#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 1.75 0.10 0.52 1.01 -1.26 -1.17 121.20 122.15 2pwm s ILE 2 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.78 2pwm s ILE 2 Cb 0.00 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 2pwm s ILE 2 CO 0.00 0.49 -0.07 0.54 0.00 0.00 0.00 174.94 175.90 2pwm s VAL 3 N -0.06 0.76 -0.17 2.92 0.11 -0.26 -4.89 120.40 118.81 2pwm s VAL 3 Ca -0.04 -1.91 -0.10 0.00 -2.93 0.00 0.00 61.98 57.00 2pwm s VAL 3 Cb -0.13 -1.65 -0.05 0.00 -1.53 0.00 0.00 36.38 33.03 2pwm s VAL 3 CO 0.03 -0.83 0.17 -1.58 -3.33 0.00 0.00 175.10 169.57 2pwm s GLN 4 N -3.69 4.06 0.37 1.54 0.74 -1.26 -0.69 119.66 120.73 2pwm s GLN 4 Ca 0.11 -0.12 -0.01 0.00 0.05 0.00 0.00 55.36 55.39 2pwm s GLN 4 Cb 0.04 -3.37 0.07 0.00 1.10 0.00 0.00 33.01 30.85 2pwm s GLN 4 CO -0.04 0.38 0.50 0.27 -0.55 0.00 0.00 175.29 175.86 2pwm n ASN 5 N 3.21 0.62 0.13 6.67 0.23 0.23 -4.90 115.26 121.44 2pwm n ASN 5 Ca -0.16 -1.54 0.12 0.00 -0.53 0.00 0.00 54.58 52.47 2pwm n ASN 5 Cb 0.53 -0.33 0.48 0.00 -2.08 0.00 0.00 39.78 38.38 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 0.66 -0.02 -4.53 4.77 -1.26 -1.27 117.00 115.36 2pwm n LEU 6 Ca 0.08 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.84 2pwm n LEU 6 Cb 0.29 -0.56 0.34 0.00 -2.33 0.00 0.00 43.42 41.16 2pwm n LEU 6 CO 0.20 -0.53 0.57 0.00 -1.33 0.00 0.00 177.39 176.30 2pwm n GLN 7 N -2.22 0.06 -0.31 3.23 3.00 -1.26 -4.94 117.38 114.94 2pwm n GLN 7 Ca 0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2pwm n GLN 7 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.98 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 1.49 0.77 3.89 1.08 0.00 -0.39 -5.07 105.19 106.95 2pwm n GLY 8 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.69 3.67 -0.18 1.61 -1.52 -1.26 -4.77 119.66 116.52 2pwm s GLN 9 Ca 0.00 0.01 -0.21 0.00 -1.95 0.00 0.00 55.36 53.21 2pwm s GLN 9 Cb 0.00 -2.78 -0.03 0.00 -0.22 0.00 0.00 33.01 29.99 2pwm s GLN 9 CO 0.00 0.40 0.65 -1.64 -0.25 0.00 0.00 175.29 174.45 2pwm s MET 10 N -2.80 4.25 0.21 2.91 -1.94 -1.26 -0.60 119.30 120.06 2pwm s MET 10 Ca 0.43 0.67 0.01 0.00 -1.71 0.00 0.00 55.69 55.08 2pwm s MET 10 Cb -0.12 -3.56 -0.05 0.00 2.01 0.00 0.00 34.83 33.12 2pwm s MET 10 CO 0.24 -0.20 0.07 0.14 -0.01 0.00 0.00 175.02 175.26 2pwm s VAL 11 N 1.76 0.45 0.32 -6.03 -7.23 0.13 -4.96 120.40 104.84 2pwm s VAL 11 Ca 0.30 -1.98 -0.27 0.00 -1.81 0.00 0.00 61.98 58.21 2pwm s VAL 11 Cb -0.16 -2.39 -0.09 0.00 0.56 0.00 0.00 36.38 34.29 2pwm s VAL 11 CO 0.11 -0.19 1.08 -2.28 -0.31 0.00 0.00 175.10 173.51 2pwm s HIS 12 N -3.83 3.47 -0.09 2.82 2.46 -1.26 -1.10 115.29 117.75 2pwm s HIS 12 Ca 0.32 1.68 0.04 0.00 0.47 0.00 0.00 55.06 57.58 2pwm s HIS 12 Cb 0.07 -3.22 0.00 0.00 -0.13 0.00 0.00 32.58 29.30 2pwm s HIS 12 CO 0.09 -0.57 -0.23 -1.14 -2.47 0.00 0.00 174.74 170.43 2pwm s GLN 13 N -1.83 2.88 0.65 2.88 0.74 -0.32 -4.76 119.66 119.90 2pwm s GLN 13 Ca 0.49 -0.83 -0.12 0.00 0.05 0.00 0.00 55.36 54.95 2pwm s GLN 13 Cb -0.28 -2.20 -0.02 0.00 1.10 0.00 0.00 33.01 31.61 2pwm s GLN 13 CO 0.36 0.18 1.05 0.00 -0.55 0.00 0.00 175.29 176.32 2pwm s ALA 14 N 0.34 2.81 0.16 1.58 0.00 -1.26 -1.00 121.76 124.40 2pwm s ALA 14 Ca -0.18 0.10 -0.32 0.00 0.00 0.00 0.00 51.96 51.56 2pwm s ALA 14 Cb -0.18 -3.16 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 2pwm s ALA 14 CO 0.08 -0.97 1.74 -0.89 0.00 0.00 0.00 175.76 175.73 2pwm n ILE 15 N -2.77 0.14 -1.94 0.00 5.41 -1.26 -4.67 119.36 114.27 2pwm n ILE 15 Ca 0.07 -0.02 -0.32 0.00 1.00 0.00 0.00 62.75 63.48 2pwm n ILE 15 Cb 0.54 -1.96 0.02 0.00 -0.71 0.00 0.00 39.64 37.53 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 1.73 5.70 0.21 4.38 1.04 -1.26 -4.82 113.70 120.67 2pwm s SER 16 Ca 0.78 1.77 -0.11 0.00 0.48 0.00 0.00 55.95 58.88 2pwm s SER 16 Cb -0.53 -2.52 0.28 0.00 0.10 0.00 0.00 66.02 63.34 2pwm s SER 16 CO 0.35 -1.23 1.67 -0.65 0.98 0.00 0.00 173.24 174.36 2pwm h PRO 17 N 0.19 0.11 -0.35 4.02 0.11 -1.99 -0.65 132.00 133.44 2pwm h PRO 17 Ca -0.46 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.70 2pwm h PRO 17 Cb 1.22 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 2pwm h PRO 17 CO 0.57 0.07 0.01 0.00 -0.21 0.00 0.00 178.00 178.45 2pwm h ARG 18 N 0.12 0.11 -0.18 1.05 3.08 -1.99 0.14 114.38 116.70 2pwm h ARG 18 Ca 0.31 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2pwm h ARG 18 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2pwm h ARG 18 CO -0.51 0.07 0.09 1.15 -1.07 0.00 0.00 179.97 179.70 2pwm h THR 19 N 0.11 1.12 -0.52 2.04 2.02 -1.79 -0.86 112.91 115.03 2pwm h THR 19 Ca 0.17 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 