#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 1.82 0.11 0.52 1.01 -1.26 -1.78 121.20 121.62 2pwm s ILE 2 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.76 2pwm s ILE 2 Cb 0.00 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2pwm s ILE 2 CO 0.00 0.51 -0.02 0.54 0.00 0.00 0.00 174.94 175.97 2pwm s VAL 3 N 0.28 0.48 -0.23 2.92 0.11 0.44 -4.94 120.40 119.46 2pwm s VAL 3 Ca -0.14 -1.91 -0.17 0.00 -2.93 0.00 0.00 61.98 56.83 2pwm s VAL 3 Cb -0.16 -1.81 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 2pwm s VAL 3 CO 0.06 -0.74 0.44 -1.58 -3.33 0.00 0.00 175.10 169.96 2pwm s GLN 4 N -3.91 4.11 0.98 1.54 0.74 -1.26 -0.51 119.66 121.36 2pwm s GLN 4 Ca 0.16 0.23 -0.16 0.00 0.05 0.00 0.00 55.36 55.64 2pwm s GLN 4 Cb 0.06 -3.60 0.19 0.00 1.10 0.00 0.00 33.01 30.77 2pwm s GLN 4 CO -0.03 -0.19 1.24 0.54 -0.55 0.00 0.00 175.29 176.30 2pwm s ASN 5 N 1.32 2.96 0.26 6.67 2.20 -0.08 -4.91 114.94 123.36 2pwm s ASN 5 Ca 0.20 0.49 0.20 0.00 -0.94 0.00 0.00 52.86 52.81 2pwm s ASN 5 Cb -0.15 -0.70 0.99 0.00 -2.00 0.00 0.00 41.25 39.39 2pwm s ASN 5 CO 0.09 -2.85 1.61 0.18 -2.94 0.00 0.00 177.10 173.19 2pwm n LEU 6 N -3.89 0.52 -0.35 3.54 4.77 -1.26 -1.34 117.00 118.99 2pwm n LEU 6 Ca 0.13 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.94 2pwm n LEU 6 Cb 0.60 -0.72 0.31 0.00 -2.33 0.00 0.00 43.42 41.28 2pwm n LEU 6 CO 0.49 -0.77 0.61 0.00 -1.33 0.00 0.00 177.39 176.39 2pwm n GLN 7 N -2.16 1.08 -0.49 3.23 3.00 -1.26 -4.95 117.38 115.83 2pwm n GLN 7 Ca -0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 2pwm n GLN 7 Cb 0.09 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.85 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 1.33 0.75 3.90 1.08 0.00 -0.45 -5.07 105.19 106.74 2pwm n GLY 8 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.51 3.60 -0.24 1.61 -1.52 -1.26 -4.84 119.66 116.51 2pwm s GLN 9 Ca 0.00 -0.13 -0.22 0.00 -1.95 0.00 0.00 55.36 53.06 2pwm s GLN 9 Cb 0.00 -2.84 -0.01 0.00 -0.22 0.00 0.00 33.01 29.93 2pwm s GLN 9 CO 0.00 0.45 0.71 -1.64 -0.25 0.00 0.00 175.29 174.56 2pwm s MET 10 N -2.78 4.16 0.10 2.91 -1.94 -1.26 -0.91 119.30 119.58 2pwm s MET 10 Ca 0.41 0.72 0.02 0.00 -1.71 0.00 0.00 55.69 55.12 2pwm s MET 10 Cb -0.12 -3.64 -0.04 0.00 2.01 0.00 0.00 34.83 33.04 2pwm s MET 10 CO 0.26 -0.43 -0.07 0.14 -0.01 0.00 0.00 175.02 174.91 2pwm s VAL 11 N 2.54 0.69 0.30 -6.03 -7.23 0.34 -4.94 120.40 106.06 2pwm s VAL 11 Ca 0.30 -1.93 -0.22 0.00 -1.81 0.00 0.00 61.98 58.32 2pwm s VAL 11 Cb -0.15 -1.68 -0.09 0.00 0.56 0.00 0.00 36.38 35.02 2pwm s VAL 11 CO 0.08 -0.87 0.85 -2.28 -0.31 0.00 0.00 175.10 172.57 2pwm s HIS 12 N -3.62 3.62 -0.08 2.82 2.46 -1.26 -0.42 115.29 118.81 2pwm s HIS 12 Ca 0.12 1.58 0.02 0.00 0.47 0.00 0.00 55.06 57.25 2pwm s HIS 12 Cb 0.05 -2.78 0.01 0.00 -0.13 0.00 0.00 32.58 29.74 2pwm s HIS 12 CO -0.05 0.22 -0.14 -1.14 -2.47 0.00 0.00 174.74 171.16 2pwm s GLN 13 N -2.20 1.91 0.50 2.88 0.74 -0.73 -4.85 119.66 117.91 2pwm s GLN 13 Ca 0.49 -0.47 -0.24 0.00 0.05 0.00 0.00 55.36 55.19 2pwm s GLN 13 Cb -0.16 -1.58 -0.07 0.00 1.10 0.00 0.00 33.01 32.30 2pwm s GLN 13 CO 0.21 0.01 1.41 0.00 -0.55 0.00 0.00 175.29 176.37 2pwm s ALA 