#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwm s ILE 2 N 0.00 1.53 0.09 0.52 1.01 -1.26 -1.05 121.20 122.04 2pwm s ILE 2 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.87 2pwm s ILE 2 Cb 0.00 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 2pwm s ILE 2 CO 0.00 0.43 -0.05 0.54 0.00 0.00 0.00 174.94 175.86 2pwm s VAL 3 N -0.19 0.59 -0.18 2.92 0.11 0.01 -4.89 120.40 118.77 2pwm s VAL 3 Ca 0.01 -1.91 -0.11 0.00 -2.93 0.00 0.00 61.98 57.04 2pwm s VAL 3 Cb -0.10 -1.67 -0.05 0.00 -1.53 0.00 0.00 36.38 33.03 2pwm s VAL 3 CO 0.01 -0.88 0.19 -1.58 -3.33 0.00 0.00 175.10 169.51 2pwm s GLN 4 N -3.86 4.13 0.36 1.54 0.74 -1.26 -0.64 119.66 120.68 2pwm s GLN 4 Ca 0.12 -0.10 -0.01 0.00 0.05 0.00 0.00 55.36 55.41 2pwm s GLN 4 Cb 0.06 -3.39 0.07 0.00 1.10 0.00 0.00 33.01 30.85 2pwm s GLN 4 CO -0.05 0.34 0.50 0.27 -0.55 0.00 0.00 175.29 175.79 2pwm n ASN 5 N 3.34 0.54 0.08 6.67 0.23 0.40 -4.90 115.26 121.63 2pwm n ASN 5 Ca -0.15 -1.49 0.11 0.00 -0.53 0.00 0.00 54.58 52.52 2pwm n ASN 5 Cb 0.52 -0.33 0.44 0.00 -2.08 0.00 0.00 39.78 38.33 2pwm n ASN 5 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2pwm n LEU 6 N 0.00 0.46 0.02 -4.53 4.77 -1.26 -1.30 117.00 115.16 2pwm n LEU 6 Ca 0.08 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.78 2pwm n LEU 6 Cb 0.28 -0.50 0.38 0.00 -2.33 0.00 0.00 43.42 41.24 2pwm n LEU 6 CO 0.19 -0.36 0.65 0.00 -1.33 0.00 0.00 177.39 176.54 2pwm n GLN 7 N -1.98 0.07 -0.30 3.23 3.00 -1.26 -4.95 117.38 115.19 2pwm n GLN 7 Ca 0.04 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2pwm n GLN 7 Cb 0.26 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 28.94 2pwm n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pwm n GLY 8 N 1.46 0.78 3.91 1.08 0.00 -0.42 -5.08 105.19 106.92 2pwm n GLY 8 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2pwm n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pwm s GLN 9 N -0.70 3.61 -0.19 1.61 -1.52 -1.26 -4.78 119.66 116.44 2pwm s GLN 9 Ca 0.00 -0.08 -0.21 0.00 -1.95 0.00 0.00 55.36 53.13 2pwm s GLN 9 Cb 0.00 -2.72 -0.03 0.00 -0.22 0.00 0.00 33.01 30.05 2pwm s GLN 9 CO 0.00 0.29 0.63 -1.64 -0.25 0.00 0.00 175.29 174.33 2pwm s MET 10 N -3.35 4.22 0.22 2.91 -1.94 -1.26 -0.45 119.30 119.64 2pwm s MET 10 Ca 0.42 0.63 0.01 0.00 -1.71 0.00 0.00 55.69 55.04 2pwm s MET 10 Cb -0.11 -3.57 -0.05 0.00 2.01 0.00 0.00 34.83 33.11 2pwm s MET 10 CO 0.29 -0.22 0.07 0.14 -0.01 0.00 0.00 175.02 175.28 2pwm s VAL 11 N 1.86 0.49 0.33 -6.03 -7.23 0.19 -4.95 120.40 105.05 2pwm s VAL 11 Ca 0.29 -1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 58.20 2pwm s VAL 11 Cb -0.16 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 2pwm s VAL 11 CO 0.11 -0.17 1.04 -2.28 -0.31 0.00 0.00 175.10 173.48 2pwm s HIS 12 N -3.80 3.51 -0.09 2.82 2.46 -1.26 -0.81 115.29 118.12 2pwm s HIS 12 Ca 0.33 1.71 0.04 0.00 0.47 0.00 0.00 55.06 57.61 2pwm s HIS 12 Cb 0.07 -3.14 0.00 0.00 -0.13 0.00 0.00 32.58 29.39 2pwm s HIS 12 CO 0.10 -0.37 -0.20 -1.14 -2.47 0.00 0.00 174.74 170.65 2pwm s GLN 13 N -1.93 2.61 0.61 2.88 0.74 -0.21 -4.75 119.66 119.61 2pwm s GLN 13 Ca 0.50 -0.74 -0.14 0.00 0.05 0.00 0.00 55.36 55.04 2pwm s GLN 13 Cb -0.25 -2.01 -0.03 0.00 1.10 0.00 0.00 33.01 31.81 2pwm s GLN 13 CO 0.32 0.14 1.04 0.00 -0.55 0.00 0.00 175.29 176.24 2pwm s ALA 14 N 0.42 2.84 0.12 1.58 0.00 -1.26 -0.90 121.76 124.55 2pwm s ALA 14 Ca -0.17 0.18 -0.34 0.00 0.00 0.00 0.00 51.96 51.64 2pwm s ALA 14 Cb -0.17 -3.17 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 2pwm s ALA 14 CO 0.07 -0.81 1.65 -0.89 0.00 0.00 0.00 175.76 175.79 2pwm n ILE 15 N -2.39 0.12 -1.89 0.00 5.41 -1.26 -4.68 119.36 114.66 2pwm n ILE 15 Ca 0.08 -0.02 -0.32 0.00 1.00 0.00 0.00 62.75 63.48 2pwm n ILE 15 Cb 0.53 -1.66 0.02 0.00 -0.71 0.00 0.00 39.64 37.83 2pwm n ILE 15 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2pwm s SER 16 N 1.57 5.69 0.19 4.38 1.04 -1.26 -4.83 113.70 120.48 2pwm s SER 16 Ca 0.81 1.73 -0.14 0.00 0.48 0.00 0.00 55.95 58.83 2pwm s SER 16 Cb -0.66 -2.52 0.19 0.00 0.10 0.00 0.00 66.02 63.14 2pwm s SER 16 CO 0.40 -1.23 1.66 -0.65 0.98 0.00 0.00 173.24 174.39 2pwm h PRO 17 N 0.05 0.05 -0.64 4.02 0.11 -1.99 -0.86 132.00 132.73 2pwm h PRO 17 Ca -0.46 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.68 2pwm h PRO 17 Cb 1.21 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2pwm h PRO 17 CO 0.57 0.03 0.39 0.00 -0.21 0.00 0.00 178.00 178.78 2pwm h ARG 18 N 0.05 0.74 -0.01 1.05 3.08 -1.99 0.72 114.38 118.01 2pwm h ARG 18 Ca 0.26 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 2pwm h ARG 18 Cb 0.40 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2pwm h ARG 18 CO -0.50 0.49 0.00 1.15 -1.07 0.00 0.00 179.97 180.05 2pwm h THR 19 N 0.76 1.13 -0.45 2.04 2.02 -1.80 -1.61 112.91 115.00 2pwm h THR 19 Ca 0.26 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2pwm h THR 19 Cb 0.05 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2pwm h THR 19 CO -0.12 0.10 -0.02 0.25 0.37 0.00 0.00 175.52 176.10 2pwm h LEU 20 N -0.14 0.79 -0.53 2.58 5.85 -1.00 -0.30 115.31 122.57 2pwm h LEU 20 Ca 0.00 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.50 2pwm h LEU 20 Cb 0.16 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 2pwm h LEU 20 CO -0.00 0.92 0.08 0.78 -0.34 0.00 0.00 178.44 179.88 2pwm h ASN 21 N 0.64 -0.05 -0.66 1.25 2.35 -0.89 -1.18 115.58 117.03 2pwm h ASN 21 Ca 0.12 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 2pwm h ASN 21 Cb 0.53 0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 2pwm h ASN 21 CO 0.03 -0.00 0.18 0.00 -1.65 0.00 0.00 177.43 175.98 2pwm h ALA 22 N 1.43 1.03 -0.47 -0.83 0.00 -0.82 -2.34 119.26 117.26 2pwm h ALA 22 Ca 0.27 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2pwm h ALA 22 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2pwm h ALA 22 CO -0.37 0.64 -0.04 2.35 0.00 0.00 0.00 179.25 181.82 2pwm h TRP 23 N 1.02 0.95 -0.59 0.00 2.91 -0.71 0.40 115.95 119.93 2pwm h TRP 23 Ca 0.22 -0.18 0.10 0.00 1.13 0.00 0.00 58.89 60.15 2pwm h TRP 23 Cb 0.33 -0.24 -0.07 0.00 -0.51 0.00 0.00 29.16 28.67 2pwm h TRP 23 CO 0.02 0.91 0.19 0.28 -1.03 0.00 0.00 178.44 178.82 2pwm h VAL 24 N 0.70 0.74 -0.68 2.65 2.07 -1.18 0.58 116.25 121.14 2pwm h VAL 24 Ca 0.13 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2pwm h VAL 24 Cb 0.57 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2pwm h VAL 24 CO 0.03 0.07 0.21 0.11 0.02 0.00 0.00 177.57 178.01 2pwm h LYS 25 N 0.36 1.06 -0.37 1.57 1.57 -0.94 0.21 116.57 120.04 2pwm h LYS 25 Ca 0.30 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2pwm h LYS 25 Cb 0.39 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2pwm h LYS 25 CO -0.33 0.92 0.15 0.28 -0.57 0.00 0.00 179.45 179.90 2pwm h VAL 26 N 0.99 1.19 -0.03 0.50 2.07 -0.54 -2.07 116.25 118.36 2pwm h VAL 26 Ca 0.22 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2pwm h VAL 26 Cb 0.30 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2pwm h VAL 26 CO -0.01 0.21 0.02 0.58 0.02 0.00 0.00 177.57 178.39 2pwm h VAL 27 N 0.45 1.03 -0.88 2.57 2.07 -0.31 0.27 116.25 121.46 2pwm h VAL 27 Ca 0.12 -0.09 0.16 0.00 0.82 0.00 0.00 66.70 67.71 2pwm h VAL 27 Cb 0.18 1.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.89 2pwm h VAL 27 CO -0.01 0.03 0.46 1.05 0.02 0.00 0.00 177.57 179.12 2pwm h GLU 28 N 0.01 0.61 0.00 1.57 4.11 -0.46 -0.89 114.58 119.53 2pwm h GLU 28 Ca 0.01 -0.04 -0.30 0.00 0.07 0.00 0.00 59.36 59.11 2pwm h GLU 28 Cb 0.03 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 2pwm h GLU 28 CO -0.00 0.40 -1.86 -1.91 0.07 0.00 0.00 179.01 175.71 2pwm n GLU 29 N -4.87 0.65 0.00 1.06 2.13 -0.79 -4.72 120.64 114.10 2pwm n GLU 29 Ca 0.18 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.21 2pwm n GLU 29 Cb 0.47 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.46 2pwm n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2pwm n LYS 30 N -2.94 3.08 -2.10 5.31 5.02 0.93 -5.03 118.16 122.43 2pwm n LYS 30 Ca -0.20 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.67 2pwm n LYS 30 Cb 1.05 -0.68 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 2pwm n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pwm s ALA 31 N -1.23 3.64 -0.57 7.82 0.00 -0.36 -0.39 121.76 130.67 2pwm s ALA 31 Ca 0.00 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.14 2pwm s ALA 31 Cb 0.00 -3.59 0.35 0.00 0.00 0.00 0.00 23.12 19.88 2pwm s ALA 31 CO 0.00 -0.78 0.99 1.19 0.00 0.00 0.00 175.76 177.16 2pwm n PHE 32 N 4.51 3.95 -1.09 0.00 3.72 -1.26 -5.01 117.46 122.28 2pwm n PHE 32 Ca 0.13 -3.85 -0.32 0.00 -0.05 0.00 0.00 57.45 53.37 2pwm n PHE 32 Cb 0.42 -0.44 0.12 0.00 -0.94 0.00 0.00 39.48 38.63 2pwm n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2pwm s SER 33 N -3.45 3.84 0.56 4.37 1.04 0.48 -3.83 113.70 116.71 2pwm s SER 33 Ca 0.49 2.08 0.25 0.00 0.48 0.00 0.00 55.95 59.24 2pwm s SER 33 Cb 0.30 -2.55 1.57 0.00 0.10 0.00 0.00 66.02 65.43 2pwm s SER 33 CO -0.15 -2.49 2.16 1.55 0.98 0.00 0.00 173.24 175.30 2pwm h PRO 34 N -1.21 0.00 -0.20 4.02 0.13 -1.89 -1.70 132.00 131.15 2pwm h PRO 34 Ca -0.44 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.75 2pwm h PRO 34 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2pwm h PRO 34 CO 0.47 0.00 0.21 0.93 -0.23 0.00 0.00 178.00 179.38 2pwm h GLU 35 N 0.00 0.00 0.00 0.86 3.07 -1.92 -1.91 114.58 114.68 2pwm h GLU 35 Ca 0.04 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.84 2pwm h GLU 35 Cb 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2pwm h GLU 35 CO -0.00 