2pwm h THR 19 Cb 0.23 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2pwm h THR 19 CO -0.28 0.11 -0.12 0.25 0.37 0.00 0.00 175.52 175.86 2pwm h LEU 20 N 0.17 1.00 -0.45 2.58 5.85 -0.92 -0.55 115.31 122.99 2pwm h LEU 20 Ca 0.06 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.47 2pwm h LEU 20 Cb 0.10 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2pwm h LEU 20 CO -0.01 1.13 0.21 0.78 -0.34 0.00 0.00 178.44 180.21 2pwm h ASN 21 N 0.86 0.28 -0.73 1.25 2.35 -0.65 -1.37 115.58 117.58 2pwm h ASN 21 Ca 0.13 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 2pwm h ASN 21 Cb 0.68 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 2pwm h ASN 21 CO 0.05 0.20 0.30 0.00 -1.65 0.00 0.00 177.43 176.33 2pwm h ALA 22 N 1.26 0.94 -0.51 -0.83 0.00 -0.77 -2.29 119.26 117.07 2pwm h ALA 22 Ca 0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2pwm h ALA 22 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2pwm h ALA 22 CO -0.16 0.55 0.12 2.35 0.00 0.00 0.00 179.25 182.12 2pwm h TRP 23 N 1.04 0.85 -0.66 0.00 -0.00 -0.85 0.42 115.95 116.76 2pwm h TRP 23 Ca 0.24 -0.10 0.10 0.00 -0.00 0.00 0.00 58.89 59.14 2pwm h TRP 23 Cb 0.19 -0.24 -0.08 0.00 -0.00 0.00 0.00 29.16 29.04 2pwm h TRP 23 CO 0.02 0.75 0.26 0.28 -0.00 0.00 0.00 178.44 179.75 2pwm h VAL 24 N 0.70 0.76 -0.61 2.65 2.07 -1.21 0.84 116.25 121.44 2pwm h VAL 24 Ca 0.16 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2pwm h VAL 24 Cb 0.33 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2pwm h VAL 24 CO 0.00 0.08 0.01 0.11 0.02 0.00 0.00 177.57 177.80 2pwm h LYS 25 N 0.44 1.07 -0.33 1.57 1.57 -0.90 0.97 116.57 120.96 2pwm h LYS 25 Ca 0.34 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2pwm h LYS 25 Cb 0.43 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2pwm h LYS 25 CO -0.32 1.03 0.12 0.28 -0.57 0.00 0.00 179.45 179.98 2pwm h VAL 26 N 0.98 1.20 -0.17 0.50 2.07 -0.56 -2.17 116.25 118.09 2pwm h VAL 26 Ca 0.18 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2pwm h VAL 26 Cb 0.54 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2pwm h VAL 26 CO 0.03 0.22 0.11 0.58 0.02 0.00 0.00 177.57 178.52 2pwm h VAL 27 N 0.38 1.05 -0.44 2.57 2.07 -0.38 0.28 116.25 121.78 2pwm h VAL 27 Ca 0.11 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2pwm h VAL 27 Cb 0.22 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2pwm h VAL 27 CO -0.01 0.05 0.29 -0.33 0.02 0.00 0.00 177.57 177.60 2pwm h GLU 28 N 0.22 0.58 0.00 1.57 4.39 -0.67 -0.97 114.58 119.70 2pwm h GLU 28 Ca 0.06 -0.04 -0.33 0.00 0.34 0.00 0.00 59.36 59.39 2pwm h GLU 28 Cb -0.01 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.45 2pwm h GLU 28 CO -0.01 0.39 -2.06 -1.91 -1.16 0.00 0.00 179.01 174.26 2pwm n GLU 29 N -4.47 0.66 0.00 2.33 2.13 -0.83 -4.73 120.64 115.73 2pwm n GLU 29 Ca 0.04 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2pwm n GLU 29 Cb 0.06 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.11 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 -2.91 2.74 -2.02 5.31 5.02 0.96 -5.03 118.16 122.24 2pwm n LYS 30 Ca -0.25 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.62 2pwm n LYS 30 Cb 1.10 -0.77 -0.03 0.00 -0.02 0.00 0.00 35.03 35.31 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 -1.50 3.71 -0.54 7.82 0.00 -0.38 -0.26 121.76 130.61 2pwm s ALA 31 Ca 0.00 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.28 2pwm s ALA 31 Cb 0.00 -3.60 0.37 0.00 0.00 0.00 0.00 23.12 19.89 2pwm s ALA 31 CO 0.00 -0.74 1.05 1.19 0.00 0.00 0.00 175.76 177.26 2pwm n PHE 32 N 4.04 3.77 -0.83 0.00 3.72 -1.26 -5.00 117.46 121.90 2pwm n PHE 32 Ca 0.13 -3.60 -0.31 0.00 -0.05 0.00 0.00 57.45 53.62 2pwm n PHE 32 Cb 0.40 -0.35 0.15 0.00 -0.94 0.00 0.00 39.48 38.74 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 -3.43 3.22 0.57 4.37 1.04 0.64 -3.92 113.70 116.19 2pwm s SER 33 Ca 0.48 2.08 0.26 0.00 0.48 0.00 0.00 55.95 59.25 2pwm s SER 33 Cb 0.33 -2.54 1.62 0.00 0.10 0.00 0.00 66.02 65.52 2pwm s SER 33 CO -0.16 -2.90 2.18 1.55 0.98 0.00 0.00 173.24 174.89 2pwm h PRO 34 N -1.73 0.00 -0.12 4.02 0.13 -1.89 -1.72 132.00 130.70 2pwm h PRO 34 Ca -0.44 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.73 2pwm h PRO 34 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2pwm h PRO 34 CO 0.44 0.00 0.13 0.93 -0.23 0.00 0.00 178.00 179.27 2pwm h GLU 35 N 0.00 0.00 -0.06 0.86 3.07 -1.92 -2.14 114.58 114.39 2pwm h GLU 35 Ca 0.03 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.83 2pwm h GLU 35 Cb 0.17 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2pwm h GLU 35 CO -0.00 0.00 -0.25 -0.24 -1.40 0.00 