#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 1.68 0.12 0.52 1.01 -1.26 -1.40 121.20 121.88 2pwm s ILE 2 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 2pwm s ILE 2 Cb 0.00 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 2pwm s ILE 2 CO 0.00 0.48 0.02 0.54 0.00 0.00 0.00 174.94 175.98 2pwm s VAL 3 N 0.05 0.28 -0.26 2.92 0.11 0.11 -4.92 120.40 118.69 2pwm s VAL 3 Ca -0.06 -1.91 -0.21 0.00 -2.93 0.00 0.00 61.98 56.87 2pwm s VAL 3 Cb -0.13 -1.95 -0.02 0.00 -1.53 0.00 0.00 36.38 32.75 2pwm s VAL 3 CO 0.04 -0.58 0.65 0.00 -3.33 0.00 0.00 175.10 171.87 2pwm s GLN 4 N -3.99 4.10 0.95 1.54 1.03 -1.26 -0.20 119.66 121.83 2pwm s GLN 4 Ca 0.21 0.56 -0.15 0.00 0.04 0.00 0.00 55.36 56.01 2pwm s GLN 4 Cb 0.07 -3.66 0.18 0.00 0.03 0.00 0.00 33.01 29.63 2pwm s GLN 4 CO -0.00 -0.44 1.24 0.54 -2.54 0.00 0.00 175.29 174.09 2pwm s ASN 5 N 1.48 3.18 0.46 12.60 2.20 -0.11 -4.91 114.94 129.84 2pwm s ASN 5 Ca 0.27 0.53 0.31 0.00 -0.94 0.00 0.00 52.86 53.03 2pwm s ASN 5 Cb -0.15 -0.77 1.65 0.00 -2.00 0.00 0.00 41.25 39.98 2pwm s ASN 5 CO 0.09 -2.71 1.95 -0.07 -2.94 0.00 0.00 177.10 173.41 2pwm h LEU 6 N -1.62 0.00 -0.42 3.54 3.38 -1.98 -1.25 115.31 116.95 2pwm h LEU 6 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2pwm h LEU 6 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2pwm h LEU 6 CO 0.47 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.75 2pwm n GLN 7 N -2.61 0.75 -0.53 1.13 3.00 -1.26 -4.94 117.38 112.91 2pwm n GLN 7 Ca -0.02 -0.42 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 2pwm n GLN 7 Cb 0.08 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.82 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 1.35 0.73 3.91 1.08 0.00 -0.47 -5.07 105.19 106.71 2pwm n GLY 8 Ca 0.12 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.50 3.59 -0.28 1.61 -1.52 -1.26 -4.84 119.66 116.46 2pwm s GLN 9 Ca 0.00 -0.15 -0.24 0.00 -1.95 0.00 0.00 55.36 53.03 2pwm s GLN 9 Cb 0.00 -2.78 -0.00 0.00 -0.22 0.00 0.00 33.01 30.01 2pwm s GLN 9 CO 0.00 0.36 0.80 -1.64 -0.25 0.00 0.00 175.29 174.56 2pwm s MET 10 N -3.18 4.05 0.12 2.91 -1.94 -1.26 -0.93 119.30 119.07 2pwm s MET 10 Ca 0.41 0.73 0.03 0.00 -1.71 0.00 0.00 55.69 55.15 2pwm s MET 10 Cb -0.11 -3.69 -0.04 0.00 2.01 0.00 0.00 34.83 32.99 2pwm s MET 10 CO 0.28 -0.61 -0.09 0.14 -0.01 0.00 0.00 175.02 174.72 2pwm s VAL 11 N 2.91 0.97 0.22 -6.03 -7.23 0.71 -4.93 120.40 107.02 2pwm s VAL 11 Ca 0.33 -1.88 -0.28 0.00 -1.81 0.00 0.00 61.98 58.34 2pwm s VAL 11 Cb -0.15 -1.63 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 2pwm s VAL 11 CO 0.11 -0.71 0.88 -2.28 -0.31 0.00 0.00 175.10 172.78 2pwm s HIS 12 N -3.09 3.95 -0.11 2.82 2.46 -1.26 0.04 115.29 120.09 2pwm s HIS 12 Ca 0.11 1.80 0.03 0.00 0.47 0.00 0.00 55.06 57.48 2pwm s HIS 12 Cb 0.01 -2.90 0.00 0.00 -0.13 0.00 0.00 32.58 29.57 2pwm s HIS 12 CO -0.01 0.47 -0.22 -1.14 -2.47 0.00 0.00 174.74 171.37 2pwm s GLN 13 N -1.21 2.89 0.45 2.88 0.74 -0.49 -4.85 119.66 120.07 2pwm s GLN 13 Ca 0.39 -0.82 -0.24 0.00 0.05 0.00 0.00 55.36 54.74 2pwm s GLN 13 Cb -0.25 -2.25 -0.09 0.00 1.10 0.00 0.00 33.01 31.53 2pwm s GLN 13 CO 0.29 0.10 1.22 0.00 -0.55 0.00 0.00 175.29 176.35 2pwm n ALA 14 N 3.74 1.07 -1.60 1.58 0.00 -1.26 0.27 120.51 124.32 2pwm n ALA 14 Ca -0.20 0.22 -0.49 0.00 0.00 0.00 0.00 53.44 52.98 2pwm n ALA 14 Cb 0.52 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 2pwm n ALA 14 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2pwm n ILE 15 N -0.49 0.64 -2.20 0.00 3.06 -1.26 -4.49 119.36 114.63 2pwm n ILE 15 Ca 0.08 -0.16 -0.33 0.00 -2.50 0.00 0.00 62.75 59.84 2pwm n ILE 15 Cb 0.41 -0.99 -0.00 0.00 0.54 0.00 0.00 39.64 39.60 2pwm n ILE 15 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2pwm s SER 16 N 0.21 5.89 0.33 9.51 1.04 -1.26 -4.86 113.70 124.56 2pwm s SER 16 Ca 0.75 1.91 0.12 0.00 0.48 0.00 0.00 55.95 59.21 2pwm s SER 16 Cb -0.83 -2.55 0.96 0.00 0.10 0.00 0.00 66.02 63.70 2pwm s SER 16 CO 0.50 -1.10 1.71 -0.65 0.98 0.00 0.00 173.24 174.68 2pwm h PRO 17 N 0.84 0.48 -0.37 4.02 0.11 -1.99 -0.70 132.00 134.39 2pwm h PRO 17 Ca -0.48 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 2pwm h PRO 17 Cb 1.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2pwm h PRO 17 CO 0.58 0.32 -0.31 0.00 -0.21 0.00 0.00 178.00 178.37 2pwm h ARG 18 N 0.49 0.81 -0.15 1.05 3.08 -1.99 -0.18 114.38 117.49 2pwm h ARG 18 Ca 0.67 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 2pwm h ARG 18 Cb 1.38 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 2pwm h ARG 18 CO -0.51 1.00 -0.12 1.15 -1.07 0.00 0.00 179.97 180.43 2pwm h THR 19 N 0.68 1.34 -0.42 2.04 2.02 -1.55 -1.95 112.91 115.06 2pwm h THR 19 Ca 0.08 -1.24 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 2pwm h THR 19 Cb 0.85 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 2pwm h THR 19 CO 0.07 0.37 0.15 -0.07 0.37 0.00 0.00 175.52 176.41 2pwm h LEU 20 N -0.02 0.60 -0.42 2.58 3.38 -1.06 -1.13 115.31 119.24 2pwm h LEU 20 Ca 0.03 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2pwm h LEU 20 Cb 0.63 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2pwm h LEU 20 CO 0.03 0.62 -0.03 -1.13 0.09 0.00 0.00 178.44 178.02 2pwm h ASN 21 N 0.54 -0.25 -0.70 -0.43 -0.00 -0.94 -0.94 115.58 112.86 2pwm h ASN 21 Ca 0.14 0.11 -0.07 0.00 -0.00 0.00 0.00 56.30 56.47 2pwm h ASN 21 Cb 0.23 0.20 -0.03 0.00 -0.00 0.00 0.00 38.32 38.72 2pwm h ASN 21 CO -0.01 -0.08 0.16 0.00 -0.00 0.00 0.00 177.43 177.50 2pwm h ALA 22 N 1.39 0.95 -0.34 1.57 0.00 -1.10 -1.66 119.26 120.07 2pwm h ALA 22 Ca 0.21 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pwm h ALA 22 Cb 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2pwm h ALA 22 CO -0.38 0.67 0.20 2.35 0.00 0.00 0.00 179.25 182.09 2pwm h TRP 23 N 1.07 0.37 -0.84 0.00 -0.00 -0.85 0.17 115.95 115.87 2pwm h TRP 23 Ca 0.22 0.01 0.01 0.00 -0.00 0.00 0.00 58.89 59.13 2pwm h TRP 23 Cb 0.39 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.16 29.39 2pwm h TRP 23 CO 0.03 0.21 0.56 0.28 -0.00 0.00 0.00 178.44 179.53 2pwm h VAL 24 N 0.40 1.22 -0.63 2.65 2.07 -1.09 -0.79 116.25 120.07 2pwm h VAL 24 Ca 0.13 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 2pwm h VAL 24 Cb 0.01 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 2pwm h VAL 24 CO -0.06 0.21 0.04 0.11 0.02 0.00 0.00 177.57 177.88 2pwm h LYS 25 N 1.14 1.09 -0.24 1.57 1.57 -1.00 0.17 116.57 120.88 2pwm h LYS 25 Ca 0.31 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2pwm h LYS 25 Cb -0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2pwm h LYS 25 CO -0.07 1.04 0.14 0.28 -0.57 0.00 0.00 179.45 180.27 2pwm h VAL 26 N 1.00 1.10 -0.49 0.50 2.07 -0.66 -1.67 116.25 118.10 2pwm h VAL 26 Ca 0.18 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 2pwm h VAL 26 Cb 0.52 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2pwm h VAL 26 CO 0.03 0.09 -0.10 0.58 0.02 0.00 0.00 177.57 178.19 2pwm h VAL 27 N 0.29 1.26 -0.85 2.57 2.07 -0.96 0.44 116.25 121.07 2pwm h VAL 27 Ca 0.08 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.41 2pwm h VAL 27 Cb 0.03 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2pwm h VAL 27 CO -0.02 0.42 0.56 -0.33 0.02 0.00 0.00 177.57 178.22 2pwm h GLU 28 N 0.81 1.12 0.08 1.57 4.39 -0.48 -1.14 114.58 120.94 2pwm h GLU 28 Ca 0.13 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.60 2pwm h GLU 28 Cb 0.62 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2pwm h GLU 28 CO 0.04 0.74 -0.80 1.49 -1.16 0.00 0.00 179.01 179.32 2pwm h GLU 29 N 1.15 0.18 -0.01 2.33 4.81 -1.02 -3.40 114.58 118.62 2pwm h GLU 29 Ca 0.31 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pwm h GLU 29 Cb -0.13 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2pwm h GLU 29 CO -0.07 1.15 -0.50 1.63 -0.73 0.00 0.00 179.01 180.49 2pwm n LYS 30 N -4.23 1.36 0.00 1.92 4.76 0.15 -5.04 118.16 117.07 2pwm n LYS 30 Ca -0.17 -0.71 0.00 0.00 -2.87 0.00 0.00 58.31 54.56 2pwm n LYS 30 Cb 0.74 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 2pwm n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pwm n ALA 31 N -0.37 0.00 -1.73 7.82 0.00 -0.43 -1.00 120.51 124.81 2pwm n ALA 31 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.28 2pwm n ALA 31 Cb 0.38 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.90 2pwm n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2pwm n PHE 32 N 14.00 2.54 -0.89 0.00 3.72 -1.26 -4.69 117.46 130.88 2pwm n PHE 32 Ca 0.00 -2.32 -0.30 0.00 -0.05 0.00 0.00 57.45 54.78 2pwm n PHE 32 Cb 0.00 -0.67 0.15 0.00 -0.94 0.00 0.00 39.48 38.03 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 -2.93 3.14 0.36 4.37 1.04 -0.17 -4.06 113.70 115.45 2pwm s SER 33 Ca 0.53 1.92 0.15 0.00 0.48 0.00 0.00 55.95 59.03 2pwm s SER 33 Cb 0.44 -2.47 1.04 0.00 0.10 0.00 0.00 66.02 65.13 2pwm s SER 33 CO 0.02 -2.92 1.73 -0.65 0.98 0.00 0.00 173.24 172.40 2pwm h PRO 34 N -1.74 0.42 0.00 4.02 0.11 -1.83 -0.57 132.00 132.41 2pwm h PRO 34 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pwm h PRO 34 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2pwm h PRO 34 CO 0.47 0.28 0.00 0.93 -0.21 0.00 0.00 178.00 179.47 2pwm h GLU 35 N 0.44 0.00 -0.32 1.05 5.08 -1.92 -2.01 114.58 116.90 2pwm h GLU 35 Ca 0.65 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.93 2pwm h GLU 35 Cb 1.