0.00 -0.28 -0.24 -1.40 0.00 0.00 179.01 177.09 2pwm h VAL 36 N 0.00 1.05 0.36 3.13 3.04 -1.53 -3.34 116.25 118.96 2pwm h VAL 36 Ca 0.09 -1.00 -0.02 0.00 -1.01 0.00 0.00 66.70 64.77 2pwm h VAL 36 Cb 0.51 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2pwm h VAL 36 CO -0.00 0.27 -0.17 0.40 -1.01 0.00 0.00 177.57 177.06 2pwm h ILE 37 N 0.00 0.63 -0.38 3.17 2.04 -1.53 0.10 117.51 121.54 2pwm h ILE 37 Ca -0.00 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.47 2pwm h ILE 37 Cb 0.54 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2pwm h ILE 37 CO 0.04 0.08 0.26 -0.65 0.00 0.00 0.00 178.15 177.88 2pwm h PRO 38 N -0.75 0.22 -0.15 2.37 0.11 -1.76 -0.16 132.00 131.88 2pwm h PRO 38 Ca -0.05 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 2pwm h PRO 38 Cb 0.51 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 2pwm h PRO 38 CO 0.08 0.14 -0.05 0.52 -0.21 0.00 0.00 178.00 178.48 2pwm h MET 39 N 0.22 0.30 -0.59 1.05 2.86 -1.62 -2.12 114.93 115.04 2pwm h MET 39 Ca 0.17 -0.12 0.08 0.00 -2.06 0.00 0.00 59.70 57.77 2pwm h MET 39 Cb 0.39 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 2pwm h MET 39 CO -0.03 0.60 0.25 0.35 1.06 0.00 0.00 176.91 179.14 2pwm h PHE 40 N -0.02 0.45 -0.91 -0.22 3.57 -0.30 0.34 116.94 119.84 2pwm h PHE 40 Ca 0.04 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.60 2pwm h PHE 40 Cb 0.50 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 2pwm h PHE 40 CO 0.06 0.16 0.59 0.77 -2.23 0.00 0.00 178.31 177.66 2pwm h SER 41 N 0.46 0.98 -0.01 0.41 0.02 -0.91 -0.77 113.55 113.74 2pwm h SER 41 Ca 0.28 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.13 2pwm h SER 41 Cb 0.29 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.62 2pwm h SER 41 CO -0.25 0.67 -0.37 0.00 -1.14 0.00 0.00 176.83 175.74 2pwm h ALA 42 N 1.38 0.06 0.00 3.77 0.00 -1.23 -3.24 119.26 120.00 2pwm h ALA 42 Ca 0.37 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2pwm h ALA 42 Cb 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2pwm h ALA 42 CO -0.12 0.19 -0.08 -0.07 0.00 0.00 0.00 179.25 179.17 2pwm h LEU 43 N -0.31 0.00 -1.39 0.00 3.38 -0.68 -1.74 115.31 114.57 2pwm h LEU 43 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2pwm h LEU 43 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2pwm h LEU 43 CO 0.07 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 177.14 2pwm n SER 44 N -3.21 2.06 -4.66 -0.43 3.41 -0.32 -4.94 113.62 105.53 2pwm n SER 44 Ca 0.00 -1.85 -0.49 0.00 -0.26 0.00 0.00 58.87 56.27 2pwm n SER 44 Cb 0.35 -0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 2pwm n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2pwm n GLU 45 N 0.59 1.82 -0.97 4.33 2.13 -0.66 -0.97 120.64 126.91 2pwm n GLU 45 Ca 0.16 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.64 2pwm n GLU 45 Cb 0.37 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.66 2pwm n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pwm n GLY 46 N 3.62 0.44 3.75 8.31 0.00 -1.26 -4.96 105.19 115.10 2pwm n GLY 46 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2pwm n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwm s ALA 47 N -2.03 3.53 0.75 4.61 0.00 -0.14 -4.16 121.76 124.32 2pwm s ALA 47 Ca 0.00 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 2pwm s ALA 47 Cb 0.00 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.68 2pwm s ALA 47 CO 0.00 -0.59 1.09 0.95 0.00 0.00 0.00 175.76 177.21 2pwm s THR 48 N -0.49 3.34 0.33 0.00 -4.23 -1.26 -4.49 115.64 108.83 2pwm s THR 48 Ca 0.53 0.43 0.10 0.00 -1.18 0.00 0.00 61.69 61.58 2pwm s THR 48 Cb -0.39 -3.28 0.32 0.00 1.34 0.00 0.00 72.50 70.49 2pwm s THR 48 CO 0.45 -0.57 1.74 -0.65 -0.54 0.00 0.00 174.62 175.05 2pwm h PRO 49 N -0.88 0.57 -0.47 3.99 0.11 -1.85 0.56 132.00 134.03 2pwm h PRO 49 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pwm h PRO 49 Cb 1.26 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2pwm h PRO 49 CO 0.61 0.38 0.30 0.37 -0.21 0.00 0.00 178.00 179.44 2pwm h GLN 50 N 0.58 0.62 -0.62 1.05 4.15 -1.91 -0.51 115.11 118.48 2pwm h GLN 50 Ca 0.63 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.96 2pwm h GLN 50 Cb 1.22 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 2pwm h GLN 50 CO -0.45 0.43 0.17 -0.44 -1.93 0.00 0.00 178.83 176.61 2pwm h ASP 51 N 0.63 0.88 -0.64 -0.69 3.32 -1.55 -1.07 116.42 117.29 2pwm h ASP 51 Ca 0.17 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.08 2pwm h ASP 51 Cb -0.05 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 2pwm h ASP 51 CO -0.04 0.84 0.41 -0.07 -1.72 0.00 0.00 179.24 178.67 2pwm h LEU 52 N 0.91 0.70 -1.08 1.55 3.38 -0.42 -0.37 115.31 119.98 2pwm h LEU 52 Ca 0.20 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2pwm h LEU 52 Cb 