0.00 179.01 177.12 2pwm h VAL 36 N 0.00 1.21 0.59 3.13 3.04 -1.53 -3.34 116.25 119.34 2pwm h VAL 36 Ca 0.06 -0.98 -0.03 0.00 -1.01 0.00 0.00 66.70 64.74 2pwm h VAL 36 Cb 0.31 1.45 0.01 0.00 -2.01 0.00 0.00 31.29 31.04 2pwm h VAL 36 CO -0.00 0.29 -0.28 0.40 -1.01 0.00 0.00 177.57 176.96 2pwm h ILE 37 N 0.09 0.39 -0.25 3.17 2.04 -1.57 0.88 117.51 122.26 2pwm h ILE 37 Ca 0.02 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.76 2pwm h ILE 37 Cb 0.50 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2pwm h ILE 37 CO 0.04 0.02 0.17 -0.65 0.00 0.00 0.00 178.15 177.73 2pwm h PRO 38 N -0.89 0.22 -0.02 2.37 0.11 -1.77 0.02 132.00 132.05 2pwm h PRO 38 Ca -0.08 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 2pwm h PRO 38 Cb 0.64 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 2pwm h PRO 38 CO 0.13 0.14 0.00 0.52 -0.21 0.00 0.00 178.00 178.59 2pwm h MET 39 N 0.22 0.03 -0.70 1.05 2.86 -1.63 -2.09 114.93 114.67 2pwm h MET 39 Ca 0.10 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.84 2pwm h MET 39 Cb 0.14 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.73 2pwm h MET 39 CO -0.02 0.32 0.33 0.35 1.06 0.00 0.00 176.91 178.95 2pwm h PHE 40 N -0.27 0.58 -0.70 -0.22 3.57 -0.35 0.60 116.94 120.14 2pwm h PHE 40 Ca 0.00 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.58 2pwm h PHE 40 Cb 0.31 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 2pwm h PHE 40 CO 0.03 0.18 0.42 0.77 -2.23 0.00 0.00 178.31 177.48 2pwm h SER 41 N 0.55 0.66 -0.02 0.41 0.02 -0.86 -0.79 113.55 113.53 2pwm h SER 41 Ca 0.35 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.27 2pwm h SER 41 Cb 0.41 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2pwm h SER 41 CO -0.30 0.44 -0.19 0.00 -1.14 0.00 0.00 176.83 175.64 2pwm h ALA 42 N 1.33 0.04 0.00 3.77 0.00 -1.19 -3.24 119.26 119.98 2pwm h ALA 42 Ca 0.30 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2pwm h ALA 42 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2pwm h ALA 42 CO -0.14 0.04 -0.19 -0.07 0.00 0.00 0.00 179.25 178.89 2pwm h LEU 43 N -0.48 0.00 -1.20 0.00 3.38 -0.68 -1.98 115.31 114.35 2pwm h LEU 43 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pwm h LEU 43 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2pwm h LEU 43 CO 0.04 0.19 0.00 -1.54 0.09 0.00 0.00 178.44 177.21 2pwm n SER 44 N -3.67 1.77 -4.67 -0.43 3.41 -0.32 -4.94 113.62 104.78 2pwm n SER 44 Ca -0.01 -1.85 -0.48 0.00 -0.26 0.00 0.00 58.87 56.27 2pwm n SER 44 Cb 0.31 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.42 2.00 -0.96 4.33 2.13 -0.75 -0.91 120.64 126.90 2pwm n GLU 45 Ca 0.14 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.69 2pwm n GLU 45 Cb 0.31 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.53 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 3.61 0.57 3.75 8.31 0.00 -1.26 -4.96 105.19 115.21 2pwm n GLY 46 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.47 3.54 0.77 4.61 0.00 -0.08 -4.16 121.76 123.97 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 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.67 2pwm s ALA 47 CO 0.00 -0.61 1.08 0.95 0.00 0.00 0.00 175.76 177.19 2pwm s THR 48 N -0.29 3.37 0.36 0.00 -4.23 -1.26 -4.48 115.64 109.10 2pwm s THR 48 Ca 0.55 0.44 0.12 0.00 -1.18 0.00 0.00 61.69 61.63 2pwm s THR 48 Cb -0.39 -3.18 0.35 0.00 1.34 0.00 0.00 72.50 70.62 2pwm s THR 48 CO 0.44 -0.58 1.80 -0.65 -0.54 0.00 0.00 174.62 175.09 2pwm h PRO 49 N -0.98 0.55 -0.42 3.99 0.11 -1.85 0.11 132.00 133.51 2pwm h PRO 49 Ca -0.46 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.65 2pwm h PRO 49 Cb 1.25 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 2pwm h PRO 49 CO 0.58 0.37 0.21 0.37 -0.21 0.00 0.00 178.00 179.32 2pwm h GLN 50 N 0.57 0.41 -0.42 1.05 4.15 -1.90 -0.31 115.11 118.66 2pwm h GLN 50 Ca 0.55 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.86 2pwm h GLN 50 Cb 1.12 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 2pwm h GLN 50 CO -0.30 0.27 -0.09 -0.44 -1.93 0.00 0.00 178.83 176.35 2pwm h ASP 51 N 0.42 0.72 -0.56 -0.69 3.32 -1.52 -1.03 116.42 117.08 2pwm h ASP 51 Ca 0.18 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.05 2pwm h ASP 51 Cb 0.09 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 2pwm h ASP 51 CO -0.13 0.84 0.34 -0.07 -1.72 0.00 0.00 179.24 178.50 2pwm h LEU 52 N 0.67 0.56 -1.16 1.55 3.38 -0.44 -1.05 115.31 118.83 2pwm h LEU 52 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2pwm h LEU 52 Cb 0.54 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2pwm h LEU 52 CO 0.03 0.40 -0.04 0.78 0.09 0.00 0.00 178.44 179.69 2pwm h ASN 53 N 