14 N 0.74 3.04 0.08 1.58 0.00 -1.26 0.12 121.76 126.06 2pwm s ALA 14 Ca -0.13 1.43 -0.37 0.00 0.00 0.00 0.00 51.96 52.89 2pwm s ALA 14 Cb -0.16 -3.59 -0.17 0.00 0.00 0.00 0.00 23.12 19.20 2pwm s ALA 14 CO 0.03 -1.32 1.28 1.51 0.00 0.00 0.00 175.76 177.26 2pwm n ILE 15 N -0.62 0.10 -2.07 0.00 0.00 -1.26 -4.49 119.36 111.02 2pwm n ILE 15 Ca 0.08 -0.03 -0.33 0.00 0.00 0.00 0.00 62.75 62.47 2pwm n ILE 15 Cb 0.43 -0.72 0.01 0.00 0.00 0.00 0.00 39.64 39.37 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 0.37 5.68 0.31 9.51 1.04 -1.26 -4.85 113.70 124.49 2pwm s SER 16 Ca 0.84 1.92 0.07 0.00 0.48 0.00 0.00 55.95 59.27 2pwm s SER 16 Cb -0.98 -2.55 0.83 0.00 0.10 0.00 0.00 66.02 63.42 2pwm s SER 16 CO 0.49 -1.24 1.70 -0.65 0.98 0.00 0.00 173.24 174.52 2pwm h PRO 17 N 0.58 0.44 -0.54 4.02 0.11 -1.99 -0.52 132.00 134.11 2pwm h PRO 17 Ca -0.48 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 2pwm h PRO 17 Cb 1.23 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2pwm h PRO 17 CO 0.57 0.29 -0.10 0.00 -0.21 0.00 0.00 178.00 178.55 2pwm h ARG 18 N 0.46 1.01 -0.07 1.05 3.08 -1.99 0.34 114.38 118.26 2pwm h ARG 18 Ca 0.61 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2pwm h ARG 18 Cb 1.20 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 2pwm h ARG 18 CO -0.52 1.05 -0.00 1.15 -1.07 0.00 0.00 179.97 180.58 2pwm h THR 19 N 0.90 1.25 -0.55 2.04 2.02 -1.69 -1.99 112.91 114.89 2pwm h THR 19 Ca 0.14 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 2pwm h THR 19 Cb 0.66 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 2pwm h THR 19 CO 0.05 0.22 0.22 -0.07 0.37 0.00 0.00 175.52 176.30 2pwm h LEU 20 N -0.17 0.77 -0.46 2.58 3.38 -0.96 -1.31 115.31 119.14 2pwm h LEU 20 Ca 0.02 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.90 2pwm h LEU 20 Cb 0.34 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2pwm h LEU 20 CO 0.00 0.73 0.07 -1.13 0.09 0.00 0.00 178.44 178.20 2pwm h ASN 21 N 0.76 -0.05 -0.51 -0.43 -1.24 -0.86 -0.87 115.58 112.38 2pwm h ASN 21 Ca 0.18 0.09 -0.12 0.00 0.71 0.00 0.00 56.30 57.16 2pwm h ASN 21 Cb 0.21 0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 2pwm h ASN 21 CO -0.01 0.01 -0.15 0.00 -1.29 0.00 0.00 177.43 175.98 2pwm h ALA 22 N 1.37 0.71 -0.26 1.57 0.00 -1.07 -1.68 119.26 119.91 2pwm h ALA 22 Ca 0.23 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2pwm h ALA 22 Cb 0.31 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2pwm h ALA 22 CO -0.32 0.66 0.01 2.35 0.00 0.00 0.00 179.25 181.95 2pwm h TRP 23 N 0.88 0.01 -0.85 0.00 -0.00 -0.99 0.18 115.95 115.18 2pwm h TRP 23 Ca 0.13 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 59.07 2pwm h TRP 23 Cb 0.73 0.03 -0.05 0.00 -0.00 0.00 0.00 29.16 29.87 2pwm h TRP 23 CO 0.05 -0.03 0.54 0.28 -0.00 0.00 0.00 178.44 179.29 2pwm h VAL 24 N 0.09 1.14 -0.51 2.65 2.07 -1.08 -0.67 116.25 119.94 2pwm h VAL 24 Ca 0.12 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 2pwm h VAL 24 Cb 0.15 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 2pwm h VAL 24 CO -0.20 0.19 -0.08 0.11 0.02 0.00 0.00 177.57 177.62 2pwm h LYS 25 N 1.06 0.93 -0.20 1.57 1.57 -0.97 0.15 116.57 120.68 2pwm h LYS 