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 2pwm h GLU 35 CO -0.41 0.00 -0.13 -0.24 -1.00 0.00 0.00 179.01 177.23 2pwm h VAL 36 N 0.00 1.24 0.22 3.13 3.04 -1.39 -3.32 116.25 119.17 2pwm h VAL 36 Ca 0.00 -1.08 0.01 0.00 -1.01 0.00 0.00 66.70 64.62 2pwm h VAL 36 Cb 0.19 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 30.59 2pwm h VAL 36 CO 0.00 0.36 -0.26 0.40 -1.01 0.00 0.00 177.57 177.06 2pwm h ILE 37 N 0.51 0.45 -0.89 3.17 5.03 -1.54 0.23 117.51 124.47 2pwm h ILE 37 Ca 0.09 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.93 2pwm h ILE 37 Cb 0.53 0.45 -0.07 0.00 -3.03 0.00 0.00 36.82 34.70 2pwm h ILE 37 CO 0.03 0.00 0.58 -0.65 -0.68 0.00 0.00 178.15 177.43 2pwm h PRO 38 N -0.52 0.85 0.01 2.37 0.10 -1.76 0.86 132.00 133.90 2pwm h PRO 38 Ca 0.00 -0.05 -0.00 0.00 0.10 0.00 0.00 66.00 66.05 2pwm h PRO 38 Cb 0.50 -0.19 0.00 0.00 0.10 0.00 0.00 31.00 31.41 2pwm h PRO 38 CO -0.08 0.56 -0.00 0.52 0.10 0.00 0.00 178.00 179.10 2pwm h MET 39 N 0.87 -0.01 -0.48 1.05 2.86 -1.57 -1.64 114.93 116.01 2pwm h MET 39 Ca 0.42 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 58.15 2pwm h MET 39 Cb 0.43 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.99 2pwm h MET 39 CO -0.18 0.40 -0.25 0.35 1.06 0.00 0.00 176.91 178.29 2pwm h PHE 40 N -0.42 -0.65 -0.33 -0.22 3.57 -0.16 0.12 116.94 118.84 2pwm h PHE 40 Ca -0.00 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.61 2pwm h PHE 40 Cb 0.41 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 2pwm h PHE 40 CO 0.07 -0.33 -0.01 0.77 -2.23 0.00 0.00 178.31 176.58 2pwm h SER 41 N -0.14 -0.15 -0.15 0.41 0.02 -0.70 -0.59 113.55 112.25 2pwm h SER 41 Ca 0.22 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2pwm h SER 41 Cb 0.49 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2pwm h SER 41 CO -0.57 -0.04 0.01 0.00 -1.14 0.00 0.00 176.83 175.10 2pwm h ALA 42 N 1.29 0.20 0.00 3.77 0.00 -1.08 -3.16 119.26 120.28 2pwm h ALA 42 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2pwm h ALA 42 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2pwm h ALA 42 CO -0.28 -0.12 -0.20 -0.07 0.00 0.00 0.00 179.25 178.58 2pwm h LEU 43 N 0.02 0.00 -1.84 0.00 3.38 -0.51 -2.41 115.31 113.95 2pwm h LEU 43 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pwm h LEU 43 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2pwm h LEU 43 CO 0.01 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 177.20 2pwm n SER 44 N -3.57 2.71 -4.72 -0.43 3.41 -0.25 -4.94 113.62 105.83 2pwm n SER 44 Ca -0.01 -1.93 -0.42 0.00 -0.26 0.00 0.00 58.87 56.25 2pwm n SER 44 Cb 0.35 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 2pwm n SER 44 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2pwm s GLU 45 N -1.45 4.12 0.00 4.33 2.12 -0.91 -1.37 118.70 125.54 2pwm s GLU 45 Ca 0.35 2.62 0.00 0.00 0.36 0.00 0.00 54.97 58.30 2pwm s GLU 45 Cb 0.19 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.51 2pwm s GLU 45 CO 0.26 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 2pwm n GLY 46 N 3.99 0.78 3.76 -1.50 0.00 -1.26 -4.99 105.19 105.97 2pwm n GLY 46 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.12 3.37 0.73 4.61 0.00 -0.47 -4.32 121.76 122.56 2pwm s ALA 47 Ca 0.00 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 2pwm s ALA 47 Cb 0.00 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2pwm s ALA 47 CO 0.00 -0.29 1.11 0.95 0.00 0.00 0.00 175.76 177.53 2pwm s THR 48 N -1.22 3.09 0.34 0.00 -4.23 -1.26 -4.39 115.64 107.97 2pwm s THR 48 Ca 0.48 0.33 0.05 0.00 -1.18 0.00 0.00 61.69 61.37 2pwm s THR 48 Cb -0.32 -3.35 0.30 0.00 1.34 0.00 0.00 72.50 70.47 2pwm s THR 48 CO 0.42 -0.45 1.91 -0.65 -0.54 0.00 0.00 174.62 175.30 2pwm h PRO 49 N -0.74 0.79 -0.22 3.99 0.11 -1.85 -0.28 132.00 133.80 2pwm h PRO 49 Ca -0.45 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.65 2pwm h PRO 49 Cb 1.27 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 2pwm h PRO 49 CO 0.64 0.52 -0.03 0.37 -0.21 0.00 0.00 178.00 179.30 2pwm h GLN 50 N 0.82 0.03 -0.87 1.05 4.15 -1.91 0.03 115.11 118.42 2pwm h GLN 50 Ca 0.39 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.79 2pwm h GLN 50 Cb 0.42 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 2pwm h GLN 50 CO -0.16 0.02 0.45 -0.44 -1.93 0.00 0.00 178.83 176.78 2pwm h ASP 51 N 0.03 1.10 -0.68 -0.69 3.32 -1.75 -2.31 116.42 115.44 2pwm h ASP 51 Ca 0.11 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2pwm h ASP 51 Cb 0.15 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2pwm h ASP 51 CO -0.20 0.90 0.42 -0.07 -1.72 0.00 0.00 179.24 178.57 2pwm h LEU 52 N 1.22 0.81 -1.58 1.55 3.38 -0.75 -1.65 115.31 118.28 2pwm h LEU 52 Ca 0.30 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2pwm h LEU 52 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2pwm h LEU 52 CO -0.04 0.62 -0.17 0.78 0.09 0.00 0.00 178.44 179.72 2pwm h ASN 53 N 0.93 0.05 -0.23 -0.43 -0.26 -0.64 0.16 115.58 115.16 2pwm h ASN 53 Ca 0.25 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.94 2pwm h ASN 53 Cb -0.05 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 2pwm h ASN 53 CO -0.05 0.23 0.00 0.74 -1.06 0.00 0.00 177.43 177.29 2pwm h THR 54 N 0.05 1.25 -0.48 2.81 2.02 -1.04 -1.54 112.91 115.99 2pwm h THR 54 Ca 0.01 -0.89 0.04 0.00 0.77 0.00 0.00 66.41 66.34 2pwm h THR 54 Cb 0.33 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 2pwm h THR 54 CO 0.02 0.28 0.25 0.24 0.37 0.00 0.00 175.52 176.68 2pwm h MET 55 N 0.17 0.49 0.00 6.66 2.86 -0.82 -1.94 114.93 122.34 2pwm h MET 55 Ca 0.06 