#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 1.57 -0.23 -5.12 0.00 -2.05 -1.30 119.26 112.13 2b95 h ALA 12 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2b95 h ALA 12 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2b95 h ALA 12 CO 0.00 -0.03 -0.17 1.49 0.00 0.00 0.00 179.25 180.54 2b95 h GLU 13 N 0.76 -0.16 -0.55 0.00 4.81 -2.06 0.23 114.58 117.61 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 0.80 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 2b95 h GLU 13 CO -0.37 -0.11 0.08 0.28 -0.73 0.00 0.00 179.01 178.16 2b95 h VAL 14 N -0.17 1.24 -0.60 0.32 2.07 -1.72 -2.61 116.25 114.78 2b95 h VAL 14 Ca 0.13 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 2b95 h VAL 14 Cb 0.37 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2b95 h VAL 14 CO -0.33 0.34 0.11 -0.33 0.02 0.00 0.00 177.57 177.39 2b95 h GLU 15 N 0.83 0.97 -0.25 1.57 5.08 -0.31 0.19 114.58 122.66 2b95 h GLU 15 Ca 0.17 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2b95 h GLU 15 Cb 0.39 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2b95 h GLU 15 CO 0.01 0.88 -0.17 1.49 -1.00 0.00 0.00 179.01 180.22 2b95 h GLU 16 N 0.91 0.43 0.00 2.33 4.81 -0.28 -0.96 114.58 121.82 2b95 h GLU 16 Ca 0.19 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 2b95 h GLU 16 Cb 0.38 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2b95 h GLU 16 CO 0.01 0.59 -0.84 1.15 -0.73 0.00 0.00 179.01 179.19 2b95 h THR 17 N 0.39 1.16 -0.03 0.32 2.02 -1.10 -3.20 112.91 112.47 2b95 h THR 17 Ca 0.07 -2.70 -0.13 0.00 0.77 0.00 0.00 66.41 64.42 2b95 h THR 17 Cb 0.53 2.56 0.01 0.00 -1.74 0.00 0.00 68.15 69.51 2b95 h THR 17 CO 0.03 0.66 -0.49 -0.07 0.37 0.00 0.00 175.52 176.03 2b95 h LEU 18 N 0.00 0.47 -0.76 2.58 4.07 -0.64 -2.17 115.31 118.87 2b95 h LEU 18 Ca -0.04 -0.73 0.04 0.00 0.08 0.00 0.00 57.88 57.24 2b95 h LEU 18 Cb 1.59 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 43.13 2b95 h LEU 18 CO 0.09 1.14 0.47 0.50 -1.08 0.00 0.00 178.44 179.55 2b95 h LYS 19 N -0.14 0.86 -0.21 1.13 1.63 -1.29 0.20 116.57 118.75 2b95 h LYS 19 Ca -0.05 -0.05 -0.15 0.00 -0.85 0.00 0.00 60.65 59.54 2b95 h LYS 19 Cb 1.19 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.61 2b95 h LYS 19 CO 0.10 0.57 -0.50 -0.09 -3.45 0.00 0.00 179.45 176.08 2b95 h ARG 20 N 0.89 0.57 0.26 1.90 9.65 -1.61 -2.25 114.38 123.79 2b95 h ARG 20 Ca 0.32 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 2b95 h ARG 20 Cb 0.08 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2b95 h ARG 20 CO -0.14 0.93 -0.13 -0.07 2.80 0.00 0.00 179.97 183.37 2b95 h LEU 21 N 0.45 -0.30 -1.69 3.80 4.07 -0.69 -2.43 115.31 118.51 2b95 h LEU 21 Ca 0.02 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.76 2b95 h LEU 21 Cb 1.03 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.84 2b95 h LEU 21 CO 0.09 0.11 0.00 -0.61 -1.08 0.00 0.00 178.44 176.95 2b95 h GLN 22 N -0.75 0.00 0.00 1.13 5.75 -0.69 -0.88 115.11 119.66 2b95 h GLN 22 Ca -0.04 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.33 2b95 h GLN 22 Cb 0.50 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 2b95 h GLN 22 CO 0.06 0.00 -0.91 0.77 -2.65 0.00 0.00 178.83 176.09 2b95 h SER 23 N 0.00 0.00 -2.92 -0.69 0.02 -1.21 -3.46 113.55 105.29 2b95 h SER 23 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 2b95 h SER 23 Cb 0.12 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2b95 h SER 23 CO 0.00 0.55 -0.34 0.00 -1.14 0.00 0.00 176.83 175.91 2b95 s GLN 24 N -2.94 3.54 0.17 3.45 -2.07 -0.34 -5.08 119.66 116.40 2b95 s GLN 24 Ca 0.01 -0.29 -0.30 0.00 -1.82 0.00 0.00 55.36 52.96 2b95 s GLN 24 Cb 0.08 -2.85 -0.07 0.00 -1.09 0.00 0.00 33.01 29.08 2b95 s GLN 24 CO 0.78 0.43 0.97 0.21 -1.32 0.00 0.00 175.29 176.36 2b95 s LYS 25 N -3.12 4.75 0.00 9.60 2.36 -1.26 -3.99 119.74 128.07 2b95 s LYS 25 Ca 0.39 1.51 0.00 0.00 -2.55 0.00 0.00 55.97 55.32 2b95 s LYS 25 Cb -0.11 -3.32 0.00 0.00 -1.05 0.00 0.00 37.83 33.34 2b95 s LYS 25 CO 0.28 0.32 0.00 0.41 1.55 0.00 0.00 175.35 177.91 2b95 n GLY 26 N 1.89 3.35 3.67 5.54 0.00 -1.26 -5.00 105.19 113.39 2b95 n GLY 26 Ca 0.01 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 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 2.85 -0.02 1.61 1.01 -1.26 -2.26 120.40 122.33 2b95 s VAL 27 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.14 2b95 s VAL 27 Cb 0.00 -3.05 -0.23 0.00 0.00 0.00 0.00 36.38 33.10 2b95 s VAL 27 CO 0.00 -0.00 0.77 1.56 0.00 0.00 0.00 175.10 177.43 2b95 h GLN 28 N 9.70 0.04 0.00 2.72 4.20 -1.03 -3.48 115.11 127.27 2b95 h GLN 28 Ca -0.48 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.16 2b95 h GLN 28 Cb 1.23 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2b95 h GLN 28 CO 0.94 0.69 0.00 0.41 -0.67 0.00 0.00 178.83 180.20 2b95 n GLY 29 N 1.56 3.26 3.22 3.46 0.00 -1.17 -4.84 105.19 110.68 2b95 n GLY 29 Ca -0.15 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 0.01 -0.61 1.01 -1.26 -2.63 121.20 118.78 2b95 s ILE 30 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2b95 s ILE 30 Cb 0.00 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 2b95 s ILE 30 CO 0.00 0.52 -0.06 -0.63 0.00 0.00 0.00 174.94 174.77 2b95 s ILE 31 N 0.92 3.66 -0.26 2.92 1.01 -0.94 -2.37 121.20 126.13 2b95 s ILE 31 Ca -0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 2b95 s ILE 31 Cb -0.15 -2.61 0.08 0.00 0.01 0.00 0.00 42.46 39.79 2b95 s ILE 31 CO -0.03 0.36 0.04 -0.69 0.00 0.00 0.00 174.94 174.63 2b95 s VAL 32 N -1.03 0.98 0.19 2.92 1.01 0.84 -1.82 120.40 123.50 2b95 s VAL 32 Ca 0.18 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 61.06 2b95 s VAL 32 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2b95 s VAL 32 CO 0.09 -0.41 0.12 -0.69 0.00 0.00 0.00 175.10 174.21 2b95 s VAL 33 N 1.61 4.28 0.00 2.92 1.01 -1.19 -0.34 120.40 128.68 2b95 s VAL 33 Ca 0.03 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.75 2b95 s VAL 33 Cb -0.18 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2b95 s VAL 33 CO -0.15 -0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.36 2b95 n ASN 34 N -0.52 0.28 0.19 3.32 3.02 -1.10 -0.02 115.26 120.43 2b95 n ASN 34 Ca -0.08 -0.98 0.07 0.00 -0.03 0.00 0.00 54.58 53.56 2b95 n ASN 34 Cb 0.56 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.95 2b95 n ASN 34 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2b95 h THR 35 N 0.14 0.59 0.16 3.41 1.35 -1.90 -3.22 112.91 113.44 2b95 h THR 35 Ca 0.00 -1.58 -0.29 0.00 -0.55 0.00 0.00 66.41 63.99 2b95 h THR 35 Cb 0.00 2.09 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 2b95 h THR 35 CO 0.00 0.30 -1.30 -0.33 -0.25 0.00 0.00 175.52 173.94 2b95 h GLU 36 N 0.00 0.33 0.00 4.72 5.08 -1.95 -3.48 114.58 119.29 2b95 h GLU 36 Ca -0.00 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 2b95 h GLU 36 Cb 1.07 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2b95 h GLU 36 CO 0.04 1.27 0.00 0.41 -1.00 0.00 0.00 179.01 179.73 2b95 n GLY 37 N 1.58 1.88 3.42 -3.84 0.00 -1.21 -5.11 105.19 101.90 2b95 n GLY 37 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.94 4.54 -1.09 -0.61 1.01 -1.26 -4.86 121.20 116.99 2b95 s ILE 38 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 59.90 2b95 s ILE 38 Cb 0.00 -3.36 -0.07 0.00 0.01 0.00 0.00 42.46 39.04 2b95 s ILE 38 CO 0.00 0.01 1.94 -2.16 0.00 0.00 0.00 174.94 174.73 2b95 s PRO 39 N 1.59 2.51 0.39 2.79 0.04 -1.26 -2.72 135.00 138.34 2b95 s PRO 39 Ca 0.04 -0.88 0.16 0.00 0.04 0.00 0.00 61.00 60.35 2b95 s PRO 39 Cb -0.17 -5.18 1.03 0.00 0.04 0.00 0.00 34.50 30.21 2b95 s PRO 39 CO 0.06 -3.79 1.80 -0.84 0.04 0.00 0.00 177.00 174.26 2b95 h ILE 40 N 6.53 0.60 -4.15 0.56 3.07 -1.03 -3.40 117.51 119.68 2b95 h ILE 40 Ca 0.18 -0.16 -0.47 0.00 1.55 0.00 0.00 64.86 65.96 2b95 h ILE 40 Cb 0.96 0.09 -0.28 0.00 -0.27 0.00 0.00 36.82 37.32 2b95 h ILE 40 CO 1.22 0.09 -0.81 -0.75 -1.05 0.00 0.00 178.15 176.85 2b95 s LYS 41 N -5.54 1.06 -0.29 0.16 2.36 -1.00 -4.99 119.74 111.50 2b95 s LYS 41 Ca -0.09 -0.55 0.02 0.00 -2.55 0.00 0.00 55.97 52.80 2b95 s LYS 41 Cb 0.24 -1.04 0.19 0.00 -1.05 0.00 0.00 37.83 36.18 2b95 s LYS 41 CO 0.79 0.28 0.58 -1.54 1.55 0.00 0.00 175.35 177.02 2b95 s SER 42 N -0.51 -1.42 0.00 1.43 1.04 -1.26 -0.11 113.70 112.87 2b95 s SER 42 Ca 0.04 0.51 0.28 0.00 0.48 0.00 0.00 55.95 57.26 2b95 s SER 42 Cb -0.06 2.06 1.15 0.00 0.10 0.00 0.00 66.02 69.27 2b95 s SER 42 CO -0.00 -0.28 1.81 0.35 0.98 0.00 0.00 173.24 176.09 2b95 n THR 43 N 5.42 0.00 -2.51 2.02 -2.24 -1.00 -4.87 114.28 111.10 2b95 n THR 43 Ca 0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2b95 n THR 43 Cb 0.52 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.67 1.10 -1.88 -0.78 1.56 -1.26 -4.84 117.12 110.35 2b95 n MET 44 Ca 0.16 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.25 2b95 n MET 44 Cb 0.29 0.00 0.04 0.00 2.15 0.00 0.00 33.22 35.70 2b95 n MET 44 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2b95 s ASP 45 N -1.00 5.23 0.09 6.12 2.15 -1.26 -4.82 116.67 123.18 2b95 s ASP 45 Ca 0.00 2.06 -0.32 0.00 0.43 0.00 0.00 52.55 54.72 2b95 s ASP 45 Cb 0.00 -2.56 -0.15 0.00 -0.30 0.00 0.00 42.92 39.91 2b95 s ASP 45 CO 0.00 -1.55 1.61 -1.13 -0.17 0.00 0.00 175.17 173.94 2b95 h ASN 46 N 0.33 -0.92 0.74 -0.34 -0.00 -1.98 0.25 115.58 113.66 2b95 h ASN 46 Ca -0.48 0.07 -0.05 0.00 -0.00 0.00 0.00 56.30 55.84 2b95 h ASN 46 Cb 1.25 0.29 -0.01 0.00 -0.00 0.00 0.00 38.32 39.86 2b95 h ASN 46 CO 0.55 -0.53 -0.23 1.55 -0.00 0.00 0.00 177.43 178.77 2b95 h PRO 47 N -0.81 0.00 0.05 6.67 0.13 -1.99 -1.42 132.00 134.63 2b95 h PRO 47 Ca -0.05 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.83 2b95 h PRO 47 Cb 0.69 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.83 