0.68 0.51 -0.36 -0.43 -0.26 -0.66 -0.54 115.58 114.52 2pwm h ASN 53 Ca 0.22 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 2pwm h ASN 53 Cb 0.01 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 2pwm h ASN 53 CO -0.09 0.61 0.18 0.74 -1.06 0.00 0.00 177.43 177.81 2pwm h THR 54 N 0.51 1.16 -0.50 2.81 2.02 -0.71 -1.02 112.91 117.17 2pwm h THR 54 Ca 0.10 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 2pwm h THR 54 Cb 0.40 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2pwm h THR 54 CO 0.02 0.17 0.31 0.24 0.37 0.00 0.00 175.52 176.62 2pwm h MET 55 N 0.44 0.68 -0.53 6.66 2.86 -0.73 -2.47 114.93 121.85 2pwm h MET 55 Ca 0.12 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 2pwm h MET 55 Cb 0.10 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2pwm h MET 55 CO -0.02 0.49 0.07 -0.07 1.06 0.00 0.00 176.91 178.45 2pwm h LEU 56 N 0.68 0.79 -0.01 1.22 3.38 -0.88 -2.90 115.31 117.59 2pwm h LEU 56 Ca 0.18 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2pwm h LEU 56 Cb -0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2pwm h LEU 56 CO -0.03 0.82 -0.00 0.59 0.09 0.00 0.00 178.44 179.90 2pwm n ASN 57 N -4.24 0.01 0.19 -0.43 3.02 -0.41 -2.70 115.26 110.70 2pwm n ASN 57 Ca 0.03 -0.31 0.07 0.00 -0.03 0.00 0.00 54.58 54.34 2pwm n ASN 57 Cb 0.26 -0.23 0.19 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.02 0.52 -2.69 3.41 2.02 -1.22 -3.45 112.91 111.51 2pwm h THR 58 Ca 0.00 -1.57 -0.57 0.00 0.77 0.00 0.00 66.41 65.04 2pwm h THR 58 Cb 0.23 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 2pwm h THR 58 CO 0.00 0.28 1.20 -0.69 0.37 0.00 0.00 175.52 176.68 2pwm s VAL 59 N -3.21 3.56 0.02 3.16 1.01 -1.10 -4.98 120.40 118.87 2pwm s VAL 59 Ca 0.04 0.61 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 2pwm s VAL 59 Cb 0.07 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2pwm s VAL 59 CO 0.69 -0.32 0.26 -0.83 0.00 0.00 0.00 175.10 174.90 2pwm s GLY 60 N 5.09 2.23 0.00 4.51 0.00 -1.26 -4.88 107.32 113.01 2pwm s GLY 60 Ca 0.76 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.85 2pwm s GLY 60 CO 0.32 -0.48 0.00 0.61 0.00 0.00 0.00 173.10 173.55 2pwm n GLY 61 N 0.94 0.54 4.22 0.20 0.00 -1.26 -4.96 105.19 104.86 2pwm n GLY 61 Ca -0.10 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.25 1.61 8.25 -1.26 -4.85 115.22 117.12 2pwm n HIS 62 Ca 0.00 0.76 -0.07 0.00 -0.26 0.00 0.00 57.72 58.14 2pwm n HIS 62 Cb 0.00 -2.97 0.04 0.00 1.12 0.00 0.00 29.99 28.18 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 -1.53 1.07 -0.37 -0.41 3.07 -1.94 -0.81 115.11 114.20 2pwm h GLN 63 Ca -0.61 -0.23 0.05 0.00 0.09 0.00 0.00 58.65 57.94 2pwm h GLN 63 Cb 1.38 -0.15 -0.04 0.00 0.08 0.00 0.00 27.48 28.75 2pwm h GLN 63 CO 0.75 0.93 0.11 0.00 0.09 0.00 0.00 178.83 180.72 2pwm h ALA 64 N 1.09 0.42 -0.80 0.06 0.00 -2.00 -0.47 119.26 117.56 2pwm h ALA 64 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2pwm h ALA 64 Cb 0.31 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2pwm h ALA 64 CO -0.01 -0.28 0.50 0.00 0.00 0.00 0.00 179.25 179.46 2pwm h ALA 65 N 1.25 1.02 -0.35 0.00 0.00 -1.88 -1.82 119.26 117.47 2pwm h ALA 65 Ca 0.17 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2pwm h ALA 65 Cb 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2pwm h ALA 65 CO -0.19 0.46 -0.26 0.52 0.00 0.00 0.00 179.25 179.79 2pwm h MET 66 N 1.09 0.70 -0.62 0.00 2.86 -0.76 0.11 114.93 118.31 2pwm h MET 66 Ca 0.29 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 2pwm h MET 66 Cb -0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2pwm h MET 66 CO -0.06 0.89 0.11 0.37 1.06 0.00 0.00 176.91 179.28 2pwm h GLN 67 N 0.61 1.02 -0.45 1.72 5.75 -0.95 0.32 115.11 123.12 2pwm h GLN 67 Ca 0.08 -0.27 -0.11 0.00 -0.15 0.00 0.00 58.65 58.20 2pwm h GLN 67 Cb 0.75 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 2pwm h GLN 67 CO 0.06 0.95 -0.15 1.98 -2.65 0.00 0.00 178.83 179.02 2pwm h MET 68 N 0.93 0.85 -0.26 1.69 4.05 -0.99 -1.44 114.93 119.76 2pwm h MET 68 Ca 0.19 -0.31 -0.00 0.00 -0.28 0.00 0.00 59.70 59.29 2pwm h MET 68 Cb 0.42 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 2pwm h MET 68 CO 0.01 0.94 0.15 1.25 0.23 0.00 0.00 176.91 179.50 2pwm h LEU 69 N 0.76 0.31 -0.53 3.39 5.85 -0.50 -0.80 115.31 123.79 2pwm h LEU 69 Ca 0.12 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.85 2pwm h LEU 69 Cb 0.66 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 2pwm h LEU 69 CO 0.05 0.28 0.20 0.50 -0.34 0.00 0.00 178.44 179.13 2pwm h LYS 70 N 0.32 0.38 -0.60 1.25 3.64 -0.71 -0.75 116.57 120.10 2pwm h LYS 70 Ca 0.09 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2pwm