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2pwm h LEU 52 CO -0.00 0.50 -0.27 0.78 0.09 0.00 0.00 178.44 179.54 2pwm h ASN 53 N 0.83 0.32 -0.36 -0.43 2.35 -0.66 0.00 115.58 117.63 2pwm h ASN 53 Ca 0.24 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2pwm h ASN 53 Cb -0.05 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2pwm h ASN 53 CO -0.07 0.59 0.14 0.74 -1.65 0.00 0.00 177.43 177.18 2pwm h THR 54 N 0.29 1.19 -0.19 2.81 2.02 -0.58 -0.66 112.91 117.79 2pwm h THR 54 Ca 0.04 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.64 2pwm h THR 54 Cb 0.63 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2pwm h THR 54 CO 0.05 0.21 0.11 0.24 0.37 0.00 0.00 175.52 176.49 2pwm h MET 55 N 0.43 0.22 -0.69 6.66 2.86 -0.52 -2.64 114.93 121.25 2pwm h MET 55 Ca 0.12 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2pwm h MET 55 Cb 0.19 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 2pwm h MET 55 CO -0.01 0.15 0.41 -0.07 1.06 0.00 0.00 176.91 178.44 2pwm h LEU 56 N 0.23 0.82 -0.22 1.22 3.38 -0.85 -2.86 115.31 117.03 2pwm h LEU 56 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pwm h LEU 56 Cb -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2pwm h LEU 56 CO -0.03 0.64 -0.05 0.59 0.09 0.00 0.00 178.44 179.68 2pwm n ASN 57 N -4.39 0.38 0.17 -0.43 3.02 -0.27 -2.59 115.26 111.15 2pwm n ASN 57 Ca 0.07 -0.75 0.06 0.00 -0.03 0.00 0.00 54.58 53.92 2pwm n ASN 57 Cb 0.07 -0.08 0.07 0.00 -0.61 0.00 0.00 39.78 39.24 2pwm n ASN 57 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2pwm h THR 58 N 0.53 0.56 -2.64 3.41 2.02 -1.23 -3.45 112.91 112.11 2pwm h THR 58 Ca 0.00 -1.79 -0.57 0.00 0.77 0.00 0.00 66.41 64.82 2pwm h THR 58 Cb 0.26 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 2pwm h THR 58 CO 0.00 0.32 1.22 -0.69 0.37 0.00 0.00 175.52 176.73 2pwm s VAL 59 N -3.05 3.52 -0.04 3.16 1.01 -1.07 -4.97 120.40 118.96 2pwm s VAL 59 Ca 0.05 0.57 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 2pwm s VAL 59 Cb 0.07 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2pwm s VAL 59 CO 0.72 -0.29 0.13 -0.83 0.00 0.00 0.00 175.10 174.84 2pwm s GLY 60 N 5.20 2.11 0.00 4.51 0.00 -1.26 -4.88 107.32 113.00 2pwm s GLY 60 Ca 0.78 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2pwm s GLY 60 CO 0.32 -0.59 0.00 0.61 0.00 0.00 0.00 173.10 173.44 2pwm n GLY 61 N 1.37 0.05 4.19 0.20 0.00 -1.26 -4.96 105.19 104.78 2pwm n GLY 61 Ca -0.14 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 2pwm n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pwm n HIS 62 N 0.00 -1.60 0.13 1.61 8.25 -1.26 -4.84 115.22 117.50 2pwm n HIS 62 Ca 0.00 0.75 -0.02 0.00 -0.26 0.00 0.00 57.72 58.19 2pwm n HIS 62 Cb 0.00 -3.05 0.17 0.00 1.12 0.00 0.00 29.99 28.23 2pwm n HIS 62 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 2pwm h GLN 63 N -1.57 0.05 -0.43 -0.41 3.07 -1.94 -0.62 115.11 113.26 2pwm h GLN 63 Ca -0.61 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.07 2pwm h GLN 63 Cb 1.38 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.93 2pwm h GLN 63 CO 0.74 0.64 0.17 0.00 0.09 0.00 0.00 178.83 180.47 2pwm h ALA 64 N 1.35 0.56 -0.89 0.06 0.00 -1.99 -1.11 119.26 117.24 2pwm h ALA 64 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2pwm h ALA 64 Cb 1.09 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2pwm h ALA 64 CO 0.08 0.17 0.50 0.00 0.00 0.00 0.00 179.25 180.01 2pwm h ALA 65 N 1.02 1.14 -0.25 0.00 0.00 -1.87 -1.83 119.26 117.47 2pwm h ALA 65 Ca 0.14 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2pwm h ALA 65 Cb 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2pwm h ALA 65 CO -0.01 0.63 -0.40 0.52 0.00 0.00 0.00 179.25 179.99 2pwm h MET 66 N 1.24 0.58 -0.59 0.00 2.86 -0.93 0.21 114.93 118.30 2pwm h MET 66 Ca 0.31 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2pwm h MET 66 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2pwm h MET 66 CO -0.05 0.88 0.19 0.37 1.06 0.00 0.00 176.91 179.35 2pwm h GLN 67 N 0.48 0.92 -0.41 1.72 5.75 -1.04 -0.26 115.11 122.27 2pwm h GLN 67 Ca 0.04 -0.20 -0.09 0.00 -0.15 0.00 0.00 58.65 58.26 2pwm h GLN 67 Cb 0.90 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.30 2pwm h GLN 67 CO 0.08 0.82 -0.11 1.98 -2.65 0.00 0.00 178.83 178.94 2pwm h MET 68 N 0.84 0.72 -0.25 1.69 4.05 -1.07 -1.89 114.93 119.02 2pwm h MET 68 Ca 0.19 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 2pwm h MET 68 Cb 0.28 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 2pwm h MET 68 CO -0.01 0.81 0.11 1.25 0.23 0.00 0.00 176.91 179.31 2pwm h LEU 69 N 0.66 0.33 -0.56 3.39 5.85 -0.67 -0.92 115.31 123.38 2pwm h LEU 69 Ca 0.11 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.79 2pwm h LEU 69 Cb 0.57 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 