2b95 h PRO 47 CO 0.01 0.23 -1.07 1.15 -0.23 0.00 0.00 178.00 178.09 2b95 h THR 48 N 0.00 1.40 0.21 1.56 2.02 -1.85 -3.17 112.91 113.08 2b95 h THR 48 Ca -0.00 -2.59 -0.33 0.00 0.77 0.00 0.00 66.41 64.26 2b95 h THR 48 Cb 0.66 2.59 0.04 0.00 -1.74 0.00 0.00 68.15 69.70 2b95 h THR 48 CO 0.03 0.77 -1.41 0.74 0.37 0.00 0.00 175.52 176.02 2b95 h THR 49 N 0.21 1.28 -0.97 3.16 2.02 -0.39 -2.97 112.91 115.25 2b95 h THR 49 Ca -0.11 -2.62 0.12 0.00 0.77 0.00 0.00 66.41 64.56 2b95 h THR 49 Cb 1.73 2.93 -0.08 0.00 -1.74 0.00 0.00 68.15 71.00 2b95 h THR 49 CO 0.19 0.79 0.62 0.74 0.37 0.00 0.00 175.52 178.23 2b95 h THR 50 N 0.19 0.93 0.09 3.16 2.02 -1.36 0.21 112.91 118.15 2b95 h THR 50 Ca -0.24 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 2b95 h THR 50 Cb 2.09 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2b95 h THR 50 CO 0.27 0.17 -0.05 -0.61 0.37 0.00 0.00 175.52 175.68 2b95 h GLN 51 N 0.95 -0.12 -0.12 6.66 -0.00 -1.63 -2.85 115.11 118.00 2b95 h GLN 51 Ca 0.48 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 59.17 2b95 h GLN 51 Cb 0.49 0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.95 2b95 h GLN 51 CO -0.24 0.40 -0.14 1.88 0.00 0.00 0.00 178.83 180.73 2b95 h TYR 52 N -0.77 -0.34 0.00 3.99 -1.99 -1.30 0.57 116.97 117.12 2b95 h TYR 52 Ca -0.01 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2b95 h TYR 52 Cb 0.58 0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.48 2b95 h TYR 52 CO 0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 178.16 178.07 2b95 h ALA 53 N 0.89 1.00 0.01 3.88 0.00 -0.70 0.26 119.26 124.61 2b95 h ALA 53 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2b95 h ALA 53 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2b95 h ALA 53 CO -0.22 0.00 -0.01 1.03 0.00 0.00 0.00 179.25 180.05 2b95 h SER 54 N 0.00 -0.01 0.60 0.00 0.87 -0.65 -3.29 113.55 111.07 2b95 h SER 54 Ca 0.00 -0.76 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 2b95 h SER 54 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2b95 h SER 54 CO 0.00 0.78 -0.17 0.00 -0.53 0.00 0.00 176.83 176.91 2b95 n LEU 55 N -4.71 0.32 0.18 2.23 -0.00 -0.91 -3.99 117.00 110.12 2b95 n LEU 55 Ca -0.09 0.17 -0.07 0.00 -0.00 0.00 0.00 56.01 56.02 2b95 n LEU 55 Cb 0.38 -0.30 -0.03 0.00 -0.00 0.00 0.00 43.42 43.46 2b95 n LEU 55 CO 0.32 0.07 0.41 -0.03 -0.00 0.00 0.00 177.39 178.16 2b95 h MET 56 N 0.23 -0.45 -0.50 1.47 4.05 -0.56 0.24 114.93 119.42 2b95 h MET 56 Ca 0.00 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.58 2b95 h MET 56 Cb 0.44 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 2b95 h MET 56 CO 0.00 -0.30 0.35 1.25 0.23 0.00 0.00 176.91 178.45 2b95 h HIS 57 N -0.55 0.12 0.00 1.39 -0.00 -1.72 0.25 115.15 114.63 2b95 h HIS 57 Ca -0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.28 2b95 h HIS 57 Cb 0.36 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 2b95 h HIS 57 CO 0.10 0.05 -0.23 1.03 -0.00 0.00 0.00 177.93 178.88 2b95 h SER 58 N 0.11 0.00 0.62 3.26 0.87 -1.67 -2.94 113.55 113.79 2b95 h SER 58 Ca 0.24 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2b95 h SER 58 Cb 0.81 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.78 2b95 h SER 58 