h LYS 70 Cb 0.02 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 2pwm h LYS 70 CO -0.02 0.25 0.38 0.93 -2.27 0.00 0.00 179.45 178.72 2pwm h GLU 71 N 0.39 0.73 -0.15 1.90 5.08 -1.05 -1.23 114.58 120.25 2pwm h GLU 71 Ca 0.26 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2pwm h GLU 71 Cb 0.27 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2pwm h GLU 71 CO -0.25 0.48 0.05 1.15 -1.00 0.00 0.00 179.01 179.44 2pwm h THR 72 N 0.75 0.96 -0.59 1.13 2.02 -0.64 -1.91 112.91 114.63 2pwm h THR 72 Ca 0.24 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.43 2pwm h THR 72 Cb -0.01 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 2pwm h THR 72 CO -0.09 0.02 0.31 0.40 0.37 0.00 0.00 175.52 176.54 2pwm h ILE 73 N 0.12 0.95 -0.78 3.11 2.04 -0.95 -1.69 117.51 120.30 2pwm h ILE 73 Ca 0.06 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2pwm h ILE 73 Cb 0.04 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 2pwm h ILE 73 CO -0.07 0.11 0.44 0.78 0.00 0.00 0.00 178.15 179.41 2pwm h ASN 74 N 0.59 0.97 -0.44 1.72 2.35 -0.94 0.19 115.58 120.00 2pwm h ASN 74 Ca 0.27 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 2pwm h ASN 74 Cb 0.17 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2pwm h ASN 74 CO -0.18 0.77 -0.04 -0.08 -1.65 0.00 0.00 177.43 176.26 2pwm h GLU 75 N 1.08 0.81 -0.76 0.81 4.81 -1.01 -1.97 114.58 118.35 2pwm h GLU 75 Ca 0.28 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2pwm h GLU 75 Cb 0.01 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2pwm h GLU 75 CO -0.05 0.89 0.25 0.93 -0.73 0.00 0.00 179.01 180.31 2pwm h GLU 76 N 0.65 1.18 -0.59 1.92 4.39 -0.99 -1.07 114.58 120.07 2pwm h GLU 76 Ca 0.12 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 2pwm h GLU 76 Cb 0.55 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2pwm h GLU 76 CO 0.03 0.99 0.12 0.00 -1.16 0.00 0.00 179.01 178.99 2pwm h ALA 77 N 1.14 0.77 -0.25 3.43 0.00 -0.85 0.12 119.26 123.61 2pwm h ALA 77 Ca 0.25 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2pwm h ALA 77 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2pwm h ALA 77 CO -0.01 0.50 -0.48 0.00 0.00 0.00 0.00 179.25 179.26 2pwm h ALA 78 N 1.02 0.68 -0.60 0.00 0.00 -1.18 -2.80 119.26 116.37 2pwm h ALA 78 Ca 0.18 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2pwm h ALA 78 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2pwm h ALA 78 CO 0.01 0.67 0.05 0.93 0.00 0.00 0.00 179.25 180.91 2pwm h GLU 79 N 0.54 1.03 -0.45 0.00 4.39 -1.01 -2.78 114.58 116.30 2pwm h GLU 79 Ca 0.03 -0.30 0.09 0.00 0.34 0.00 0.00 59.36 59.51 2pwm h GLU 79 Cb 1.03 -0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 29.49 2pwm h GLU 79 CO 0.10 0.99 -0.12 2.35 -1.16 0.00 0.00 179.01 181.17 2pwm h TRP 80 N 0.94 -0.26 -0.67 4.33 2.91 -0.58 -1.02 115.95 121.59 2pwm h TRP 80 Ca 0.18 0.04 0.07 0.00 1.13 0.00 0.00 58.89 60.31 2pwm h TRP 80 Cb 0.49 0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 29.27 2pwm h TRP 80 CO 0.04 -0.20 0.35 -0.44 -1.03 0.00 0.00 178.44 177.15 2pwm h ASP 81 N -0.01 0.48 -0.34 2.65 3.32 -1.31 0.59 116.42 121.79 2pwm h ASP 81 Ca 0.22 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 2pwm h ASP 81 Cb 0.34 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2pwm h ASP 81 CO -0.47 0.30 -0.20 -0.09 -1.72 0.00 0.00 179.24 177.06 2pwm h ARG 82 N 0.62 0.82 -0.00 3.56 2.43 -1.07 -2.79 114.38 117.95 2pwm h ARG 82 Ca 0.31 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2pwm h ARG 82 Cb 0.27 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2pwm h ARG 82 CO -0.22 0.95 -0.11 1.28 -1.51 0.00 0.00 179.97 180.35 2pwm n LEU 83 N -4.12 0.14 -3.25 3.80 4.77 -0.47 -4.34 117.00 113.52 2pwm n LEU 83 Ca 0.00 0.35 -0.25 0.00 -0.03 0.00 0.00 56.01 56.09 2pwm n LEU 83 Cb 0.43 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 2pwm n LEU 83 CO 0.45 0.03 -0.11 1.41 -1.33 0.00 0.00 177.39 177.84 2pwm n HIS 84 N -1.46 1.63 -1.76 -1.77 8.25 0.16 -5.08 115.22 115.20 2pwm n HIS 84 Ca 0.08 -3.86 -0.39 0.00 -0.26 0.00 0.00 57.72 53.29 2pwm n HIS 84 Cb 0.33 -0.45 0.04 0.00 1.12 0.00 0.00 29.99 31.02 2pwm n HIS 84 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2pwm s PRO 85 N -2.02 3.29 0.19 -0.41 0.02 -1.21 -4.78 135.00 130.08 2pwm s PRO 85 Ca 0.39 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.76 2pwm s PRO 85 Cb 0.19 -2.38 -0.05 0.00 0.02 0.00 0.00 34.50 32.28 2pwm s PRO 85 CO -0.07 -1.10 -0.03 0.14 -0.33 0.00 0.00 177.00 175.61 2pwm s VAL 86 N -1.26 0.97 -0.01 3.83 -7.23 -1.26 -5.14 120.40 110.29 2pwm s VAL 86 Ca 0.68 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.77 