25 Ca 0.34 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2pwm h LYS 25 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2pwm h LYS 25 CO -0.11 0.97 0.09 0.28 -0.57 0.00 0.00 179.45 180.10 2pwm h VAL 26 N 0.84 1.15 -0.48 0.50 2.07 -0.63 -1.84 116.25 117.85 2pwm h VAL 26 Ca 0.14 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 2pwm h VAL 26 Cb 0.61 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2pwm h VAL 26 CO 0.04 0.14 -0.04 0.58 0.02 0.00 0.00 177.57 178.31 2pwm h VAL 27 N 0.18 1.25 -0.77 2.57 2.07 -0.94 0.49 116.25 121.09 2pwm h VAL 27 Ca 0.07 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 2pwm h VAL 27 Cb 0.15 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2pwm h VAL 27 CO -0.01 0.38 0.35 -0.33 0.02 0.00 0.00 177.57 177.98 2pwm h GLU 28 N 0.76 1.12 0.09 1.57 4.39 -0.49 -1.28 114.58 120.74 2pwm h GLU 28 Ca 0.14 -0.17 -0.27 0.00 0.34 0.00 0.00 59.36 59.40 2pwm h GLU 28 Cb 0.51 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2pwm h GLU 28 CO 0.03 0.87 -1.40 1.49 -1.16 0.00 0.00 179.01 178.84 2pwm h GLU 29 N 1.10 0.20 -0.01 2.33 4.81 -1.01 -3.40 114.58 118.60 2pwm h GLU 29 Ca 0.26 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2pwm h GLU 29 Cb 0.14 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2pwm h GLU 29 CO -0.03 1.16 -0.56 1.63 -0.73 0.00 0.00 179.01 180.49 2pwm n LYS 30 N -3.98 1.19 0.00 1.92 4.76 0.17 -5.05 118.16 117.17 2pwm n LYS 30 Ca -0.26 -0.68 0.00 0.00 -2.87 0.00 0.00 58.31 54.50 2pwm n LYS 30 Cb 0.87 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 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 -0.44 0.00 -1.76 7.82 0.00 -0.48 -0.73 120.51 124.93 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 0.39 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.91 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 2.51 -0.81 0.00 3.72 -1.26 -4.69 117.46 130.92 2pwm n PHE 32 Ca 0.00 -2.29 -0.30 0.00 -0.05 0.00 0.00 57.45 54.81 2pwm n PHE 32 Cb 0.00 -0.62 0.18 0.00 -0.94 0.00 0.00 39.48 38.09 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 -3.01 2.60 0.40 4.37 1.04 0.10 -4.11 113.70 115.08 2pwm s SER 33 Ca 0.53 1.81 0.18 0.00 0.48 0.00 0.00 55.95 58.94 2pwm s SER 33 Cb 0.43 -2.40 1.09 0.00 0.10 0.00 0.00 66.02 65.24 2pwm s SER 33 CO 0.02 -3.24 1.78 -0.65 0.98 0.00 0.00 173.24 172.13 2pwm h PRO 34 N -1.96 0.40 0.00 4.02 0.11 -1.83 -0.79 132.00 131.95 2pwm h PRO 34 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2pwm h PRO 34 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2pwm h PRO 34 CO 0.48 0.26 0.00 0.93 -0.21 0.00 0.00 178.00 179.46 2pwm h GLU 35 N 0.41 0.00 -0.24 1.05 5.08 -1.91 -1.87 114.58 117.10 2pwm h GLU 35 Ca 0.58 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.87 2pwm h GLU 35 Cb 1.