18 0.00 1.01 0.00 0.00 42.92 44.32 2b95 s ASP 71 CO 0.68 -0.67 1.30 1.55 0.21 0.00 0.00 175.17 178.24 2b95 h PRO 72 N 2.00 0.16 -5.32 8.23 0.13 -1.89 -3.40 132.00 131.91 2b95 h PRO 72 Ca -0.23 -0.08 -0.67 0.00 -0.87 0.00 0.00 66.00 64.14 2b95 h PRO 72 Cb 1.25 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.08 2b95 h PRO 72 CO 0.31 0.60 -0.83 -0.65 -0.23 0.00 0.00 178.00 177.20 2b95 s GLN 73 N -4.28 3.19 0.06 0.86 -0.21 -1.26 -5.02 119.66 113.01 2b95 s GLN 73 Ca -0.15 -0.79 -0.12 0.00 0.02 0.00 0.00 55.36 54.31 2b95 s GLN 73 Cb 0.03 -2.45 0.04 0.00 1.00 0.00 0.00 33.01 31.63 2b95 s GLN 73 CO 0.71 0.18 0.58 -1.71 -2.12 0.00 0.00 175.29 172.93 2b95 n ASN 74 N 3.58 -0.81 -3.64 5.90 2.85 -1.26 -5.14 115.26 116.74 2b95 n ASN 74 Ca -0.19 -1.35 -0.02 0.00 -0.11 0.00 0.00 54.58 52.91 2b95 n ASN 74 Cb 0.53 1.29 -0.06 0.00 1.24 0.00 0.00 39.78 42.78 2b95 n ASN 74 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2b95 s ASP 75 N -2.34 -0.53 0.11 1.20 -1.08 -1.26 -5.11 116.67 107.66 2b95 s ASP 75 Ca 0.13 0.84 -0.31 0.00 -0.52 0.00 0.00 52.55 52.69 2b95 s ASP 75 Cb -0.01 1.23 -0.07 0.00 -1.46 0.00 0.00 42.92 42.61 2b95 s ASP 75 CO 0.02 -0.13 1.28 -0.22 0.52 0.00 0.00 175.17 176.63 2b95 s LEU 76 N 1.39 4.39 -0.01 -1.34 1.98 -1.26 -4.90 118.68 118.92 2b95 s LEU 76 Ca -0.09 2.19 0.03 0.00 -2.89 0.00 0.00 54.13 53.37 2b95 s LEU 76 Cb -0.04 -3.59 -0.04 0.00 0.66 0.00 0.00 46.19 43.19 2b95 s LEU 76 CO -0.15 -0.52 0.04 0.35 -1.89 0.00 0.00 176.35 174.17 2b95 n THR 77 N 3.59 0.08 -3.53 3.68 -2.24 -1.26 -4.66 114.28 109.93 2b95 n THR 77 Ca 0.09 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 2b95 n THR 77 Cb 0.44 -0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.46 2b95 n THR 77 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2b95 s PHE 78 N -2.13 -0.53 -0.29 4.78 0.08 -1.26 -4.50 117.98 114.12 2b95 s PHE 78 Ca -0.01 0.72 0.05 0.00 0.12 0.00 0.00 56.93 57.81 2b95 s PHE 78 Cb 0.01 0.40 0.19 0.00 -0.57 0.00 0.00 43.02 43.05 2b95 s PHE 78 CO 0.11 -0.65 0.57 -1.17 -0.10 0.00 0.00 175.22 173.98 2b95 s LEU 79 N -1.74 -1.52 0.24 -0.37 2.96 -0.24 -4.95 118.68 113.06 2b95 s LEU 79 Ca -0.07 0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.08 2b95 s LEU 79 Cb -0.01 1.94 -0.05 0.00 0.50 0.00 0.00 46.19 48.57 2b95 s LEU 79 CO 0.02 -0.30 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.55 2b95 s ARG 80 N 2.80 1.41 -0.37 1.98 3.00 -1.26 -2.04 118.95 124.47 2b95 s ARG 80 Ca 0.11 -1.69 0.03 0.00 0.00 0.00 0.00 55.73 54.18 2b95 s ARG 80 Cb -0.11 -0.94 0.16 0.00 0.00 0.00 0.00 34.95 34.06 2b95 s ARG 80 CO -0.26 0.03 0.39 0.96 0.00 0.00 0.00 175.30 176.42 2b95 s ILE 81 N -3.15 -0.39 0.09 1.52 -4.36 -1.26 -5.04 121.20 108.62 2b95 s ILE 81 Ca 0.27 -0.89 -0.31 0.00 -0.26 0.00 0.00 60.65 59.46 2b95 s ILE 81 Cb 0.03 -0.64 -0.09 0.00 1.25 0.00 0.00 42.46 43.01 2b95 s ILE 81 CO 0.09 -0.53 1.73 -0.13 0.24 0.00 0.00 174.94 176.34 2b95 s ARG 82 N 1.52 4.17 0.00 0.37 3.00 -1.26 -4.42 118.95 122.33 2b95 s ARG 82 Ca 0.16 2.45 0.00 0.00 0.00 0.00 0.00 55.73 58.34 2b95 s ARG 82 Cb -0.14 -3.60 0.00 0.00 0.00 0.00 0.00 34.95 31.21 2b95 s ARG 82 CO -0.05 -0.78 0.00 0.43 