CO -0.03 0.23 -0.30 0.15 -0.53 0.00 0.00 176.83 176.36 2b95 h PHE 59 N 0.00 -0.77 0.00 2.24 3.57 0.17 -2.37 116.94 119.78 2b95 h PHE 59 Ca -0.00 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2b95 h PHE 59 Cb 0.96 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2b95 h PHE 59 CO 0.00 -0.44 -0.29 0.82 -2.23 0.00 0.00 178.31 176.17 2b95 h ILE 60 N -0.99 1.20 -0.66 1.41 5.03 -1.63 -2.36 117.51 119.51 2b95 h ILE 60 Ca -0.09 -1.01 -0.02 0.00 -0.12 0.00 0.00 64.86 63.63 2b95 h ILE 60 Cb 0.68 1.54 -0.03 0.00 -3.03 0.00 0.00 36.82 35.98 2b95 h ILE 60 CO 0.14 0.29 0.33 0.25 -0.68 0.00 0.00 178.15 178.48 2b95 h LEU 61 N 0.00 0.83 0.04 1.44 5.85 -1.39 0.24 115.31 122.33 2b95 h LEU 61 Ca -0.00 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2b95 h LEU 61 Cb 0.52 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2b95 h LEU 61 CO 0.04 0.69 -0.02 0.50 -0.34 0.00 0.00 178.44 179.31 2b95 h LYS 62 N 0.93 -0.06 0.00 1.25 1.63 -1.05 -3.24 116.57 116.03 2b95 h LYS 62 Ca 0.23 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2b95 h LYS 62 Cb 0.07 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2b95 h LYS 62 CO -0.03 0.56 -0.01 0.00 -3.45 0.00 0.00 179.45 176.51 2b95 h ALA 63 N -0.22 1.63 0.60 5.00 0.00 -1.39 -2.80 119.26 122.08 2b95 h ALA 63 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2b95 h ALA 63 Cb 0.64 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2b95 h ALA 63 CO 0.01 0.01 -0.29 -0.09 0.00 0.00 0.00 179.25 178.89 2b95 h ARG 64 N 0.00 -0.78 -0.80 0.00 2.43 -0.58 -0.58 114.38 114.07 2b95 h ARG 64 Ca -0.00 0.05 0.23 0.00 -0.81 0.00 0.00 59.98 59.45 2b95 h ARG 64 Cb 0.02 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2b95 h ARG 64 CO 0.00 -0.48 0.57 1.03 -1.51 0.00 0.00 179.97 179.58 2b95 h SER 65 N -0.92 0.01 0.05 -3.80 0.87 -1.52 0.24 113.55 108.47 2b95 h SER 65 Ca -0.08 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.25 2b95 h SER 65 Cb 0.66 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2b95 h SER 65 CO 0.14 0.01 -0.90 0.74 -0.53 0.00 0.00 176.83 176.28 2b95 h THR 66 N 0.01 1.36 -0.64 2.23 2.02 -1.43 -3.31 112.91 113.16 2b95 h THR 66 Ca 0.38 -2.27 0.12 0.00 0.77 0.00 0.00 66.41 65.41 2b95 h THR 66 Cb 1.51 2.63 -0.09 0.00 -1.74 0.00 0.00 68.15 70.46 2b95 h THR 66 CO -0.01 0.68 0.17 0.58 0.37 0.00 0.00 175.52 177.31 2b95 h VAL 67 N 0.10 0.64 -0.78 3.16 2.07 0.67 0.16 116.25 122.27 2b95 h VAL 67 Ca -0.13 -0.10 0.22 0.00 0.82 0.00 0.00 66.70 67.51 2b95 h VAL 67 Cb 1.60 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2b95 h VAL 67 CO 0.18 0.06 0.56 0.03 0.02 0.00 0.00 177.57 178.41 2b95 h ARG 68 N 0.30 0.03 -0.09 1.57 -0.00 -1.57 0.24 114.38 114.86 2b95 h ARG 68 Ca 0.34 -0.00 -0.19 0.00 -0.50 0.00 0.00 59.98 59.63 2b95 h ARG 68 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.47 2b95 h ARG 68 CO -0.41 0.02 -0.74 0.22 0.00 0.00 0.00 179.97 179.07 2b95 h ASP 69 N 0.03 0.54 -0.42 7.04 1.82 -0.80 -3.25 116.42 121.38 2b95 h ASP 69 Ca 0.37 -0.35 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2b95 h ASP 69 Cb 1.45 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 41.28 2b95 h ASP 69 CO -0.02 1.10 0.25 0.40 -1.61 0.00 0.00 179.24 179.36 2b95 h ILE 70 