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2pwm h GLU 35 CO -0.28 0.00 -0.14 -0.24 -1.00 0.00 0.00 179.01 177.35 2pwm h VAL 36 N 0.00 1.22 0.25 3.13 3.04 -1.44 -3.32 116.25 119.13 2pwm h VAL 36 Ca 0.00 -0.97 -0.00 0.00 -1.01 0.00 0.00 66.70 64.72 2pwm h VAL 36 Cb 0.20 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 2pwm h VAL 36 CO 0.00 0.31 -0.19 0.40 -1.01 0.00 0.00 177.57 177.08 2pwm h ILE 37 N 0.37 0.59 -0.92 3.17 2.04 -1.52 0.23 117.51 121.46 2pwm h ILE 37 Ca 0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.01 2pwm h ILE 37 Cb 0.47 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2pwm h ILE 37 CO 0.03 0.00 0.59 -0.65 0.00 0.00 0.00 178.15 178.12 2pwm h PRO 38 N -0.45 0.97 0.28 2.37 0.11 -1.76 0.98 132.00 134.50 2pwm h PRO 38 Ca -0.01 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 2pwm h PRO 38 Cb 0.39 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2pwm h PRO 38 CO -0.01 0.64 -0.13 0.52 -0.21 0.00 0.00 178.00 178.81 2pwm h MET 39 N 1.00 -0.36 -0.54 1.05 2.86 -1.59 -1.45 114.93 115.90 2pwm h MET 39 Ca 0.41 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 58.17 2pwm h MET 39 Cb 0.28 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 31.91 2pwm h MET 39 CO -0.17 -0.07 -0.32 0.35 1.06 0.00 0.00 176.91 177.77 2pwm h PHE 40 N -0.66 -0.88 -0.60 -0.22 3.57 -0.26 0.12 116.94 118.01 2pwm h PHE 40 Ca -0.04 0.07 0.11 0.00 3.53 0.00 0.00 57.97 61.64 2pwm h PHE 40 Cb 0.46 0.47 -0.08 0.00 2.79 0.00 0.00 35.95 39.59 2pwm h PHE 40 CO 0.01 -0.38 0.16 1.03 -2.23 0.00 0.00 178.31 176.91 2pwm h SER 41 N -0.18 0.08 -0.07 0.41 0.87 -0.67 -1.00 113.55 112.99 2pwm h SER 41 Ca 0.22 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 2pwm h SER 41 Cb 0.54 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2pwm h SER 41 CO -0.64 0.05 -0.10 0.00 -0.53 0.00 0.00 176.83 175.61 2pwm h ALA 42 N 1.46 0.11 0.00 6.23 0.00 -0.94 -3.15 119.26 122.97 2pwm h ALA 42 Ca 0.31 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2pwm h ALA 42 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2pwm h ALA 42 CO -0.37 -0.04 -0.22 -0.07 0.00 0.00 0.00 179.25 178.56 2pwm h LEU 43 N -0.26 0.00 -1.43 0.00 3.38 -0.55 -2.43 115.31 114.01 2pwm h LEU 43 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2pwm h LEU 43 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2pwm h LEU 43 CO 0.02 0.22 0.00 -1.54 0.09 0.00 0.00 178.44 177.23 2pwm n SER 44 N -4.15 2.15 -4.68 -0.43 3.41 -0.40 -4.94 113.62 104.58 2pwm n SER 44 Ca -0.02 -1.81 -0.45 0.00 -0.26 0.00 0.00 58.87 56.33 2pwm n SER 44 Cb 0.28 -0.15 -0.04 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 0.64 2.22 -0.93 4.33 2.13 -0.92 -1.15 120.64 126.96 2pwm n GLU 45 Ca 0.17 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.78 2pwm n GLU 45 Cb 0.40 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.55 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 3.18 0.54 3.76 8.31 0.00 -1.26 -5.01 105.19 114.72 2pwm n GLY 46 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.44 3.48 0.74 4.61 0.00 -0.30 -4.32 121.76 123.53 2pwm s ALA 47 Ca 0.00 1.15 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 2pwm s ALA 47 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2pwm s ALA 47 CO 0.00 -0.51 1.08 0.95 0.00 0.00 0.00 175.76 177.29 2pwm s THR 48 N -1.00 3.51 0.30 0.00 -4.23 -1.26 -4.38 115.64 108.56 2pwm s THR 48 Ca 0.49 0.49 0.04 0.00 -1.18 0.00 0.00 61.69 61.53 2pwm s THR 48 Cb -0.37 -3.33 0.29 0.00 1.34 0.00 0.00 72.50 70.42 2pwm s THR 48 CO 0.48 -0.64 1.79 -0.65 -0.54 0.00 0.00 174.62 