2pwm h LEU 69 CO 0.04 0.38 0.16 0.50 -0.34 0.00 0.00 178.44 179.18 2pwm h LYS 70 N 0.26 0.30 -0.64 1.25 3.64 -0.78 -1.04 116.57 119.57 2pwm h LYS 70 Ca 0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2pwm h LYS 70 Cb 0.14 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2pwm h LYS 70 CO -0.01 0.20 0.32 0.93 -2.27 0.00 0.00 179.45 178.62 2pwm h GLU 71 N 0.31 0.92 -0.39 1.90 5.08 -1.04 -0.56 114.58 120.80 2pwm h GLU 71 Ca 0.28 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2pwm h GLU 71 Cb 0.37 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2pwm h GLU 71 CO -0.33 0.72 0.25 1.15 -1.00 0.00 0.00 179.01 179.80 2pwm h THR 72 N 0.88 1.07 -0.48 1.13 2.02 -0.68 -1.76 112.91 115.08 2pwm h THR 72 Ca 0.22 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 2pwm h THR 72 Cb 0.10 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2pwm h THR 72 CO -0.03 0.09 0.23 0.40 0.37 0.00 0.00 175.52 176.58 2pwm h ILE 73 N 0.50 1.19 -0.82 3.11 2.04 -0.79 -1.48 117.51 121.25 2pwm h ILE 73 Ca 0.15 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.50 2pwm h ILE 73 Cb -0.03 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2pwm h ILE 73 CO -0.05 0.21 0.53 0.78 0.00 0.00 0.00 178.15 179.62 2pwm h ASN 74 N 0.63 0.88 -0.43 1.72 2.35 -0.83 -0.21 115.58 119.70 2pwm h ASN 74 Ca 0.17 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 2pwm h ASN 74 Cb 0.12 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2pwm h ASN 74 CO -0.02 0.60 -0.16 -0.08 -1.65 0.00 0.00 177.43 176.13 2pwm h GLU 75 N 1.03 0.87 -0.56 0.81 4.81 -1.01 -2.28 114.58 118.25 2pwm h GLU 75 Ca 0.33 -0.36 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 2pwm h GLU 75 Cb 0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2pwm h GLU 75 CO -0.11 1.00 0.04 0.93 -0.73 0.00 0.00 179.01 180.14 2pwm h GLU 76 N 0.69 0.92 -0.72 1.92 4.39 -0.94 -1.27 114.58 119.57 2pwm h GLU 76 Ca 0.10 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 2pwm h GLU 76 Cb 0.71 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2pwm h GLU 76 CO 0.05 0.89 0.19 0.00 -1.16 0.00 0.00 179.01 178.98 2pwm h ALA 77 N 1.18 0.94 -0.18 3.43 0.00 -0.95 0.19 119.26 123.88 2pwm h ALA 77 Ca 0.17 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 2pwm h ALA 77 Cb 0.45 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2pwm h ALA 77 CO 0.02 0.66 -0.61 0.00 0.00 0.00 0.00 179.25 179.31 2pwm h ALA 78 N 1.09 0.58 -0.49 0.00 0.00 -1.17 -2.74 119.26 116.53 2pwm h ALA 78 Ca 0.23 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2pwm h ALA 78 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2pwm h ALA 78 CO -0.00 0.70 0.18 0.93 0.00 0.00 0.00 179.25 181.06 2pwm h GLU 79 N 0.46 0.74 -0.43 0.00 4.39 -1.10 -2.82 114.58 115.82 2pwm h GLU 79 Ca -0.01 -0.15 0.09 0.00 0.34 0.00 0.00 59.36 59.64 2pwm h GLU 79 Cb 1.19 -0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 29.64 2pwm h GLU 79 CO 0.12 0.68 -0.16 2.35 -1.16 0.00 0.00 179.01 180.84 2pwm h TRP 80 N 0.65 -0.39 -0.59 4.33 2.91 -0.43 -0.59 115.95 121.84 2pwm h TRP 80 Ca 0.16 0.04 0.10 0.00 1.13 0.00 0.00 58.89 60.32 2pwm h TRP 80 Cb 0.23 0.24 -0.08 0.00 -0.51 0.00 0.00 29.16 29.04 2pwm h TRP 80 CO 0.01 -0.25 0.19 -0.44 -1.03 0.00 0.00 178.44 176.92 2pwm h ASP 81 N -0.07 0.14 -0.60 2.65 3.32 -1.32 -0.21 116.42 120.32 2pwm h ASP 81 Ca 0.21 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 2pwm h ASP 81 Cb 0.39 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2pwm h ASP 81 CO -0.48 0.09 -0.00 -0.09 -1.72 0.00 0.00 179.24 177.03 2pwm h ARG 82 N 0.35 1.07 0.00 3.56 2.43 -1.09 -2.72 114.38 117.97 2pwm h ARG 82 Ca 0.30 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2pwm h ARG 82 Cb 0.41 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2pwm h ARG 82 CO -0.34 1.04 0.00 1.28 -1.51 0.00 0.00 179.97 180.45 2pwm n LEU 83 N -4.19 0.14 -3.26 3.80 4.77 -0.31 -4.31 117.00 113.63 2pwm n LEU 83 Ca 0.03 0.51 -0.25 0.00 -0.03 0.00 0.00 56.01 56.27 2pwm n LEU 83 Cb 0.35 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 2pwm n LEU 83 CO 0.44 -0.04 -0.14 1.41 -1.33 0.00 0.00 177.39 177.73 2pwm n HIS 84 N -1.63 1.31 -1.75 -1.77 8.25 -0.12 -5.07 115.22 114.44 2pwm n HIS 84 Ca 0.07 -3.81 -0.39 0.00 -0.26 0.00 0.00 57.72 53.33 2pwm n HIS 84 Cb 0.35 -0.44 0.04 0.00 1.12 0.00 0.00 29.99 31.06 2pwm n HIS 84 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2pwm n PRO 85 N 1.07 1.81 -4.29 -0.41 -0.02 -1.20 -4.78 135.00 127.19 2pwm n PRO 85 Ca 0.25 0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 62.23 2pwm n PRO 85 Cb 0.49 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.26 2pwm n PRO 85 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2pwm s VAL 86 N -1.27 1.03 -0.05 -1.45 -7.23 -1.26 -5.14 120.40 105.02 