N 0.31 1.14 -3.69 2.25 2.04 -0.28 -3.45 117.51 115.82 2b95 h ILE 70 Ca -0.03 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 2b95 h ILE 70 Cb 1.32 0.60 -0.14 0.00 -0.74 0.00 0.00 36.82 37.86 2b95 h ILE 70 CO 0.13 0.14 -0.28 -1.81 0.00 0.00 0.00 178.15 176.33 2b95 s ASP 71 N -5.66 0.01 0.00 1.72 1.01 -1.04 -5.08 116.67 107.63 2b95 s ASP 71 Ca -0.13 -0.57 -0.24 0.00 0.71 0.00 0.00 52.55 52.33 2b95 s ASP 71 Cb 0.11 0.39 -0.18 0.00 1.01 0.00 0.00 42.92 44.24 2b95 s ASP 71 CO 0.73 -0.78 1.30 1.55 0.21 0.00 0.00 175.17 178.19 2b95 h PRO 72 N 2.62 0.14 -4.79 8.23 0.13 -1.89 -3.40 132.00 133.05 2b95 h PRO 72 Ca -0.34 -0.08 -0.67 0.00 -0.87 0.00 0.00 66.00 64.04 2b95 h PRO 72 Cb 1.22 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.99 2b95 h PRO 72 CO 0.53 0.59 -0.74 -0.65 -0.23 0.00 0.00 178.00 177.49 2b95 s GLN 73 N -4.29 2.14 0.28 0.86 -0.21 -1.26 -5.01 119.66 112.17 2b95 s GLN 73 Ca -0.15 -1.45 -0.07 0.00 0.02 0.00 0.00 55.36 53.70 2b95 s GLN 73 Cb 0.03 -3.07 -0.01 0.00 1.00 0.00 0.00 33.01 30.97 2b95 s GLN 73 CO 0.71 -0.68 0.43 0.54 -2.12 0.00 0.00 175.29 174.17 2b95 s ASN 74 N 1.15 0.31 -0.26 5.90 2.20 -1.26 -5.17 114.94 117.81 2b95 s ASN 74 Ca -0.03 -1.21 -0.11 0.00 -0.94 0.00 0.00 52.86 50.57 2b95 s ASN 74 Cb -0.20 0.59 0.10 0.00 -2.00 0.00 0.00 41.25 39.74 2b95 s ASN 74 CO -0.04 -1.17 0.59 -1.81 -2.94 0.00 0.00 177.10 171.73 2b95 s ASP 75 N -3.12 -0.84 0.01 3.54 1.01 -1.26 -5.06 116.67 110.96 2b95 s ASP 75 Ca 0.28 1.36 -0.30 0.00 0.71 0.00 0.00 52.55 54.60 2b95 s ASP 75 Cb 0.00 1.65 -0.07 0.00 1.01 0.00 0.00 42.92 45.51 2b95 s ASP 75 CO 0.14 -0.22 1.68 -0.76 0.21 0.00 0.00 175.17 176.21 2b95 s LEU 76 N 2.25 4.35 -0.01 1.23 2.01 -1.26 -4.85 118.68 122.41 2b95 s LEU 76 Ca -0.07 2.39 0.03 0.00 0.01 0.00 0.00 54.13 56.50 2b95 s LEU 76 Cb -0.09 -3.55 -0.05 0.00 0.01 0.00 0.00 46.19 42.51 2b95 s LEU 76 CO -0.17 -0.91 0.06 0.35 1.01 0.00 0.00 176.35 176.68 2b95 n THR 77 N 5.11 0.06 -3.66 5.49 -2.24 -1.26 -4.57 114.28 113.22 2b95 n THR 77 Ca 0.17 -0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 2b95 n THR 77 Cb 0.42 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.19 -0.31 -0.29 4.78 0.08 -1.26 -4.65 117.98 114.14 2b95 s PHE 78 Ca -0.01 0.36 0.05 0.00 0.12 0.00 0.00 56.93 57.44 2b95 s PHE 78 Cb 0.02 0.23 0.19 0.00 -0.57 0.00 0.00 43.02 42.89 2b95 s PHE 78 CO 0.14 -0.55 0.57 -1.17 -0.10 0.00 0.00 175.22 174.10 2b95 s LEU 79 N -1.79 -1.51 0.23 -0.37 2.96 0.02 -4.94 118.68 113.29 2b95 s LEU 79 Ca -0.07 0.18 0.08 0.00 -0.22 0.00 0.00 54.13 54.10 2b95 s LEU 79 Cb -0.01 1.93 -0.04 0.00 0.50 0.00 0.00 46.19 48.56 2b95 s LEU 79 CO 0.00 -0.30 0.04 -0.13 -1.32 0.00 0.00 176.35 174.64 2b95 s ARG 80 N 2.79 2.46 -0.35 1.98 0.52 -1.26 -0.88 118.95 124.21 2b95 s ARG 80 Ca 0.11 -1.25 0.02 0.00 -0.52 0.00 0.00 55.73 54.10 2b95 s ARG 80 Cb -0.11 -2.30 0.15 0.00 0.52 0.00 0.00 34.95 33.21 2b95 s ARG 80 CO -0.26 0.40 0.36 0.96 0.02 0.00 0.00 175.30 176.78 2b95 s ILE 81 N -2.10 -0.33 -0.34 1.52 -4.36 -1.25 -5.01 121.20 109.33 2b95 s ILE 81 Ca 0.30 -0.91 -0.28 0.00 -0.26 0.00 0.00 60.65 59.51 2b95 s ILE 81 Cb -0.08 -0.76 -0.04 0.00 1.25 0.00 0.00 42.46 42.83 2b95 s ILE 81 CO 0.20 -0.57 2.14 -0.60 0.24 0.00 