0.00 0.00 0.00 175.30 174.89 2b95 n SER 83 N 5.64 1.95 0.15 0.23 7.64 -1.24 -5.02 113.62 122.97 2b95 n SER 83 Ca 0.17 -1.00 0.05 0.00 1.01 0.00 0.00 58.87 59.10 2b95 n SER 83 Cb 0.39 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.65 2b95 n SER 83 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2b95 h LYS 84 N 0.00 0.00 0.00 1.43 1.57 -2.04 -3.35 116.57 114.17 2b95 h LYS 84 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b95 h LYS 84 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2b95 h LYS 84 CO 0.00 0.34 -0.04 0.87 -0.57 0.00 0.00 179.45 180.05 2b95 h LYS 85 N 0.00 0.00 -1.07 3.15 1.79 -1.99 -3.50 116.57 114.95 2b95 h LYS 85 Ca -0.01 0.00 0.35 0.00 -2.18 0.00 0.00 60.65 58.81 2b95 h LYS 85 Cb 1.29 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.76 2b95 h LYS 85 CO 0.04 0.45 0.97 0.54 -1.08 0.00 0.00 179.45 180.38 2b95 s ASN 86 N -5.87 -0.01 0.20 0.86 4.22 -1.26 -4.82 114.94 108.25 2b95 s ASN 86 Ca -0.09 -0.01 -0.23 0.00 -2.14 0.00 0.00 52.86 50.39 2b95 s ASN 86 Cb -0.01 0.02 -0.08 0.00 1.28 0.00 0.00 41.25 42.46 2b95 s ASN 86 CO 0.31 -0.04 0.76 -1.83 -2.04 0.00 0.00 177.10 174.26 2b95 s GLU 87 N -2.06 4.42 -0.32 3.55 4.04 -0.04 -3.66 118.70 124.64 2b95 s GLU 87 Ca 0.13 1.03 0.00 0.00 0.04 0.00 0.00 54.97 56.17 2b95 s GLU 87 Cb 0.02 -3.06 0.10 0.00 0.02 0.00 0.00 34.13 31.21 2b95 s GLU 87 CO -0.04 0.48 0.09 0.42 -1.84 0.00 0.00 175.26 174.37 2b95 s ILE 88 N -1.34 1.11 0.11 1.83 1.09 -1.26 -1.59 121.20 121.14 2b95 s ILE 88 Ca 0.40 -1.57 -0.30 0.00 -1.10 0.00 0.00 60.65 58.07 2b95 s ILE 88 Cb -0.20 -1.84 -0.07 0.00 -1.06 0.00 0.00 42.46 39.30 2b95 s ILE 88 CO 0.23 -0.67 1.23 -0.04 -0.10 0.00 0.00 174.94 175.59 2b95 s MET 89 N 1.48 4.43 -0.24 2.79 -1.94 0.44 -4.03 119.30 122.24 2b95 s MET 89 Ca 0.10 1.84 -0.03 0.00 -1.71 0.00 0.00 55.69 55.90 2b95 s MET 89 Cb -0.18 -3.30 0.11 0.00 2.01 0.00 0.00 34.83 33.48 2b95 s MET 89 CO -0.22 -0.23 0.28 0.08 -0.01 0.00 0.00 175.02 174.91 2b95 s VAL 90 N 0.74 -0.41 0.11 -6.03 1.01 -0.87 -1.65 120.40 113.30 2b95 s VAL 90 Ca 0.58 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.40 2b95 s VAL 90 Cb -0.31 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2b95 s VAL 90 CO 0.31 -0.26 -0.14 0.00 0.00 0.00 0.00 175.10 175.02 2b95 s ALA 91 N 2.38 1.38 0.18 5.51 0.00 -1.23 -1.08 121.76 128.90 2b95 s ALA 91 Ca 0.09 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 2b95 s ALA 91 Cb -0.15 -0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.81 2b95 s ALA 91 CO -0.19 0.11 1.31 -1.25 0.00 0.00 0.00 175.76 175.75 2b95 s PRO 92 N -2.41 4.38 0.00 0.00 0.04 -1.26 -3.44 135.00 132.31 2b95 s PRO 92 Ca 0.06 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2b95 s PRO 92 Cb -0.06 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2b95 s PRO 92 CO 0.03 -0.27 0.00 -3.47 0.04 0.00 0.00 177.00 173.32 2b95 n ASP 93 N 2.83 1.44 -0.08 6.66 -0.08 -0.30 -4.98 116.55 122.04 2b95 n ASP 93 Ca 0.07 -0.90 -0.07 0.00 -1.51 0.00 0.00 54.79 52.38 2b95 n ASP 93 Cb 0.43 0.00 -0.00 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 1.79 -2.02 -3.37 116.57 112.13 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 -0.16 -0.40 -1.08 0.00 0.00 179.45 177.70 2b95 n ASP 95 N -5.37 0.00 -3.66 0.86 5.68 -1.26 -5.13 116.55 107.67 2b95 n ASP 95 Ca 0.01 -1.32 -0.14 0.00 -0.50 0.00 0.00 54.79 52.84 2b95 n ASP 95 Cb 0.28 -0.06 -0.07 0.00 -1.14 0.00 0.00 41.12 40.13 2b95 n ASP 95 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 2b95 s TYR 96 N 0.00 1.17 -0.22 2.11 1.13 -1.26 -2.16 117.35 118.12 2b95 s TYR 96 Ca 0.00 -1.33 0.01 0.00 -1.41 0.00 0.00 57.07 54.34 2b95 s TYR 96 Cb 0.00 -0.34 0.05 0.00 -1.10 0.00 0.00 41.96 40.57 2b95 s TYR 96 CO 0.00 -0.91 -0.11 -0.06 -2.51 0.00 0.00 175.55 171.96 2b95 s PHE 97 N -3.61 2.67 0.03 -3.49 0.08 0.86 -1.14 117.98 113.37 2b95 s PHE 97 Ca 0.34 -1.80 -0.30 0.00 0.12 0.00 0.00 56.93 55.29 2b95 s PHE 97 Cb 0.02 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 2b95 s PHE 97 CO 0.18 -0.79 1.05 -1.17 -0.10 0.00 0.00 175.22 174.39 2b95 s LEU 98 N 1.31 4.38 -0.25 -0.37 0.20 -1.22 -2.72 118.68 120.01 2b95 s LEU 98 Ca -0.03 1.78 0.02 0.00 0.69 0.00 0.00 54.13 56.59 2b95 s LEU 98 Cb -0.17 -3.57 0.06 0.00 -0.43 0.00 0.00 46.19 42.07 2b95 s LEU 98 CO -0.08 -0.32 -0.09 -0.63 -0.29 0.00 0.00 176.35 174.95 2b95 s ILE 99 N 0.97 1.87 -0.26 6.68 -1.09 0.38 -3.57 121.20 126.18 2b95 s ILE 99 Ca 0.54 -1.43 -0.01 0.00 -2.23 0.00 0.00 60.65 57.52 2b95 s ILE 99 Cb -0.24 -2.05 0.04 0.00 -1.58 0.00 0.00 42.46 38.63 2b95 s ILE 99 CO 0.29 -0.05 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.19 2b95 s VAL 100 N 1.24 2.71 -0.11 2.92 1.01 -0.66 -0.11 120.40 127.40 2b95 s VAL 100 Ca -0.07 -1.25 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 2b95 s VAL 100 Cb -0.19 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2b95 s VAL 100 CO -0.06 0.08 0.01 -0.63 0.00 0.00 0.00 175.10 174.50 2b95 s ILE 101 N 1.25 4.33 0.12 2.22 1.09 -0.57 -0.42 121.20 129.22 2b95 s ILE 101 Ca -0.03 -0.23 -0.25 0.00 -1.10 0.00 0.00 60.65 59.04 2b95 s ILE 101 Cb -0.18 -2.85 0.08 0.00 -1.06 0.00 0.00 42.46 38.45 2b95 s ILE 101 CO -0.04 0.57 1.05 0.00 -0.10 0.00 0.00 174.94 176.43 2b95 s GLN 102 N -0.57 1.05 0.97 2.79 -2.07 -0.62 -0.72 119.66 120.49 2b95 s GLN 102 Ca 0.10 -0.61 -0.13 0.00 -1.82 0.00 0.00 55.36 52.89 2b95 s GLN 102 Cb -0.12 0.34 0.04 0.00 -1.09 0.00 0.00 33.01 32.17 2b95 s GLN 102 CO 0.02 -0.48 0.33 0.09 -1.32 0.00 0.00 175.29 173.92 2b95 n ASN 103 N -0.69 -2.26 -4.77 12.60 3.02 -1.17 -0.86 115.26 121.13 2b95 n ASN 103 Ca -0.05 0.28 -0.35 0.00 -0.03 0.00 0.00 54.58 54.43 2b95 n ASN 103 Cb 0.61 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 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 -3.56 3.38 -0.10 3.52 0.04 -1.26 -4.29 135.00 132.73 2b95 s PRO 104 Ca 0.56 1.62 0.04 0.00 0.04 0.00 0.00 61.00 63.26 2b95 s PRO 104 Cb -0.20 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 2b95 s PRO 104 CO 0.68 -0.83 -0.03 0.25 0.04 0.00 0.00 177.00 177.11 2b95 n THR 105 N -1.25 0.61 0.00 1.26 -2.24 -1.26 -5.02 114.28 106.38 2b95 n THR 105 Ca 0.11 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2b95 n THR 105 Cb 0.51 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 2b95 n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71