175.06 2pwm h PRO 49 N -0.82 0.79 -0.33 3.99 0.11 -1.85 -0.07 132.00 133.81 2pwm h PRO 49 Ca -0.46 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.67 2pwm h PRO 49 Cb 1.25 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 2pwm h PRO 49 CO 0.61 0.52 -0.05 0.37 -0.21 0.00 0.00 178.00 179.24 2pwm h GLN 50 N 0.81 0.04 -0.68 1.05 4.15 -1.91 -0.02 115.11 118.54 2pwm h GLN 50 Ca 0.55 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.89 2pwm h GLN 50 Cb 0.79 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 2pwm h GLN 50 CO -0.36 0.03 0.12 -0.44 -1.93 0.00 0.00 178.83 176.25 2pwm h ASP 51 N 0.04 1.08 -0.60 -0.69 3.32 -1.70 -2.41 116.42 115.45 2pwm h ASP 51 Ca 0.16 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.99 2pwm h ASP 51 Cb 0.23 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 2pwm h ASP 51 CO -0.31 1.06 0.34 -0.07 -1.72 0.00 0.00 179.24 178.54 2pwm h LEU 52 N 1.05 0.53 -1.60 1.55 3.38 -0.60 -1.90 115.31 117.73 2pwm h LEU 52 Ca 0.21 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2pwm h LEU 52 Cb 0.43 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2pwm h LEU 52 CO 0.01 0.36 0.04 0.78 0.09 0.00 0.00 178.44 179.73 2pwm h ASN 53 N 0.66 0.27 -0.38 -0.43 -0.26 -0.73 0.49 115.58 115.21 2pwm h ASN 53 Ca 0.26 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.93 2pwm h ASN 53 Cb 0.10 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 2pwm h ASN 53 CO -0.14 0.29 0.08 0.74 -1.06 0.00 0.00 177.43 177.34 2pwm h THR 54 N 0.30 1.23 -0.29 2.81 2.02 -1.04 -1.63 112.91 116.30 2pwm h THR 54 Ca 0.07 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.46 2pwm h THR 54 Cb 0.14 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2pwm h THR 54 CO -0.00 0.27 0.18 0.24 0.37 0.00 0.00 175.52 176.58 2pwm h MET 55 N 0.46 0.36 0.00 6.66 2.86 -0.83 -2.20 114.93 122.25 2pwm h MET 55 Ca 0.12 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2pwm h MET 55 Cb 0.32 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 2pwm h MET 55 CO 0.00 0.24 -0.07 -0.07 1.06 0.00 0.00 176.91 178.08 2pwm h LEU 56 N 0.38 0.00 -2.83 1.22 3.38 -0.77 -2.93 115.31 113.76 2pwm h LEU 56 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2pwm h LEU 56 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2pwm h LEU 56 CO -0.04 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.15 2pwm n ASN 57 N -4.28 4.22 -0.79 -0.43 4.13 -0.63 -3.89 115.26 113.59 2pwm n ASN 57 Ca -0.03 -2.18 0.09 0.00 1.68 0.00 0.00 54.58 54.15 2pwm n ASN 57 Cb 0.15 -0.52 0.11 0.00 -1.54 0.00 0.00 39.78 37.97 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 1.43 0.16 -2.45 3.41 -2.24 -0.96 -4.93 114.28 108.69 2pwm n THR 58 Ca 0.25 -0.58 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 2pwm n THR 58 Cb 0.72 1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 70.18 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 -1.46 4.20 -0.24 2.28 1.01 -1.25 -4.94 120.40 120.00 2pwm s VAL 59 Ca 0.24 1.37 -0.28 0.00 0.00 0.00 0.00 61.98 63.32 2pwm s VAL 59 Cb 0.16 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.37 2pwm s VAL 59 CO 0.24 -0.44 0.98 -0.83 0.00 0.00 0.00 175.10 175.04 2pwm s GLY 60 N 