2pwm s VAL 86 Ca 0.70 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 58.65 2pwm s VAL 86 Cb -0.42 -2.17 -0.13 0.00 0.56 0.00 0.00 36.38 34.22 2pwm s VAL 86 CO 0.50 -0.47 0.76 0.45 -0.31 0.00 0.00 175.10 176.04 2pwm h HIS 87 N 2.59 -0.27 0.00 2.82 3.86 -2.02 -3.55 115.15 118.59 2pwm h HIS 87 Ca -0.38 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2pwm h HIS 87 Cb 1.21 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.77 2pwm h HIS 87 CO 0.59 0.09 0.00 -0.12 0.86 0.00 0.00 177.93 179.35 2pwm n MET 96 N -4.97 0.00 -1.86 2.45 0.00 -1.26 -5.13 117.12 106.35 2pwm n MET 96 Ca -0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 57.70 57.24 2pwm n MET 96 Cb 0.24 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.48 2pwm n MET 96 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 2pwm s ARG 97 N 0.00 3.62 0.42 2.12 1.70 -1.26 -4.99 118.95 120.56 2pwm s ARG 97 Ca 0.00 2.30 -0.24 0.00 -0.47 0.00 0.00 55.73 57.33 2pwm s ARG 97 Cb 0.00 -2.57 -0.08 0.00 -0.57 0.00 0.00 34.95 31.72 2pwm s ARG 97 CO 0.00 -0.83 1.13 -1.21 -1.08 0.00 0.00 175.30 173.31 2pwm s GLU 98 N -2.52 3.97 0.41 3.89 0.41 -1.26 -5.01 118.70 118.59 2pwm s GLU 98 Ca 0.63 1.71 -0.24 0.00 -0.41 0.00 0.00 54.97 56.66 2pwm s GLU 98 Cb -0.41 -2.53 -0.09 0.00 -1.78 0.00 0.00 34.13 29.32 2pwm s GLU 98 CO 0.52 -0.35 1.06 -1.25 -0.49 0.00 0.00 175.26 174.75 2pwm s PRO 99 N -2.51 4.12 0.60 0.39 0.04 -1.26 -5.07 135.00 131.31 2pwm s PRO 99 Ca 0.60 1.53 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2pwm s PRO 99 Cb -0.27 -2.51 0.07 0.00 0.04 0.00 0.00 34.50 31.82 2pwm s PRO 99 CO 0.34 -0.19 0.84 1.03 0.04 0.00 0.00 177.00 179.06 2pwm s ARG 100 N -2.54 2.26 0.21 4.56 1.81 -1.26 -4.93 118.95 119.06 2pwm s ARG 100 Ca 0.59 -0.95 -0.11 0.00 -1.72 0.00 0.00 55.73 53.55 2pwm s ARG 100 Cb -0.22 -2.45 0.29 0.00 -0.45 0.00 0.00 34.95 32.12 2pwm s ARG 100 CO 0.28 -0.95 1.68 0.78 -0.68 0.00 0.00 175.30 176.41 2pwm h GLY 101 N -0.10 0.69 2.00 -3.53 0.00 -1.92 -0.43 103.07 99.77 2pwm h GLY 101 Ca -0.39 0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2pwm h GLY 101 CO 0.48 -0.17 0.00 1.48 0.00 0.00 0.00 176.54 178.32 2pwm h SER 102 N 0.16 0.00 0.31 0.19 4.64 -1.96 -1.19 113.55 115.71 2pwm h SER 102 Ca 0.32 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.32 2pwm h SER 102 Cb 0.50 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.62 2pwm h SER 102 CO -0.48 0.00 -1.38 0.44 -0.87 0.00 0.00 176.83 174.54 2pwm h ASP 103 N 0.00 0.77 -0.63 4.97 3.32 -1.47 -0.71 116.42 122.67 2pwm h ASP 103 Ca 0.00 -0.79 -0.02 0.00 0.02 0.00 0.00 57.03 56.24 2pwm h ASP 103 Cb 0.45 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2pwm h ASP 103 CO 0.00 1.61 0.32 0.40 -1.72 0.00 0.00 179.24 179.86 2pwm h ILE 104 N 0.16 1.21 -0.01 0.35 2.04 -0.71 -2.62 117.51 117.93 2pwm h ILE 104 Ca -0.22 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2pwm h ILE 104 Cb 2.07 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2pwm h ILE 104 CO 0.25 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.64 2pwm n ALA 105 N -2.44 2.65 -0.83 1.87 0.00 -0.50 -4.64 120.51 116.62 2pwm n ALA 105 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2pwm n ALA 105 Cb 0.12 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2pwm n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwm n GLY 106 N 0.96 0.85 0.10 0.00 0.00 -0.99 -4.91 105.19 101.20 2pwm n GLY 106 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 2pwm n GLY 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pwm h THR 107 N 0.00 0.64 -0.00 2.61 1.35 -1.38 -3.37 112.91 112.75 2pwm h THR 107 Ca 0.00 -2.12 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 2pwm h THR 107 Cb 0.00 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2pwm h THR 107 CO 0.00 0.36 -0.15 0.35 -0.25 0.00 0.00 175.52 175.83 2pwm n THR 108 N -2.99 0.00 -4.13 6.82 -2.24 -0.90 -5.03 114.28 105.82 2pwm n THR 108 Ca -0.07 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 2pwm n THR 108 Cb 0.83 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 70.05 2pwm n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pwm s SER 109 N -1.11 5.41 0.57 3.42 1.04 -1.26 -4.91 113.70 116.86 2pwm s SER 109 Ca 0.05 0.01 -0.08 0.00 0.48 0.00 0.00 55.95 56.41 2pwm s SER 109 Cb 0.05 -1.46 -0.03 0.00 0.10 0.00 0.00 66.02 64.68 2pwm s SER 109 CO 0.18 0.23 0.93 0.42 0.98 0.00 0.00 173.24 175.97 2pwm s THR 110 N -1.25 4.68 0.22 2.02 -4.23 -1.26 -4.88 115.64 110.93 2pwm s THR 110 Ca 0.25 0.55 -0.08 0.00 -1.18 0.00 0.00 61.69 61.22 2pwm s THR 110 Cb -0.12 -3.83 0.17 0.00 1.34 0.00 0.00 72.50 70.06 2pwm s THR 110 CO 0.17 -0.97 1.72 0.25 -0.54 0.00 0.00 174.62 175.24 2pwm h LEU 111 N -0.11 0.13 -0.88 4.79 5.85 -1.99 -1.93 115.31 121.15 2pwm h