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2pwm h MET 55 Cb 0.40 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 2pwm h MET 55 CO 0.01 0.32 -0.16 -0.07 1.06 0.00 0.00 176.91 178.07 2pwm h LEU 56 N 0.50 0.00 -3.09 1.22 3.38 -0.87 -2.94 115.31 113.51 2pwm h LEU 56 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2pwm h LEU 56 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2pwm h LEU 56 CO -0.13 0.16 0.00 0.59 0.09 0.00 0.00 178.44 179.15 2pwm n ASN 57 N -3.88 4.74 -0.67 -0.43 4.13 -0.59 -3.99 115.26 114.56 2pwm n ASN 57 Ca -0.02 -2.39 0.07 0.00 1.68 0.00 0.00 54.58 53.93 2pwm n ASN 57 Cb 0.25 -0.58 0.10 0.00 -1.54 0.00 0.00 39.78 38.02 2pwm n ASN 57 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2pwm n THR 58 N 1.25 0.31 -2.66 3.41 -2.24 -0.99 -4.94 114.28 108.41 2pwm n THR 58 Ca 0.26 -0.65 -0.43 0.00 -2.27 0.00 0.00 64.05 60.96 2pwm n THR 58 Cb 0.87 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 70.14 2pwm n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pwm s VAL 59 N -1.16 4.58 -0.25 2.28 1.01 -1.26 -4.93 120.40 120.67 2pwm s VAL 59 Ca 0.21 1.80 -0.22 0.00 0.00 0.00 0.00 61.98 63.78 2pwm s VAL 59 Cb 0.13 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 2pwm s VAL 59 CO 0.19 -0.37 0.69 -0.83 0.00 0.00 0.00 175.10 174.78 2pwm s GLY 60 N 1.51 1.79 0.00 4.51 0.00 -1.26 -4.86 107.32 109.01 2pwm s GLY 60 Ca 0.44 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.81 2pwm s GLY 60 CO 0.12 1.56 0.00 0.61 0.00 0.00 0.00 173.10 175.40 2pwm n GLY 61 N 4.05 -0.11 4.00 0.20 0.00 -1.26 -4.98 105.19 107.10 2pwm n GLY 61 Ca 0.01 -1.04 -0.26 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 4.48 -1.61 -0.16 1.61 -0.00 -1.26 -4.83 115.22 113.45 2pwm n HIS 62 Ca 0.00 0.74 -0.10 0.00 -0.00 0.00 0.00 57.72 58.36 2pwm n HIS 62 Cb 0.00 -3.61 -0.00 0.00 -0.00 0.00 0.00 29.99 26.38 2pwm n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2pwm h GLN 63 N -1.82 0.82 -0.45 -0.41 4.20 -1.95 -0.27 115.11 115.23 2pwm h GLN 63 Ca -0.63 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 57.81 2pwm h GLN 63 Cb 1.38 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 2pwm h GLN 63 CO 0.64 0.87 0.25 0.00 -0.67 0.00 0.00 178.83 179.91 2pwm h ALA 64 N 0.92 0.57 -0.32 3.87 0.00 -1.99 -0.22 119.26 122.09 2pwm h ALA 64 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pwm h ALA 64 Cb 0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2pwm h ALA 64 CO 0.02 0.10 0.15 0.00 0.00 0.00 0.00 179.25 179.52 2pwm h ALA 65 N 1.09 0.41 -0.74 0.00 0.00 -1.93 -1.80 119.26 116.30 2pwm h ALA 65 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pwm h ALA 65 Cb 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2pwm h ALA 65 CO -0.03 -0.01 0.46 0.52 0.00 0.00 0.00 179.25 180.19 2pwm h MET 66 N 0.38 0.99 -0.78 0.00 2.07 -0.59 -0.50 114.93 116.50 2pwm h MET 66 Ca 0.11 -0.07 -0.05 0.00 -2.07 0.00 0.00 59.70 57.62 2pwm h MET 66 Cb 0.14 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 29.62 2pwm h MET 66 CO -0.01 0.68 0.30 0.37 1.07 0.00 0.00 176.91 179.32 2pwm h GLN 67 N 1.01 1.17 -0.50 1.72 5.75 -0.92 -0.89 115.11 122.43 2pwm h GLN 67 Ca 0.27 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 2pwm h GLN 67 Cb -0.07 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.27 2pwm h GLN 67 CO -0.05 0.95 0.11 1.98 -2.65 0.00 0.00 178.83 179.17 2pwm h MET 68 N 1.13 0.77 -0.22 1.69 4.05 -0.66 -1.71 114.93 119.98 2pwm h MET 68 Ca 0.26 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.49 2pwm h MET 68 Cb 0.22 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 2pwm h MET 68 CO -0.02 0.71 0.00 1.25 0.23 0.00 0.00 176.91 179.08 2pwm h LEU 69 N 0.75 0.38 -0.76 3.39 5.85 -0.73 -1.27 115.31 122.93 2pwm h LEU 69 Ca 0.16 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.62 2pwm h LEU 69 Cb 0.30 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2pwm h LEU 69 CO 0.00 0.60 0.47 0.50 -0.34 0.00 0.00 178.44 179.67 2pwm h LYS 70 N 0.16 0.88 -0.64 1.25 3.64 -0.97 0.71 116.57 121.61 2pwm h LYS 70 Ca 0.06 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2pwm h LYS 70 Cb 0.40 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 2pwm h LYS 70 CO 0.01 0.58 0.30 0.93 -2.27 0.00 0.00 179.45 179.00 2pwm h GLU 71 N 0.90 0.51 -0.24 1.90 5.08 -1.19 -0.38 114.58 121.16 2pwm h GLU 71 Ca 0.31 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2pwm h GLU 71 Cb 0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2pwm h GLU 71 CO -0.13 0.34 0.03 1.15 -1.00 0.00 0.00 179.01 179.40 2pwm h THR 72 N 0.53 1.24 -0.57 1.13 2.02 -0.72 -1.73 112.91 114.80 2pwm h THR 72 Ca 0.31 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.70 2pwm h THR 72 Cb 0.31 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 2pwm h THR 72 CO -0.25 0.25 0.37 0.40 0.37 0.00 0.00 175.52 176.66 2pwm h ILE 73 N 0.21 1.11 -0.75 3.11 2.04 -0.60 -0.87 117.51 121.77 2pwm h ILE 73 Ca 0.07 