0.00 174.94 176.35 2b95 s ARG 82 N 1.62 2.90 0.01 0.37 3.52 -1.26 -3.75 118.95 122.35 2b95 s ARG 82 Ca 0.15 1.64 -0.00 0.00 -0.13 0.00 0.00 55.73 57.40 2b95 s ARG 82 Cb -0.15 -4.38 0.00 0.00 -1.56 0.00 0.00 34.95 28.86 2b95 s ARG 82 CO -0.09 -2.37 0.01 0.43 -0.81 0.00 0.00 175.30 172.47 2b95 n SER 83 N 12.42 0.01 0.01 -2.12 7.64 -1.18 -4.98 113.62 125.42 2b95 n SER 83 Ca 0.29 -1.01 -0.06 0.00 1.01 0.00 0.00 58.87 59.10 2b95 n SER 83 Cb 0.48 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.02 1.43 1.57 -2.03 -3.39 116.57 114.16 2b95 h LYS 84 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2b95 h LYS 84 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2b95 h LYS 84 CO 0.00 0.55 -1.87 1.63 -0.57 0.00 0.00 179.45 179.19 2b95 n LYS 85 N -3.08 0.61 -3.53 3.15 5.02 -1.26 -5.06 118.16 114.00 2b95 n LYS 85 Ca -0.11 0.40 -0.08 0.00 -2.02 0.00 0.00 58.31 56.50 2b95 n LYS 85 Cb 0.97 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 34.32 2b95 n LYS 85 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2b95 s ASN 86 N -7.06 -0.37 0.26 4.39 4.22 -1.26 -4.64 114.94 110.48 2b95 s ASN 86 Ca -0.32 -0.07 -0.09 0.00 -2.14 0.00 0.00 52.86 50.24 2b95 s ASN 86 Cb 0.09 0.44 -0.07 0.00 1.28 0.00 0.00 41.25 42.99 2b95 s ASN 86 CO 0.58 -0.72 0.58 -1.83 -2.04 0.00 0.00 177.10 173.67 2b95 s GLU 87 N -3.25 3.79 -0.32 3.55 -1.05 -0.88 -3.12 118.70 117.42 2b95 s GLU 87 Ca 0.06 0.27 -0.01 0.00 -0.15 0.00 0.00 54.97 55.14 2b95 s GLU 87 Cb -0.01 -2.61 0.10 0.00 -0.44 0.00 0.00 34.13 31.17 2b95 s GLU 87 CO -0.08 0.27 0.11 0.42 0.95 0.00 0.00 175.26 176.93 2b95 s ILE 88 N -1.91 0.88 0.09 1.83 1.09 -1.25 -2.43 121.20 119.50 2b95 s ILE 88 Ca 0.48 -1.48 -0.30 0.00 -1.10 0.00 0.00 60.65 58.24 2b95 s ILE 88 Cb -0.11 -1.66 -0.06 0.00 -1.06 0.00 0.00 42.46 39.57 2b95 s ILE 88 CO 0.23 -0.70 1.13 -0.04 -0.10 0.00 0.00 174.94 175.46 2b95 s MET 89 N 1.52 4.50 -0.10 2.79 -1.94 0.23 -3.83 119.30 122.47 2b95 s MET 89 Ca 0.11 1.70 -0.08 0.00 -1.71 0.00 0.00 55.69 55.71 2b95 s MET 89 Cb -0.18 -3.34 0.03 0.00 2.01 0.00 0.00 34.83 33.35 2b95 s MET 89 CO -0.23 -0.12 0.26 0.08 -0.01 0.00 0.00 175.02 175.00 2b95 s VAL 90 N 0.63 -0.01 0.05 -6.03 1.01 -0.05 -0.79 120.40 115.21 2b95 s VAL 90 Ca 0.55 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 2b95 s VAL 90 Cb -0.28 -0.37 0.06 0.00 0.00 0.00 0.00 36.38 35.78 2b95 s VAL 90 CO 0.31 0.02 0.54 0.00 0.00 0.00 0.00 175.10 175.97 2b95 s ALA 91 N 0.48 -1.39 -0.17 5.51 0.00 -1.23 -0.80 121.76 124.16 2b95 s ALA 91 Ca -0.03 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 2b95 s ALA 91 Cb -0.04 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 2b95 s ALA 91 CO -0.02 -0.53 1.58 -1.25 0.00 0.00 0.00 175.76 175.53 2b95 s PRO 92 N -2.52 3.96 0.00 0.00 0.04 -1.26 -3.49 135.00 131.72 2b95 s PRO 92 Ca -0.05 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2b95 s PRO 92 Cb -0.01 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2b95 s PRO 92 CO -0.02 -1.10 0.00 -3.47 0.04 0.00 0.00 177.00 172.45 2b95 n ASP 93 N 7.85 0.00 -0.11 6.66 -0.08 0.31 -4.94 116.55 126.24 2b95 n ASP 93 Ca 0.18 -0.75 -0.06 0.00 -1.51 0.00 0.00 54.79 52.64 2b95 n ASP 93 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 