LEU 111 Ca -0.45 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2pwm h LEU 111 Cb 1.20 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 2pwm h LEU 111 CO 0.62 0.06 0.53 -0.61 -0.34 0.00 0.00 178.44 178.70 2pwm h GLN 112 N 0.34 1.20 -0.81 1.25 4.15 -1.99 -1.99 115.11 117.26 2pwm h GLN 112 Ca 0.34 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.61 2pwm h GLN 112 Cb 0.49 -0.25 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 2pwm h GLN 112 CO -0.38 0.85 0.36 0.93 -1.93 0.00 0.00 178.83 178.66 2pwm h GLU 113 N 1.22 1.19 -0.13 1.69 5.08 -1.85 -0.48 114.58 121.29 2pwm h GLU 113 Ca 0.32 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2pwm h GLU 113 Cb -0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2pwm h GLU 113 CO -0.06 0.94 0.08 1.96 -1.00 0.00 0.00 179.01 180.94 2pwm h GLN 114 N 1.17 0.18 -0.78 2.33 4.20 -1.07 -0.98 115.11 120.15 2pwm h GLN 114 Ca 0.27 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 2pwm h GLN 114 Cb 0.17 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2pwm h GLN 114 CO -0.03 0.15 0.30 0.82 -0.67 0.00 0.00 178.83 179.40 2pwm h ILE 115 N 0.16 1.26 -0.68 2.54 2.04 -1.27 -1.26 117.51 120.29 2pwm h ILE 115 Ca 0.05 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 2pwm h ILE 115 Cb 0.01 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 2pwm h ILE 115 CO -0.01 0.34 0.42 1.23 0.00 0.00 0.00 178.15 180.13 2pwm h GLY 116 N 1.14 0.98 0.59 5.37 0.00 -0.79 -1.03 103.07 109.34 2pwm h GLY 116 Ca 0.26 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 2pwm h GLY 116 CO -0.02 0.38 -0.15 1.49 0.00 0.00 0.00 176.54 178.24 2pwm h TRP 117 N 0.94 0.28 -0.02 5.60 6.55 -0.96 -2.36 115.95 125.97 2pwm h TRP 117 Ca 0.25 -0.11 0.01 0.00 0.95 0.00 0.00 58.89 59.99 2pwm h TRP 117 Cb -0.06 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.19 2pwm h TRP 117 CO 0.00 0.76 0.02 0.52 -1.05 0.00 0.00 178.44 178.69 2pwm h MET 118 N -0.28 0.00 -0.20 0.49 2.86 -0.95 -0.40 114.93 116.45 2pwm h MET 118 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2pwm h MET 118 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2pwm h MET 118 CO 0.03 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.25 2pwm n THR 119 N -4.13 0.83 -1.41 2.22 -2.24 -0.41 -4.63 114.28 104.51 2pwm n THR 119 Ca -0.02 -0.91 -0.33 0.00 -2.27 0.00 0.00 64.05 60.51 2pwm n THR 119 Cb 0.11 0.61 0.09 0.00 -2.10 0.00 0.00 70.33 69.04 2pwm n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2pwm s HIS 120 N -0.94 2.25 -0.45 4.78 5.04 -0.89 -4.88 115.29 120.20 2pwm s HIS 120 Ca 0.15 1.61 -0.05 0.00 -1.54 0.00 0.00 55.06 55.23 2pwm s HIS 120 Cb 0.08 -3.29 0.12 0.00 0.04 0.00 0.00 32.58 29.53 2pwm s HIS 120 CO 0.11 -2.22 0.27 1.21 -2.34 0.00 0.00 174.74 171.76 2pwm s ASN 121 N -2.50 5.38 0.55 9.88 2.47 -1.26 -0.35 114.94 129.11 2pwm s ASN 121 Ca 0.69 -2.08 -0.05 0.00 0.42 0.00 0.00 52.86 51.84 2pwm s ASN 121 Cb -0.24 -1.88 0.00 0.00 -1.45 0.00 0.00 41.25 37.68 2pwm s ASN 121 CO 0.47 -0.57 0.84 -2.16 -3.72 0.00 0.00 177.10 171.97 2pwm s PRO 122 N 1.08 3.01 0.50 0.43 0.05 -1.26 -5.12 135.00 133.70 2pwm s PRO 122 Ca 0.08 -0.08 -0.22 0.00 0.05 0.00 0.00 61.00 60.83 2pwm s PRO 122 Cb -0.23 -2.34 -0.06 0.00 0.05 0.00 0.00 34.50 31.92 2pwm s PRO 122 CO -0.03 -0.56 1.28 -2.14 0.05 0.00 0.00 177.00 175.59 2pwm s PRO 123 N -4.88 3.43 -0.51 0.56 0.02 0.53 -4.98 135.00 129.17 2pwm s PRO 123 Ca 0.52 2.05 -0.06 0.00 0.02 0.00 0.00 61.00 63.53 2pwm s PRO 123 Cb -0.10 -2.34 0.13 0.00 0.02 0.00 0.00 34.50 32.21 2pwm s PRO 123 CO 0.44 -0.90 0.36 0.42 -0.33 0.00 0.00 177.00 176.99 2pwm s ILE 124 N -1.40 3.93 -1.48 2.83 1.01 -0.19 -4.98 121.20 120.92 2pwm s ILE 124 Ca 0.68 -2.19 -0.12 0.00 0.00 0.00 0.00 60.65 59.01 2pwm s ILE 124 Cb -0.36 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.54 2pwm s ILE 124 CO 0.43 -0.79 2.40 -0.81 0.00 0.00 0.00 174.94 176.16 2pwm n PRO 125 N 4.42 3.20 0.06 2.79 -0.04 -1.26 -3.23 135.00 140.93 2pwm n PRO 125 Ca -0.01 -2.61 0.15 0.00 -0.04 0.00 0.00 63.50 60.99 2pwm n PRO 125 Cb 0.41 -3.11 0.64 0.00 -0.04 0.00 0.00 33.50 31.40 2pwm n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pwm h VAL 126 N 3.67 0.85 -0.03 0.52 -1.51 -1.90 -0.07 116.25 117.79 2pwm h VAL 126 Ca 0.64 -0.03 -0.01 0.00 -1.23 0.00 0.00 66.70 66.07 2pwm h VAL 126 Cb 0.54 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 30.46 2pwm h VAL 126 CO 1.83 0.01 -0.01 1.23 -1.23 0.00 0.00 177.57 179.40 2pwm h GLY 127 N 0.08 0.06 1.21 5.19 0.00 -1.85 -0.77 103.07 106.99 2pwm h GLY 127 Ca 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 2pwm h GLY 127 CO -0.01 0.05 0.37 0.83 0.00 0.00 0.00 176.54 177.78 2pwm h GLU 128 N -0.33 1.03 0.11 4.80 4.39 -1.61 0.11 114.58 123.07 2pwm h GLU 128 Ca 0.01 