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 2pwm h ILE 73 Cb 0.35 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2pwm h ILE 73 CO 0.01 0.13 0.46 0.78 0.00 0.00 0.00 178.15 179.53 2pwm h ASN 74 N 0.74 0.89 0.51 1.72 2.35 -0.94 0.14 115.58 120.99 2pwm h ASN 74 Ca 0.22 -0.04 -0.24 0.00 -0.55 0.00 0.00 56.30 55.68 2pwm h ASN 74 Cb -0.04 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.10 2pwm h ASN 74 CO -0.07 0.68 -1.06 -0.08 -1.65 0.00 0.00 177.43 175.25 2pwm h GLU 75 N 1.03 0.31 -0.23 0.81 4.57 -0.86 -2.24 114.58 117.96 2pwm h GLU 75 Ca 0.27 -0.40 -0.16 0.00 -1.18 0.00 0.00 59.36 57.89 2pwm h GLU 75 Cb -0.05 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2pwm h GLU 75 CO -0.05 1.13 -0.50 0.93 -1.18 0.00 0.00 179.01 179.33 2pwm h GLU 76 N 0.14 0.65 -0.66 1.92 4.39 -1.00 -1.60 114.58 118.41 2pwm h GLU 76 Ca -0.09 -0.39 -0.07 0.00 0.34 0.00 0.00 59.36 59.14 2pwm h GLU 76 Cb 1.73 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.39 2pwm h GLU 76 CO 0.17 1.00 0.13 0.00 -1.16 0.00 0.00 179.01 179.15 2pwm h ALA 77 N 0.93 0.88 -0.49 3.43 0.00 -0.68 0.15 119.26 123.47 2pwm h ALA 77 Ca 0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2pwm h ALA 77 Cb 1.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2pwm h ALA 77 CO 0.10 0.63 -0.04 0.00 0.00 0.00 0.00 179.25 179.94 2pwm h ALA 78 N 1.05 0.99 -0.04 0.00 0.00 -1.37 -2.30 119.26 117.58 2pwm h ALA 78 Ca 0.20 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2pwm h ALA 78 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2pwm h ALA 78 CO 0.01 0.61 -0.62 0.93 0.00 0.00 0.00 179.25 180.18 2pwm h GLU 79 N 0.79 0.16 -0.08 0.00 4.39 -1.06 -2.06 114.58 116.73 2pwm h GLU 79 Ca 0.14 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2pwm h GLU 79 Cb 0.53 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2pwm h GLU 79 CO 0.03 0.73 0.05 2.35 -1.16 0.00 0.00 179.01 181.01 2pwm h TRP 80 N 0.12 0.10 -0.53 4.33 2.91 -0.74 -0.89 115.95 121.24 2pwm h TRP 80 Ca -0.01 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 2pwm h TRP 80 Cb 1.12 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.71 2pwm h TRP 80 CO 0.02 0.07 0.28 -0.44 -1.03 0.00 0.00 178.44 177.33 2pwm h ASP 81 N 0.10 0.68 -0.48 2.65 3.32 -1.23 -0.94 116.42 120.52 2pwm h ASP 81 Ca 0.03 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 2pwm h ASP 81 Cb -0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2pwm h ASP 81 CO -0.01 0.60 0.05 -0.09 -1.72 0.00 0.00 179.24 178.07 2pwm h ARG 82 N 0.71 0.87 -0.25 3.56 2.43 -1.23 -3.16 114.38 117.31 2pwm h ARG 82 Ca 0.19 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2pwm h ARG 82 Cb 0.08 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2pwm h ARG 82 CO -0.03 0.84 0.00 1.28 -1.51 0.00 0.00 179.97 180.55 2pwm n LEU 83 N -4.23 2.66 -3.35 3.80 4.77 -0.35 -4.37 117.00 115.93 2pwm n LEU 83 Ca 0.03 -1.10 -0.26 0.00 -0.03 0.00 0.00 56.01 54.65 2pwm n LEU 83 Cb 0.28 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 2pwm n LEU 83 CO 0.42 0.55 -0.08 1.41 -1.33 0.00 0.00 177.39 178.36 2pwm n HIS 84 N 0.99 2.04 -1.72 -1.77 8.25 -0.39 -5.05 115.22 117.57 2pwm n HIS 84 Ca 0.18 -3.92 -0.42 0.00 -0.26 0.00 0.00 57.72 53.29 2pwm n HIS 84 Cb 0.49 -0.46 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 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 1.15 2.33 -4.23 -0.41 -0.02 -1.26 -4.86 135.00 127.70 2pwm n PRO 85 Ca 0.26 0.82 -0.15 0.00 -2.02 0.00 0.00 63.50 62.41 2pwm n PRO 85 Cb 0.45 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 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 -0.75 1.18 0.90 -1.45 -7.23 -1.26 -5.16 120.40 106.62 2pwm s VAL 86 Ca 0.58 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.76 2pwm s VAL 86 Cb -0.55 -1.65 0.13 0.00 0.56 0.00 0.00 36.38 34.86 2pwm s VAL 86 CO 0.58 -0.61 1.10 -1.00 -0.31 0.00 0.00 175.10 174.86 2pwm s HIS 87 N -2.80 2.41 -0.95 2.82 3.76 -1.26 -4.96 115.29 114.31 2pwm s HIS 87 Ca 0.12 1.14 -0.20 0.00 -0.15 0.00 0.00 55.06 55.98 2pwm s HIS 87 Cb -0.01 -3.20 -0.10 0.00 1.11 0.00 0.00 32.58 30.38 2pwm s HIS 87 CO 0.01 -2.35 2.01 0.00 -0.85 0.00 0.00 174.74 173.57 2pwm n ALA 88 N -3.83 3.94 0.00 -1.40 0.00 -1.26 -4.79 120.51 113.18 2pwm n ALA 88 Ca 0.07 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.07 2pwm n ALA 88 Cb 0.56 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.41 2pwm n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwm n GLY 89 N 4.40 1.43 3.76 0.00 0.00 -1.26 -4.97 105.19 108.54 2pwm n GLY 89 Ca 0.50 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 2pwm n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pwm s PRO 90 N -2.75 3.35 0.20 1.61 0.04 -1.26 -4.93 135.00 131.26 2pwm s PRO 90 Ca 0.00 2.10 -0.08 0.00 0.04 0.00 0.00 61.00 63.06 2pwm s PRO 90 Cb 0.00 -2.32 0.11 0.00 0.04 0.00 0.00 34.50 32.33 2pwm s PRO 90 CO 0.00 -0.98 1.68 0.82 0.04 0.00 0.00 177.00 178.56 2pwm h ILE 91 N 1.61 1.26 -3.57 0.56 5.03 -1.96 -3.42 117.51 117.02 2pwm h ILE 91 Ca -0.50 -1.08 -0.62 0.00 -0.12 0.00 0.00 64.86 62.54 2pwm h ILE 91 Cb 1.28 0.70 -0.13 0.00 -3.03 0.00 0.00 36.82 35.64 2pwm h ILE 91 CO 0.58 0.40 0.01 -1.61 -0.68 0.00 0.00 178.15 176.86 2pwm s GLU 92 N -5.13 4.02 0.22 2.37 0.41 -1.26 -5.01 118.70 114.32 2pwm s GLU 92 Ca -0.12 0.30 -0.17 0.00 -0.41 0.00 0.00 54.97 54.57 2pwm s GLU 92 Cb 0.14 -3.67 0.22 0.00 -1.78 0.00 0.00 34.13 29.04 2pwm s GLU 92 CO 0.85 -0.40 1.57 -1.00 -0.49 0.00 0.00 175.26 175.79 2pwm h PRO 93 N 8.06 -0.06 0.00 0.39 0.13 -2.02 -0.80 132.00 137.70 2pwm h PRO 93 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2pwm h PRO 93 Cb 1.14 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2pwm h PRO 93 CO 0.73 -0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 2pwm n GLY 94 N -1.47 -0.99 3.77 1.56 0.00 -1.26 -4.93 105.19 101.86 2pwm n GLY 94 Ca 0.08 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2pwm n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pwm s GLN 95 N -2.00 4.45 0.08 1.61 0.74 -0.31 -4.96 119.66 119.28 2pwm s GLN 95 Ca 0.17 1.76 -0.31 0.00 0.05 0.00 0.00 55.36 57.03 2pwm s GLN 95 Cb 0.08 -2.98 -0.09 0.00 1.10 0.00 0.00 33.01 31.12 2pwm s GLN 95 CO 0.13 0.06 1.75 1.41 -0.55 0.00 0.00 175.29 178.09 2pwm s MET 96 N -1.79 4.17 0.69 1.67 -2.45 -1.26 -4.79 119.30 115.53 2pwm s MET 96 Ca 0.49 2.46 -0.14 0.00 -1.25 0.00 0.00 55.69 57.24 2pwm s MET 96 Cb -0.30 -3.67 0.02 0.00 1.25 0.00 0.00 34.83 32.13 2pwm s MET 96 CO 0.38 -0.80 1.12 -0.98 1.05 0.00 0.00 175.02 175.79 2pwm s ARG 97 N 2.91 2.59 0.16 4.11 1.70 -1.26 -4.91 118.95 124.25 2pwm s ARG 97 Ca 0.78 1.43 -0.30 0.00 -0.47 0.00 0.00 55.73 57.17 2pwm s ARG 97 Cb -0.42 -1.92 -0.07 0.00 -0.57 0.00 0.00 34.95 31.97 2pwm s ARG 97 CO 0.35 -1.42 0.99 -1.21 -1.08 0.00 0.00 175.30 172.93 2pwm s GLU 98 N -4.17 4.70 0.31 3.89 0.41 -1.26 -5.02 118.70 117.57 2pwm s GLU 98 Ca 0.67 1.53 -0.28 0.00 -0.41 0.00 0.00 54.97 56.48 2pwm s GLU 98 Cb -0.21 -3.33 -0.09 0.00 -1.78 0.00 0.00 34.13 28.71 2pwm s GLU 98 CO 0.44 0.24 1.14 -1.25 -0.49 0.00 0.00 175.26 175.34 2pwm s PRO 99 N -0.36 4.48 0.56 0.39 0.04 -1.26 -5.05 135.00 133.80 2pwm s PRO 99 Ca 0.46 1.86 0.06 0.00 0.04 0.00 0.00 61.00 63.42 2pwm s PRO 99 Cb -0.25 -3.05 0.07 0.00 0.04 0.00 0.00 34.50 31.30 2pwm s PRO 99 CO 0.32 0.05 0.78 1.03 0.04 0.00 0.00 177.00 179.21 2pwm s ARG 100 N -1.70 2.34 0.22 4.56 1.81 -1.26 -4.93 118.95 119.99 2pwm s ARG 100 Ca 0.48 -1.28 -0.10 0.00 -1.72 0.00 0.00 55.73 53.11 2pwm s ARG 100 Cb -0.32 -2.58 0.32 0.00 -0.45 0.00 0.00 34.95 31.91 2pwm s ARG 100 CO 0.42 -0.81 1.68 0.78 -0.68 0.00 0.00 175.30 176.69 2pwm h GLY 101 N 0.13 0.74 2.00 -3.53 0.00 -1.93 -1.76 103.07 98.72 2pwm h GLY 101 Ca -0.36 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 2pwm h GLY 101 CO 0.44 -0.17 -0.23 1.48 0.00 0.00 0.00 176.54 178.05 2pwm h SER 102 N 0.18 0.00 -0.17 0.19 4.64 -1.95 -1.53 113.55 114.91 2pwm h SER 102 Ca 0.33 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.58 2pwm h SER 102 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2pwm h SER 102 CO -0.48 0.23 -0.18 0.44 -0.87 0.00 0.00 176.83 175.97 2pwm h ASP 103 N 0.00 0.45 -0.83 4.97 3.32 -1.68 0.21 116.42 122.86 2pwm h ASP 103 Ca -0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 2pwm h ASP 103 Cb 0.53 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 2pwm h ASP 103 CO 0.03 0.85 0.43 0.40 -1.72 0.00 0.00 179.24 179.22 2pwm h ILE 104 N 0.06 1.25 0.00 0.35 2.04 -0.90 -2.31 117.51 118.01 2pwm h ILE 104 Ca 0.03 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2pwm h ILE 104 Cb 0.72 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2pwm h ILE 104 CO 0.04 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.48 2pwm n ALA 105 N -2.40 2.25 -0.64 1.87 0.00 -0.62 -4.65 120.51 116.34 2pwm n ALA 105 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2pwm n ALA 105 Cb 0.12 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.01 0.63 0.09 0.00 0.00 -0.87 -4.90 105.19 101.14 2pwm n GLY 106 Ca 0.10 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 2pwm n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pwm n THR 107 N -2.64 1.53 0.02 2.61 -2.24 0.68 -4.29 114.28 109.95 2pwm n THR 107 Ca 0.00 -0.82 0.02 0.00 -2.27 0.00 0.00 64.05 60.98 2pwm n THR 107 Cb 0.00 -0.83 0.03 0.00 -2.10 0.00 0.00 70.33 67.43 2pwm n THR 107 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2pwm n THR 108 N -2.94 0.60 -4.40 4.28 -2.24 -0.87 -4.99 114.28 103.72 2pwm n THR 108 Ca -0.23 -0.80 -0.31 0.00 -2.27 0.00 0.00 64.05 60.44 2pwm n THR 108 Cb 1.09 0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.70 4.40 0.64 3.42 1.04 -1.26 -4.85 113.70 116.38 2pwm s SER 109 Ca 0.05 -0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 2pwm s SER 109 Cb 0.03 -0.91 -0.03 0.00 0.10 0.00 0.00 66.02 65.22 2pwm s SER 109 CO 0.04 0.23 1.05 0.42 0.98 0.00 0.00 173.24 175.96 2pwm s THR 110 N -1.07 4.43 0.24 2.02 -4.23 -1.26 -4.90 115.64 110.87 2pwm s THR 110 Ca 0.19 0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 61.44 2pwm s THR 110 Cb -0.11 -3.77 0.21 0.00 1.34 0.00 0.00 72.50 70.17 2pwm s THR 110 CO 0.10 -1.03 1.76 0.25 -0.54 0.00 0.00 174.62 175.15 2pwm h LEU 111 N -0.40 0.43 -1.06 4.79 5.85 -1.99 -1.43 115.31 121.49 2pwm h LEU 111 Ca -0.44 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 2pwm h LEU 111 Cb 1.20 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 2pwm h LEU 111 CO 0.62 0.20 0.35 0.06 -0.34 0.00 0.00 178.44 179.33 2pwm h GLN 112 N 0.56 1.01 -0.42 1.25 3.07 -2.00 -1.66 115.11 116.93 2pwm h GLN 112 Ca 0.41 -0.13 -0.05 0.00 0.09 0.00 0.00 58.65 58.96 2pwm h GLN 112 Cb 0.55 -0.19 -0.02 0.00 0.08 0.00 0.00 27.48 27.90 2pwm h GLN 112 CO -0.34 0.78 0.06 0.93 0.09 0.00 0.00 178.83 180.35 2pwm h GLU 113 N 1.01 0.69 0.11 0.06 5.08 -1.82 -0.41 114.58 119.30 2pwm h GLU 113 Ca 0.25 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2pwm h GLU 113 Cb 0.09 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2pwm h GLU 113 CO -0.03 0.73 -0.32 1.96 -1.00 0.00 0.00 179.01 180.35 2pwm h GLN 114 N 0.54 -0.52 -1.00 2.33 4.20 -0.96 -1.41 115.11 118.30 2pwm h GLN 114 Ca 0.13 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.90 2pwm h GLN 114 Cb 0.38 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 2pwm h GLN 114 CO 0.01 -0.35 0.66 0.82 -0.67 0.00 0.00 178.83 179.30 2pwm h ILE 115 N -0.54 1.21 -0.41 2.54 1.08 -1.24 -1.35 117.51 118.81 2pwm h ILE 115 Ca 0.03 -0.45 0.07 0.00 -0.39 0.00 0.00 64.86 64.12 2pwm h ILE 115 Cb 0.57 -0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 34.06 2pwm h ILE 115 CO -0.20 0.24 0.07 1.23 -0.69 0.00 0.00 178.15 178.80 2pwm h GLY 116 N 1.31 0.47 0.75 5.37 0.00 -0.74 0.30 103.07 110.53 2pwm h GLY 116 Ca 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 2pwm h GLY 116 CO -0.10 -0.05 0.00 1.49 0.00 0.00 0.00 176.54 177.88 2pwm h TRP 117 N 0.19 0.01 -0.16 5.60 6.55 -0.94 -2.03 115.95 125.18 2pwm h TRP 117 Ca 0.20 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.03 2pwm h TRP 117 Cb 0.25 -0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.54 2pwm h TRP 117 CO -0.22 0.27 0.06 0.52 -1.05 0.00 0.00 178.44 178.02 2pwm h MET 118 N -0.24 0.22 -0.40 0.49 2.86 -0.81 -0.68 114.93 116.37 2pwm h MET 118 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2pwm h MET 118 Cb 0.26 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2pwm h MET 118 CO 0.00 0.19 0.00 0.25 1.06 0.00 0.00 176.91 178.41 2pwm n THR 119 N -4.47 0.59 -1.28 2.22 -2.24 0.10 -4.61 114.28 104.60 2pwm n THR 119 Ca -0.01 -0.80 -0.35 0.00 -2.27 0.00 0.00 64.05 60.63 2pwm n THR 119 Cb 0.12 0.88 0.09 0.00 -2.10 0.00 0.00 70.33 69.32 2pwm n THR 119 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2pwm n HIS 120 N 1.31 0.55 -3.86 4.78 -0.00 -0.77 -4.91 115.22 112.33 2pwm n HIS 120 Ca 0.18 0.38 -0.36 0.00 -0.00 0.00 0.00 57.72 57.93 2pwm n HIS 120 Cb 0.56 -2.06 -0.13 0.00 -0.00 0.00 0.00 29.99 28.36 2pwm n HIS 120 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2pwm s ASN 121 N -1.72 5.04 0.64 0.26 3.04 -1.26 -1.12 114.94 119.82 2pwm s ASN 121 Ca 0.72 -1.45 -0.10 0.00 0.04 0.00 0.00 52.86 52.07 2pwm s ASN 121 Cb -0.33 -1.76 -0.01 0.00 -1.54 0.00 0.00 41.25 37.61 2pwm s ASN 121 CO 0.52 -0.34 1.03 -2.16 -3.04 0.00 0.00 177.10 173.11 2pwm s PRO 122 N 1.24 3.20 0.54 0.43 0.05 -1.26 -5.11 135.00 134.09 2pwm s PRO 122 Ca -0.01 0.50 -0.22 0.00 0.05 0.00 0.00 61.00 61.31 2pwm s PRO 122 Cb -0.20 -2.10 -0.05 0.00 0.05 0.00 0.00 34.50 32.19 2pwm s PRO 122 CO -0.01 -0.76 1.35 -2.30 0.05 0.00 0.00 177.00 175.33 2pwm n PRO 123 N -2.81 1.73 -3.70 0.56 -0.02 -0.27 -4.98 135.00 125.51 2pwm n PRO 123 Ca 0.06 0.63 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 2pwm n PRO 123 Cb 0.56 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 2pwm n PRO 123 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pwm s ILE 124 N -1.28 3.72 -1.39 4.25 1.01 -0.30 -4.98 121.20 122.22 2pwm s ILE 124 Ca 0.70 -2.45 -0.15 0.00 0.00 0.00 0.00 60.65 58.75 2pwm s ILE 124 Cb -0.42 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 38.64 2pwm s ILE 124 CO 0.50 -0.80 2.03 -0.81 0.00 0.00 0.00 174.94 175.86 2pwm n PRO 125 N 4.11 3.01 0.00 2.79 -0.04 -1.26 -3.15 135.00 140.45 2pwm n PRO 125 Ca 0.02 -2.89 -0.00 0.00 -0.04 0.00 0.00 63.50 60.59 2pwm n PRO 125 Cb 0.40 -3.34 0.30 0.00 -0.04 0.00 0.00 33.50 30.81 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 4.54 1.20 0.12 0.52 -1.51 -1.89 -0.80 116.25 118.43 2pwm h VAL 126 Ca 0.52 -0.79 -0.01 0.00 -1.23 0.00 0.00 66.70 65.19 2pwm h VAL 126 Cb 0.72 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 2pwm h VAL 126 CO 1.72 0.27 -0.06 1.23 -1.23 0.00 0.00 177.57 179.50 2pwm h GLY 127 N 0.83 -0.17 0.78 5.19 0.00 -1.86 -0.94 103.07 106.90 2pwm h GLY 127 Ca 0.11 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.55 2pwm