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 -0.15 0.00 -0.67 1.57 -2.02 -3.36 116.57 111.93 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 -0.10 -0.17 -3.47 -0.57 0.00 0.00 179.45 175.14 2b95 n ASP 95 N -5.39 0.00 -4.08 0.86 -0.08 -1.26 -5.13 116.55 101.47 2b95 n ASP 95 Ca 0.02 -1.33 -0.11 0.00 -1.51 0.00 0.00 54.79 51.85 2b95 n ASP 95 Cb 0.30 -0.07 -0.08 0.00 2.34 0.00 0.00 41.12 43.61 2b95 n ASP 95 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 2b95 s TYR 96 N 0.00 0.92 -0.35 -0.67 1.13 -1.26 -3.06 117.35 114.07 2b95 s TYR 96 Ca 0.00 -1.17 0.01 0.00 -1.41 0.00 0.00 57.07 54.50 2b95 s TYR 96 Cb 0.00 -0.31 0.09 0.00 -1.10 0.00 0.00 41.96 40.64 2b95 s TYR 96 CO 0.00 -0.78 0.07 -0.06 -2.51 0.00 0.00 175.55 172.27 2b95 s PHE 97 N -4.06 3.59 0.37 -3.49 0.08 0.98 -0.53 117.98 114.91 2b95 s PHE 97 Ca 0.33 -2.59 -0.26 0.00 0.12 0.00 0.00 56.93 54.53 2b95 s PHE 97 Cb 0.04 -2.79 -0.09 0.00 -0.57 0.00 0.00 43.02 39.61 2b95 s PHE 97 CO 0.12 -0.93 1.17 -1.17 -0.10 0.00 0.00 175.22 174.31 2b95 s LEU 98 N 1.05 4.29 -0.20 -0.37 0.20 -1.23 -3.17 118.68 119.24 2b95 s LEU 98 Ca 0.06 2.36 -0.03 0.00 0.69 0.00 0.00 54.13 57.21 2b95 s LEU 98 Cb -0.20 -3.91 0.06 0.00 -0.43 0.00 0.00 46.19 41.71 2b95 s LEU 98 CO -0.06 -0.55 0.06 -0.63 -0.29 0.00 0.00 176.35 174.88 2b95 s ILE 99 N -1.34 0.36 -0.33 6.68 1.09 -0.76 -3.51 121.20 123.40 2b95 s ILE 99 Ca 0.54 -0.52 -0.09 0.00 -1.10 0.00 0.00 60.65 59.48 2b95 s ILE 99 Cb -0.32 -0.95 0.01 0.00 -1.06 0.00 0.00 42.46 40.15 2b95 s ILE 99 CO 0.40 -0.28 0.15 -0.69 -0.10 0.00 0.00 174.94 174.42 2b95 s VAL 100 N 1.93 4.33 -0.15 2.92 1.01 0.03 -2.22 120.40 128.25 2b95 s VAL 100 Ca 0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2b95 s VAL 100 Cb -0.17 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2b95 s VAL 100 CO -0.10 -0.06 -0.09 -0.63 0.00 0.00 0.00 175.10 174.21 2b95 s ILE 101 N 1.54 3.39 0.14 2.22 1.01 -1.08 -0.60 121.20 127.83 2b95 s ILE 101 Ca 0.02 -0.54 -0.25 0.00 0.00 0.00 0.00 60.65 59.89 2b95 s ILE 101 Cb -0.18 -2.46 0.07 0.00 0.01 0.00 0.00 42.46 39.90 2b95 s ILE 101 CO 0.05 0.51 0.97 0.00 0.00 0.00 0.00 174.94 176.47 2b95 s GLN 102 N 0.43 1.16 0.97 2.79 -2.07 -1.02 -0.33 119.66 121.59 2b95 s GLN 102 Ca -0.07 -0.64 -0.13 0.00 -1.82 0.00 0.00 55.36 52.70 2b95 s GLN 102 Cb -0.15 0.40 0.04 0.00 -1.09 0.00 0.00 33.01 32.21 2b95 s GLN 102 CO 0.04 -0.53 0.34 0.09 -1.32 0.00 0.00 175.29 173.91 2b95 n ASN 103 N -0.47 -2.20 -4.77 12.60 3.02 -0.96 -2.06 115.26 120.41 2b95 n ASN 103 Ca -0.06 0.28 -0.35 0.00 -0.03 0.00 0.00 54.58 54.41 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 -3.58 3.43 -0.14 3.52 0.04 -1.26 -4.52 135.00 132.48 2b95 s PRO 104 Ca 0.56 1.64 0.05 0.00 0.04 0.00 0.00 61.00 63.29 2b95 s PRO 104 Cb -0.20 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.15 2b95 s PRO 104 CO 0.68 -0.79 -0.06 0.25 0.04 0.00 0.00 177.00 177.11 2b95 n THR 105 N -1.16 0.87 0.00 1.26 -2.24 -1.26 -5.06 114.28 106.69 2b95 n THR 105 Ca 0.11 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2b95 n THR 105 Cb 0.50 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 2b95 n THR 105 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88