2.56 1.71 0.00 4.51 0.00 -1.26 -4.86 107.32 109.97 2pwm s GLY 60 Ca 0.55 0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.34 2pwm s GLY 60 CO 0.21 2.08 0.00 0.61 0.00 0.00 0.00 173.10 176.01 2pwm n GLY 61 N 3.47 0.19 4.01 0.20 0.00 -1.26 -4.97 105.19 106.83 2pwm n GLY 61 Ca 0.10 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 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 6.04 -1.65 -0.15 1.61 -0.00 -1.26 -4.84 115.22 114.96 2pwm n HIS 62 Ca 0.00 0.75 -0.10 0.00 -0.00 0.00 0.00 57.72 58.37 2pwm n HIS 62 Cb 0.00 -3.58 -0.00 0.00 -0.00 0.00 0.00 29.99 26.40 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 -1.79 0.73 -0.28 -0.41 1.08 -1.96 -0.09 115.11 112.39 2pwm h GLN 63 Ca -0.63 -0.20 0.04 0.00 -1.45 0.00 0.00 58.65 56.41 2pwm h GLN 63 Cb 1.38 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.69 2pwm h GLN 63 CO 0.65 0.76 0.07 0.00 -0.95 0.00 0.00 178.83 179.36 2pwm h ALA 64 N 0.94 0.30 -0.26 3.87 0.00 -2.00 -0.55 119.26 121.56 2pwm h ALA 64 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2pwm h ALA 64 Cb 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2pwm h ALA 64 CO 0.01 -0.34 0.14 0.00 0.00 0.00 0.00 179.25 179.06 2pwm h ALA 65 N 1.20 0.34 -0.89 0.00 0.00 -1.92 -1.91 119.26 116.07 2pwm h ALA 65 Ca 0.13 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2pwm h ALA 65 Cb 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2pwm h ALA 65 CO -0.16 -0.13 0.59 0.52 0.00 0.00 0.00 179.25 180.07 2pwm h MET 66 N 0.31 1.09 -0.68 0.00 2.07 -0.57 -0.56 114.93 116.59 2pwm h MET 66 Ca 0.09 -0.07 -0.05 0.00 -2.07 0.00 0.00 59.70 57.61 2pwm h MET 66 Cb 0.07 -0.25 -0.03 0.00 -1.87 0.00 0.00 31.60 29.53 2pwm h MET 66 CO -0.01 0.72 0.24 0.37 1.07 0.00 0.00 176.91 179.30 2pwm h GLN 67 N 1.12 1.04 -0.93 1.72 5.75 -0.97 -1.17 115.11 121.67 2pwm h GLN 67 Ca 0.35 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 2pwm h GLN 67 Cb 0.01 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 2pwm h GLN 67 CO -0.10 0.88 0.54 1.98 -2.65 0.00 0.00 178.83 179.48 2pwm h MET 68 N 0.98 1.28 -0.38 1.69 4.05 -0.78 -1.55 114.93 120.20 2pwm h MET 68 Ca 0.22 -0.13 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 2pwm h MET 68 Cb 0.26 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2pwm h MET 68 CO -0.01 0.91 0.09 1.25 0.23 0.00 0.00 176.91 179.37 2pwm h LEU 69 N 1.29 0.59 -0.79 3.39 5.85 -0.84 -1.31 115.31 123.49 2pwm h LEU 69 Ca 0.33 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2pwm h LEU 69 Cb -0.02 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2pwm h LEU 69 CO -0.06 0.68 0.48 0.50 -0.34 0.00 0.00 178.44 179.70 2pwm h LYS 70 N 0.48 0.86 -0.81 1.25 3.64 -1.05 0.14 116.57 121.07 2pwm h LYS 70 Ca 0.12 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2pwm h LYS 70 Cb 0.32 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 2pwm h LYS 70 CO 0.00 0.57 0.54 0.93 -2.27 0.00 0.00 179.45 179.22 2pwm h GLU 71 N 0.89 1.05 -0.16 1.90 5.08 -1.07 -0.44 114.58 121.84 2pwm h GLU 71 Ca 0.34 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2pwm h GLU 71 Cb 0.15 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2pwm h GLU 71 CO -0.17 0.70 0.01 