2pwm s VAL 86 Cb -0.42 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 2pwm s VAL 86 CO 0.51 -0.48 0.50 0.45 -0.31 0.00 0.00 175.10 175.78 2pwm h HIS 87 N 2.61 -0.18 0.00 2.82 3.86 -2.02 -3.55 115.15 118.69 2pwm h HIS 87 Ca -0.37 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2pwm h HIS 87 Cb 1.21 0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.74 2pwm h HIS 87 CO 0.58 -0.11 0.00 -0.12 0.86 0.00 0.00 177.93 179.14 2pwm n MET 96 N -3.10 0.00 -1.74 2.45 0.00 -1.26 -5.13 117.12 108.33 2pwm n MET 96 Ca -0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.70 57.29 2pwm n MET 96 Cb 0.08 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.34 2pwm n MET 96 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2pwm n ARG 97 N 0.00 1.74 -2.26 2.12 1.85 -1.26 -5.00 116.66 113.85 2pwm n ARG 97 Ca 0.00 0.64 -0.37 0.00 -1.00 0.00 0.00 57.85 57.11 2pwm n ARG 97 Cb 0.00 -2.58 -0.01 0.00 -1.05 0.00 0.00 32.46 28.82 2pwm n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2pwm s GLU 98 N -2.84 3.85 0.38 2.89 0.41 -1.26 -5.00 118.70 117.12 2pwm s GLU 98 Ca 0.71 1.81 -0.25 0.00 -0.41 0.00 0.00 54.97 56.83 2pwm s GLU 98 Cb -0.42 -2.50 -0.09 0.00 -1.78 0.00 0.00 34.13 29.34 2pwm s GLU 98 CO 0.50 -0.49 1.07 -1.25 -0.49 0.00 0.00 175.26 174.60 2pwm s PRO 99 N -2.56 4.23 0.57 0.39 0.04 -1.26 -5.06 135.00 131.34 2pwm s PRO 99 Ca 0.61 1.60 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2pwm s PRO 99 Cb -0.30 -2.66 0.05 0.00 0.04 0.00 0.00 34.50 31.63 2pwm s PRO 99 CO 0.37 -0.11 0.80 1.03 0.04 0.00 0.00 177.00 179.12 2pwm s ARG 100 N -2.30 2.40 0.21 4.56 1.81 -1.26 -4.93 118.95 119.45 2pwm s ARG 100 Ca 0.56 -0.93 -0.10 0.00 -1.72 0.00 0.00 55.73 53.54 2pwm s ARG 100 Cb -0.25 -2.49 0.30 0.00 -0.45 0.00 0.00 34.95 32.06 2pwm s ARG 100 CO 0.31 -0.81 1.69 0.78 -0.68 0.00 0.00 175.30 176.59 2pwm h GLY 101 N 0.02 0.74 2.00 -3.53 0.00 -1.93 -0.27 103.07 100.10 2pwm h GLY 101 Ca -0.40 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2pwm h GLY 101 CO 0.49 -0.14 0.00 1.48 0.00 0.00 0.00 176.54 178.36 2pwm h SER 102 N 0.21 0.00 0.12 0.19 4.64 -1.96 -1.05 113.55 115.70 2pwm h SER 102 Ca 0.32 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.37 2pwm h SER 102 Cb 0.49 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.61 2pwm h SER 102 CO -0.44 0.00 -1.12 0.44 -0.87 0.00 0.00 176.83 174.83 2pwm h ASP 103 N 0.00 0.78 -0.68 4.97 3.32 -1.44 -0.40 116.42 122.98 2pwm h ASP 103 Ca 0.00 -0.84 -0.02 0.00 0.02 0.00 0.00 57.03 56.19 2pwm h ASP 103 Cb 0.42 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 2pwm h ASP 103 CO 0.00 1.54 0.36 0.40 -1.72 0.00 0.00 179.24 179.82 2pwm h ILE 104 N 0.13 1.22 -0.00 0.35 2.04 -0.77 -2.57 117.51 117.90 2pwm h ILE 104 Ca -0.17 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2pwm h ILE 104 Cb 1.82 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2pwm h ILE 104 CO 0.21 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.61 2pwm n ALA 105 N -2.43 2.66 -0.78 1.87 0.00 -0.45 -4.62 120.51 116.75 2pwm n ALA 105 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2pwm n ALA 105 Cb 0.12 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 0.95 0.76 0.10 0.00 0.00 -0.97 -4.91 105.19 101.12 2pwm n GLY 106 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 0.51 -0.00 2.61 1.35 -1.32 -3.38 112.91 112.68 2pwm h THR 107 Ca 0.00 -1.98 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 2pwm h THR 107 Cb 0.00 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2pwm h THR 107 CO 0.00 0.29 -0.11 0.35 -0.25 0.00 0.00 175.52 175.80 2pwm n THR 108 N -2.91 0.00 -4.10 6.82 -2.24 -0.86 -5.02 114.28 105.97 2pwm n THR 108 Ca -0.08 -0.45 -0.32 0.00 -2.27 0.00 0.00 64.05 60.93 2pwm n THR 108 Cb 0.82 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 -0.93 5.59 0.58 3.42 1.04 -1.26 -4.90 113.70 117.23 2pwm s SER 109 Ca 0.05 0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.47 2pwm s SER 109 Cb 0.04 -1.56 -0.03 0.00 0.10 0.00 0.00 66.02 64.57 2pwm s SER 109 CO 0.13 0.24 0.94 0.42 0.98 0.00 0.00 173.24 175.96 2pwm s THR 110 N -1.25 4.60 0.23 2.02 -4.23 -1.26 -4.89 115.64 110.86 2pwm s THR 110 Ca 0.25 0.55 -0.06 0.00 -1.18 0.00 0.00 61.69 61.24 2pwm s THR 110 Cb -0.12 -3.81 0.18 0.00 1.34 0.00 0.00 72.50 70.10 2pwm s THR 110 CO 0.16 -0.95 1.75 0.25 -0.54 0.00 0.00 174.62 175.29 2pwm h LEU 111 N -0.15 0.34 -0.82 4.79 5.85 -1.99 -2.05 115.31 121.27 2pwm h LEU 111 Ca -0.45 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 2pwm h LEU 111 Cb 1.21 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 2pwm h LEU 111 CO 0.62 0.17 