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2pwm h GLU 128 Cb 0.43 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2pwm h GLU 128 CO 0.00 0.78 -0.05 0.82 -1.16 0.00 0.00 179.01 179.40 2pwm h ILE 129 N 1.03 1.01 -0.77 3.13 2.04 -1.00 -1.58 117.51 121.36 2pwm h ILE 129 Ca 0.25 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2pwm h ILE 129 Cb 0.07 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 2pwm h ILE 129 CO -0.04 0.11 0.49 0.22 0.00 0.00 0.00 178.15 178.93 2pwm h TYR 130 N -0.35 0.99 -0.71 1.37 3.20 -0.89 -1.89 116.97 118.70 2pwm h TYR 130 Ca -0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2pwm h TYR 130 Cb 0.29 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 2pwm h TYR 130 CO -0.01 0.65 0.38 0.87 -1.64 0.00 0.00 178.16 178.41 2pwm h LYS 131 N 1.06 0.99 -0.44 1.82 1.57 -0.57 -0.54 116.57 120.45 2pwm h LYS 131 Ca 0.28 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2pwm h LYS 131 Cb -0.08 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 2pwm h LYS 131 CO -0.06 0.73 0.24 -0.09 -0.57 0.00 0.00 179.45 179.71 2pwm h ARG 132 N 1.00 0.61 -0.65 3.15 2.43 -0.47 -0.22 114.38 120.22 2pwm h ARG 132 Ca 0.25 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2pwm h ARG 132 Cb 0.04 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 2pwm h ARG 132 CO -0.04 0.48 0.18 -1.49 -1.51 0.00 0.00 179.97 177.59 2pwm h TRP 133 N 0.57 1.08 -0.47 2.20 6.55 -1.03 -1.12 115.95 123.72 2pwm h TRP 133 Ca 0.15 -0.12 0.02 0.00 0.95 0.00 0.00 58.89 59.89 2pwm h TRP 133 Cb 0.05 -0.31 -0.03 0.00 -0.86 0.00 0.00 29.16 28.01 2pwm h TRP 133 CO -0.02 0.88 0.28 0.82 -1.05 0.00 0.00 178.44 179.35 2pwm h ILE 134 N 0.96 1.05 -0.50 1.49 2.04 -0.79 -1.35 117.51 120.41 2pwm h ILE 134 Ca 0.21 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 2pwm h ILE 134 Cb 0.33 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2pwm h ILE 134 CO -0.00 0.10 0.12 0.40 0.00 0.00 0.00 178.15 178.78 2pwm h ILE 135 N 0.57 1.24 -0.67 -0.67 2.04 -0.83 0.14 117.51 119.32 2pwm h ILE 135 Ca 0.19 -0.84 0.14 0.00 1.00 0.00 0.00 64.86 65.35 2pwm h ILE 135 Cb 0.01 0.83 -0.11 0.00 -0.74 0.00 0.00 36.82 36.81 2pwm h ILE 135 CO -0.08 0.30 0.01 0.25 0.00 0.00 0.00 178.15 178.63 2pwm h LEU 136 N 0.69 -0.28 -0.79 1.44 5.85 -1.08 0.11 115.31 121.24 2pwm h LEU 136 Ca 0.16 0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.96 2pwm h LEU 136 Cb 0.33 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2pwm h LEU 136 CO 0.00 -0.13 0.03 1.23 -0.34 0.00 0.00 178.44 179.23 2pwm h GLY 137 N 0.12 1.02 1.24 3.75 0.00 -0.35 -2.61 103.07 106.24 2pwm h GLY 137 Ca 0.36 -0.69 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 2pwm h GLY 137 CO -0.57 0.64 -0.14 1.41 0.00 0.00 0.00 176.54 177.88 2pwm h LEU 138 N 0.88 0.89 -1.45 3.11 3.38 -0.12 -1.22 115.31 120.77 2pwm h LEU 138 Ca 0.17 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2pwm h LEU 138 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2pwm h LEU 138 CO 0.02 1.03 -0.17 0.78 0.09 0.00 0.00 178.44 180.18 2pwm h ASN 139 N 0.79 0.14 -0.23 -0.43 2.35 -0.65 -0.29 115.58 117.25 2pwm h ASN 139 Ca 0.12 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 2pwm h ASN 139 Cb 0.67 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2pwm h ASN 139 CO 0.05 0.33 -0.09 0.11 -1.65 0.00 0.00 177.43 176.17 2pwm h LYS 140 N 0.14 0.47 -0.28 0.81 1.57 -1.04 -3.31 116.57 114.91 2pwm h LYS 140 Ca 0.03 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 2pwm h LYS 140 Cb 0.39 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2pwm h LYS 140 CO 0.03 0.73 -0.24 0.82 -0.57 0.00 0.00 179.45 180.21 2pwm h ILE 141 N 0.19 1.27 -1.09 1.86 1.08 -0.77 -2.53 117.51 117.51 2pwm h ILE 141 Ca 0.05 -1.28 0.30 0.00 -0.39 0.00 0.00 64.86 63.54 2pwm h ILE 141 Cb 0.58 1.32 -0.07 0.00 -3.07 0.00 0.00 36.82 35.57 2pwm h ILE 141 CO 0.03 0.41 0.74 0.58 -0.69 0.00 0.00 178.15 179.23 2pwm h VAL 142 N 0.48 0.47 0.00 1.67 2.07 -1.15 0.88 116.25 120.66 2pwm h VAL 142 Ca 0.07 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2pwm h VAL 142 Cb 0.68 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2pwm h VAL 142 CO 0.05 0.04 -0.14 0.03 0.02 0.00 0.00 177.57 177.56 2pwm h ARG 143 N 0.19 0.00 0.00 1.57 3.08 -1.62 -1.53 114.38 116.07 2pwm h ARG 143 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.62 2pwm h ARG 143 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.90 2pwm h ARG 143 CO -0.16 0.14 0.00 -1.33 -1.07 0.00 0.00 179.97 177.56 2pwm n MET 144 N -3.61 0.17 0.00 0.04 2.81 0.30 -5.20 117.12 111.64 2pwm n MET 144 Ca -0.01 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 2pwm n MET 144 Cb 0.27 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 2pwm n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14