h GLY 127 CO 0.01 -0.06 0.54 0.83 0.00 0.00 0.00 176.54 177.86 2pwm h GLU 128 N -0.17 0.97 -0.09 4.80 4.39 -1.59 0.18 114.58 123.07 2pwm h GLU 128 Ca -0.02 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2pwm h GLU 128 Cb 0.13 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2pwm h GLU 128 CO 0.03 0.64 0.04 0.82 -1.16 0.00 0.00 179.01 179.38 2pwm h ILE 129 N 1.00 1.12 -0.81 3.13 2.04 -1.11 -1.06 117.51 121.83 2pwm h ILE 129 Ca 0.36 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2pwm h ILE 129 Cb 0.11 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2pwm h ILE 129 CO -0.15 0.11 0.36 0.22 0.00 0.00 0.00 178.15 178.69 2pwm h TYR 130 N 0.01 1.18 -0.92 1.37 3.20 -0.91 -1.80 116.97 119.10 2pwm h TYR 130 Ca 0.03 -0.07 0.10 0.00 3.14 0.00 0.00 58.73 61.93 2pwm h TYR 130 Cb 0.14 -0.36 -0.08 0.00 1.54 0.00 0.00 36.73 37.97 2pwm h TYR 130 CO -0.03 0.87 0.56 0.87 -1.64 0.00 0.00 178.16 178.79 2pwm h LYS 131 N 1.16 0.90 -0.50 1.82 1.57 -0.49 0.15 116.57 121.17 2pwm h LYS 131 Ca 0.27 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2pwm h LYS 131 Cb 0.15 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2pwm h LYS 131 CO -0.03 0.60 0.22 -0.09 -0.57 0.00 0.00 179.45 179.57 2pwm h ARG 132 N 0.93 0.74 -0.54 3.15 9.65 -0.38 0.13 114.38 128.05 2pwm h ARG 132 Ca 0.44 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 59.16 2pwm h ARG 132 Cb 0.37 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 2pwm h ARG 132 CO -0.24 0.64 0.20 -1.49 2.80 0.00 0.00 179.97 181.88 2pwm h TRP 133 N 0.67 0.84 -0.43 2.20 6.55 -0.77 -0.88 115.95 124.12 2pwm h TRP 133 Ca 0.17 -0.07 0.03 0.00 0.95 0.00 0.00 58.89 59.97 2pwm h TRP 133 Cb 0.17 -0.25 -0.03 0.00 -0.86 0.00 0.00 29.16 28.18 2pwm h TRP 133 CO 0.00 0.70 0.22 0.82 -1.05 0.00 0.00 178.44 179.13 2pwm h ILE 134 N 0.74 0.99 -0.31 1.49 2.04 -0.50 -1.51 117.51 120.44 2pwm h ILE 134 Ca 0.18 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2pwm h ILE 134 Cb 0.23 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2pwm h ILE 134 CO -0.01 0.08 -0.03 0.40 0.00 0.00 0.00 178.15 178.59 2pwm h ILE 135 N 0.45 1.20 -0.77 -0.67 2.04 -0.50 0.19 117.51 119.45 2pwm h ILE 135 Ca 0.18 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 2pwm h ILE 135 Cb 0.08 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2pwm h ILE 135 CO -0.12 0.27 0.30 -0.07 0.00 0.00 0.00 178.15 178.53 2pwm h LEU 136 N 0.46 1.07 -0.52 1.44 3.38 -0.84 0.12 115.31 120.42 2pwm h LEU 136 Ca 0.10 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2pwm h LEU 136 Cb 0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2pwm h LEU 136 CO 0.01 0.95 0.06 1.23 0.09 0.00 0.00 178.44 180.79 2pwm h GLY 137 N 1.12 0.94 1.34 0.83 0.00 -0.23 -3.07 103.07 104.00 2pwm h GLY 137 Ca 0.26 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2pwm h GLY 137 CO -0.02 0.60 0.22 1.41 0.00 0.00 0.00 176.54 178.75 2pwm h LEU 138 N 0.75 0.77 -2.05 3.11 3.38 0.11 -1.48 115.31 119.91 2pwm h LEU 138 Ca 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2pwm h LEU 138 Cb 0.44 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2pwm h LEU 138 CO 0.01 0.70 -0.08 0.78 0.09 0.00 0.00 178.44 179.94 2pwm h ASN 139 N 0.83 0.00 0.09 -0.43 4.21 -0.72 0.13 115.58 119.68 2pwm h ASN 139 Ca 0.20 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.56 2pwm h ASN 139 Cb 0.18 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.39 2pwm h ASN 139 CO -0.02 0.08 -0.70 0.11 -1.29 0.00 0.00 177.43 175.62 2pwm h LYS 140 N 0.00 0.18 -0.48 0.81 1.57 -1.33 -3.38 116.57 113.95 2pwm h LYS 140 Ca -0.00 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 2pwm h LYS 140 Cb 0.29 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2pwm h LYS 140 CO 0.01 1.15 0.20 0.82 -0.57 0.00 0.00 179.45 181.06 2pwm h ILE 141 N -0.59 1.17 -0.04 1.86 2.04 -0.91 -2.85 117.51 118.20 2pwm h ILE 141 Ca -0.14 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.21 2pwm h ILE 141 Cb 1.45 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2pwm h ILE 141 CO 0.07 0.21 0.15 -0.37 0.00 0.00 0.00 178.15 178.21 2pwm h VAL 142 N 0.67 0.13 0.00 1.67 -1.51 -0.90 0.10 116.25 116.41 2pwm h VAL 142 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 2pwm h VAL 142 Cb 0.12 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 2pwm h VAL 142 CO -0.02 0.00 0.00 0.03 -1.23 0.00 0.00 177.57 176.35 2pwm h ARG 143 N 0.00 0.00 -0.00 5.19 3.08 -1.74 -2.11 114.38 118.80 2pwm h ARG 143 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2pwm h ARG 143 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2pwm h ARG 143 CO -0.00 0.00 -0.32 -1.33 -1.07 0.00 0.00 179.97 177.25 2pwm n MET 144 N -2.31 0.43 0.00 0.04 2.81 0.36 -5.20 117.12 113.26 2pwm n MET 144 Ca 0.01 -0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 2pwm n MET 144 Cb 0.17 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 2pwm n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14