0.38 -0.61 -0.34 0.00 0.00 178.44 178.66 2pwm h GLN 112 N 0.50 1.19 -0.79 1.25 4.15 -1.99 -1.87 115.11 117.54 2pwm h GLN 112 Ca 0.37 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 2pwm h GLN 112 Cb 0.47 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 2pwm h GLN 112 CO -0.33 0.92 0.33 0.93 -1.93 0.00 0.00 178.83 178.75 2pwm h GLU 113 N 1.17 1.17 -0.13 1.69 5.08 -1.87 -0.54 114.58 121.15 2pwm h GLU 113 Ca 0.28 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2pwm h GLU 113 Cb 0.14 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2pwm h GLU 113 CO -0.03 0.94 0.08 1.96 -1.00 0.00 0.00 179.01 180.95 2pwm h GLN 114 N 1.14 0.17 -0.85 2.33 4.20 -1.07 -1.33 115.11 119.71 2pwm h GLN 114 Ca 0.26 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 2pwm h GLN 114 Cb 0.19 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 2pwm h GLN 114 CO -0.02 0.16 0.47 0.82 -0.67 0.00 0.00 178.83 179.58 2pwm h ILE 115 N 0.14 1.25 -0.93 2.54 2.04 -1.29 -1.10 117.51 120.15 2pwm h ILE 115 Ca 0.05 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.33 2pwm h ILE 115 Cb 0.03 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.16 2pwm h ILE 115 CO -0.01 0.28 0.61 1.23 0.00 0.00 0.00 178.15 180.26 2pwm h GLY 116 N 1.18 1.34 0.50 5.37 0.00 -0.80 -1.15 103.07 109.51 2pwm h GLY 116 Ca 0.30 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2pwm h GLY 116 CO -0.05 0.40 -0.02 1.49 0.00 0.00 0.00 176.54 178.36 2pwm h TRP 117 N 1.17 0.05 -0.22 5.60 6.55 -1.03 -1.86 115.95 126.22 2pwm h TRP 117 Ca 0.37 -0.02 0.06 0.00 0.95 0.00 0.00 58.89 60.25 2pwm h TRP 117 Cb 0.01 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 2pwm h TRP 117 CO -0.00 0.57 0.18 0.52 -1.05 0.00 0.00 178.44 178.66 2pwm h MET 118 N -0.47 0.00 -0.18 0.49 2.86 -0.94 -0.38 114.93 116.30 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 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2pwm h MET 118 CO 0.01 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.23 2pwm n THR 119 N -4.20 0.87 -1.42 2.22 -2.24 -0.46 -4.60 114.28 104.45 2pwm n THR 119 Ca 0.02 -0.94 -0.33 0.00 -2.27 0.00 0.00 64.05 60.53 2pwm n THR 119 Cb 0.32 0.58 0.09 0.00 -2.10 0.00 0.00 70.33 69.23 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 2.16 -0.41 4.78 5.04 -0.70 -4.89 115.29 120.32 2pwm s HIS 120 Ca 0.13 1.61 -0.05 0.00 -1.54 0.00 0.00 55.06 55.21 2pwm s HIS 120 Cb 0.07 -3.37 0.10 0.00 0.04 0.00 0.00 32.58 29.42 2pwm s HIS 120 CO 0.09 -2.38 0.22 1.21 -2.34 0.00 0.00 174.74 171.55 2pwm s ASN 121 N -2.29 5.39 0.55 9.88 2.47 -1.26 -0.41 114.94 129.26 2pwm s ASN 121 Ca 0.71 -1.82 -0.04 0.00 0.42 0.00 0.00 52.86 52.13 2pwm s ASN 121 Cb -0.26 -1.89 0.01 0.00 -1.45 0.00 0.00 41.25 37.66 2pwm s ASN 121 CO 0.46 -0.54 0.84 -2.16 -3.72 0.00 0.00 177.10 171.97 2pwm s PRO 122 N 1.25 2.93 0.54 0.43 0.05 -1.26 -5.12 135.00 133.82 2pwm s PRO 122 Ca 0.05 -0.17 -0.21 0.00 0.05 0.00 0.00 61.00 60.72 2pwm s PRO 122 Cb -0.23 -2.36 -0.05 0.00 0.05 0.00 0.00 34.50 31.91 2pwm s PRO 122 CO -0.02 -0.60 1.25 -2.14 0.05 0.00 0.00 177.00 175.55 2pwm s PRO 123 N -4.87 3.25 -0.51 0.56 0.02 0.45 -4.98 135.00 128.92 2pwm s PRO 123 Ca 0.53 1.97 -0.04 0.00 0.02 0.00 0.00 61.00 63.48 2pwm s PRO 123 Cb -0.10 -2.19 0.13 0.00 0.02 0.00 0.00 34.50 32.36 2pwm s PRO 123 CO 0.43 -1.02 0.33 0.42 -0.33 0.00 0.00 177.00 176.82 2pwm s ILE 124 N -1.46 3.61 -1.45 2.83 1.01 -0.19 -4.98 121.20 120.56 2pwm s ILE 124 Ca 0.71 -2.40 -0.13 0.00 0.00 0.00 0.00 60.65 58.83 2pwm s ILE 124 Cb -0.34 -3.40 0.04 0.00 0.01 0.00 0.00 42.46 38.77 2pwm s ILE 124 CO 0.39 -0.78 2.24 -0.81 0.00 0.00 0.00 174.94 175.98 2pwm n PRO 125 N 4.17 2.98 -0.04 2.79 -0.04 -1.26 -3.19 135.00 140.40 2pwm n PRO 125 Ca 0.02 -2.66 0.13 0.00 -0.04 0.00 0.00 63.50 60.94 2pwm n PRO 125 Cb 0.40 -3.22 0.55 0.00 -0.04 0.00 0.00 33.50 31.18 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 3.91 0.88 -0.12 0.52 -1.51 -1.90 -0.76 116.25 117.27 2pwm h VAL 126 Ca 0.57 -0.10 -0.06 0.00 -1.23 0.00 0.00 66.70 65.88 2pwm h VAL 126 Cb 0.62 0.55 -0.00 0.00 -2.13 0.00 0.00 31.29 30.33 2pwm h VAL 126 CO 1.86 0.06 -0.17 1.23 -1.23 0.00 0.00 177.57 179.31 2pwm h GLY 127 N 0.30 0.36 1.14 5.19 0.00 -1.86 -1.43 103.07 106.77 2pwm h GLY 127 Ca 0.25 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2pwm h GLY 127 CO -0.06 0.35 0.47 0.83 0.00 0.00 0.00 176.54 178.14 2pwm h GLU 128 N -0.08 1.14 0.13 4.80 4.39 -1.68 0.21 114.58 123.49 2pwm h GLU 128 Ca 0.01 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2pwm h GLU 128 Cb 0.72 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2pwm h GLU 128 CO 0.04 0.82 -0.06 0.82 -1.16 0.00 0.00 179.01 179.47 2pwm h ILE 129 N 1.15 0.98 -0.98 3.13 2.04 -1.13 -1.36 117.51 121.33 2pwm h ILE 129 Ca 0.29 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.76 2pwm h ILE 129 Cb -0.00 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 2pwm h ILE 129 CO -0.05 0.10 0.64 0.22 0.00 0.00 0.00 178.15 179.06 2pwm h TYR 130 N -0.38 1.19 -0.84 1.37 3.20 -0.99 -1.96 116.97 118.56 2pwm h TYR 130 Ca -0.02 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2pwm h TYR 130 Cb 0.30 -0.40 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 2pwm h TYR 130 CO -0.01 0.67 0.53 0.87 -1.64 0.00 0.00 178.16 178.59 2pwm h LYS 131 N 1.22 0.99 -0.30 1.82 1.57 -0.40 -0.01 116.57 121.46 2pwm h LYS 131 Ca 0.40 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.13 2pwm h LYS 131 Cb 0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2pwm h LYS 131 CO -0.14 0.65 0.19 -0.09 -0.57 0.00 0.00 179.45 179.50 2pwm h ARG 132 N 1.02 0.38 -0.66 3.15 2.43 -0.51 0.43 114.38 120.62 2pwm h ARG 132 Ca 0.35 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 2pwm h ARG 132 Cb 0.07 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2pwm h ARG 132 CO -0.14 0.25 0.39 -1.49 -1.51 0.00 0.00 179.97 177.48 2pwm h TRP 133 N 0.39 0.88 -0.58 2.20 6.55 -0.86 -1.17 115.95 123.37 2pwm h TRP 133 Ca 0.11 -0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.99 2pwm h TRP 133 Cb -0.03 -0.29 -0.04 0.00 -0.86 0.00 0.00 29.16 27.94 2pwm h TRP 133 CO -0.06 0.61 0.32 0.82 -1.05 0.00 0.00 178.44 179.07 2pwm h ILE 134 N 0.90 1.00 -0.46 1.49 2.04 -0.67 -1.58 117.51 120.22 2pwm h ILE 134 Ca 0.24 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 2pwm h ILE 134 Cb -0.01 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 2pwm h ILE 134 CO -0.04 0.11 0.16 0.40 0.00 0.00 0.00 178.15 178.78 2pwm h ILE 135 N 0.62 1.22 -0.61 -0.67 2.04 -0.68 0.17 117.51 119.59 2pwm h ILE 135 Ca 0.25 -0.70 0.13 0.00 1.00 0.00 0.00 64.86 65.54 2pwm h ILE 135 Cb 0.11 0.81 -0.11 0.00 -0.74 0.00 0.00 36.82 36.89 2pwm h ILE 135 CO -0.14 0.25 -0.07 0.25 0.00 0.00 0.00 178.15 178.44 2pwm h LEU 136 N 0.60 -0.42 -0.65 1.44 5.85 -1.02 0.20 115.31 121.32 2pwm h LEU 136 Ca 0.15 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.98 2pwm h LEU 136 Cb 0.23 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2pwm h LEU 136 CO -0.01 -0.16 0.18 1.23 -0.34 0.00 0.00 178.44 179.34 2pwm h GLY 137 N 0.06 1.11 1.05 3.75 0.00 -0.44 -2.58 103.07 106.02 2pwm h GLY 137 Ca 0.31 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2pwm h GLY 137 CO -0.58 0.64 0.35 1.41 0.00 0.00 0.00 176.54 178.36 2pwm h LEU 138 N 0.96 1.11 -1.61 3.11 3.38 0.02 -1.17 115.31 121.12 2pwm h LEU 138 Ca 0.21 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2pwm h LEU 138 Cb 0.34 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2pwm h LEU 138 CO -0.00 0.96 -0.18 0.78 0.09 0.00 0.00 178.44 180.10 2pwm h ASN 139 N 1.18 0.03 -0.19 -0.43 2.35 -0.46 -0.40 115.58 117.67 2pwm h ASN 139 Ca 0.28 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.94 2pwm h ASN 139 Cb 0.18 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 2pwm h ASN 139 CO -0.03 0.21 -0.22 0.11 -1.65 0.00 0.00 177.43 175.85 2pwm h LYS 140 N 0.03 0.48 -0.21 0.81 1.57 -0.98 -3.31 116.57 114.95 2pwm h LYS 140 Ca 0.00 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 2pwm h LYS 140 Cb 0.33 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2pwm h LYS 140 CO 0.02 0.85 -0.25 0.82 -0.57 0.00 0.00 179.45 180.32 2pwm h ILE 141 N 0.14 1.26 -0.79 1.86 2.04 -0.74 -2.63 117.51 118.64 2pwm h ILE 141 Ca 0.03 -1.22 0.21 0.00 1.00 0.00 0.00 64.86 64.87 2pwm h ILE 141 Cb 0.77 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 2pwm h ILE 141 CO 0.05 0.38 0.55 0.58 0.00 0.00 0.00 178.15 179.72 2pwm h VAL 142 N 0.35 0.65 0.00 1.67 2.07 -1.17 0.15 116.25 119.97 2pwm h VAL 142 Ca 0.05 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2pwm h VAL 142 Cb 0.64 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2pwm h VAL 142 CO 0.05 0.02 -0.12 0.03 0.02 0.00 0.00 177.57 177.57 2pwm h ARG 143 N 0.12 0.00 0.00 1.57 3.08 -1.64 -1.34 114.38 116.18 2pwm h ARG 143 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 2pwm h ARG 143 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2pwm h ARG 143 CO -0.05 0.12 0.00 -1.33 -1.07 0.00 0.00 179.97 177.63 2pwm n MET 144 N -3.61 0.16 0.00 0.04 2.81 0.53 -5.20 117.12 111.85 2pwm n MET 144 Ca -0.02 0.31 0.01 0.00 -1.81 0.00 0.00 57.70 56.19 2pwm n MET 144 Cb 0.24 -1.76 0.01 0.00 -0.71 0.00 0.00 33.22 31.00 2pwm n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14