1.15 -1.00 0.00 0.00 179.01 179.71 2pwm h THR 72 N 1.09 1.24 -0.48 1.13 2.02 -0.75 -1.89 112.91 115.26 2pwm h THR 72 Ca 0.30 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.76 2pwm h THR 72 Cb -0.10 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 2pwm h THR 72 CO -0.07 0.23 0.23 0.40 0.37 0.00 0.00 175.52 176.68 2pwm h ILE 73 N 0.03 0.94 -0.86 3.11 2.04 -0.45 -1.05 117.51 121.28 2pwm h ILE 73 Ca 0.05 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.77 2pwm h ILE 73 Cb 0.34 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2pwm h ILE 73 CO 0.01 0.08 0.57 0.78 0.00 0.00 0.00 178.15 179.59 2pwm h ASN 74 N 0.45 0.96 0.14 1.72 2.35 -0.97 0.87 115.58 121.10 2pwm h ASN 74 Ca 0.22 -0.02 -0.24 0.00 -0.55 0.00 0.00 56.30 55.71 2pwm h ASN 74 Cb 0.15 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.29 2pwm h ASN 74 CO -0.17 0.68 -0.93 -0.08 -1.65 0.00 0.00 177.43 175.28 2pwm h GLU 75 N 1.13 0.57 -0.26 0.81 4.57 -0.88 -2.15 114.58 118.36 2pwm h GLU 75 Ca 0.33 -0.57 -0.14 0.00 -1.18 0.00 0.00 59.36 57.79 2pwm h GLU 75 Cb -0.07 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2pwm h GLU 75 CO -0.08 1.19 -0.41 0.93 -1.18 0.00 0.00 179.01 179.46 2pwm h GLU 76 N 0.34 0.63 -0.48 1.92 4.39 -1.01 -1.74 114.58 118.63 2pwm h GLU 76 Ca -0.09 -0.33 -0.12 0.00 0.34 0.00 0.00 59.36 59.16 2pwm h GLU 76 Cb 1.57 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.21 2pwm h GLU 76 CO 0.17 0.93 -0.17 0.00 -1.16 0.00 0.00 179.01 178.78 2pwm h ALA 77 N 1.03 0.79 -0.56 3.43 0.00 -0.79 0.12 119.26 123.27 2pwm h ALA 77 Ca 0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2pwm h ALA 77 Cb 0.93 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2pwm h ALA 77 CO 0.08 0.66 -0.01 0.00 0.00 0.00 0.00 179.25 179.99 2pwm h ALA 78 N 0.97 0.93 -0.09 0.00 0.00 -1.32 -2.43 119.26 117.31 2pwm h ALA 78 Ca 0.12 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 2pwm h ALA 78 Cb 0.73 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2pwm h ALA 78 CO 0.06 0.64 -0.61 0.93 0.00 0.00 0.00 179.25 180.27 2pwm h GLU 79 N 0.89 0.32 -0.23 0.00 4.39 -1.15 -2.05 114.58 116.75 2pwm h GLU 79 Ca 0.16 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.66 2pwm h GLU 79 Cb 0.53 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2pwm h GLU 79 CO 0.03 0.83 0.11 2.35 -1.16 0.00 0.00 179.01 181.17 2pwm h TRP 80 N 0.24 0.21 -0.49 4.33 2.91 -0.79 -1.28 115.95 121.09 2pwm h TRP 80 Ca -0.01 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 2pwm h TRP 80 Cb 1.13 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 29.69 2pwm h TRP 80 CO 0.03 0.12 0.25 -0.44 -1.03 0.00 0.00 178.44 177.37 2pwm h ASP 81 N 0.25 0.63 -0.75 2.65 3.32 -1.26 -1.18 116.42 120.08 2pwm h ASP 81 Ca 0.10 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.05 2pwm h ASP 81 Cb 0.03 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 2pwm h ASP 81 CO -0.07 0.57 0.49 -0.09 -1.72 0.00 0.00 179.24 178.42 2pwm h ARG 82 N 0.65 0.95 -0.08 3.56 2.43 -1.22 -3.21 114.38 117.47 2pwm h ARG 82 Ca 0.17 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2pwm h ARG 82 Cb 0.10 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2pwm h ARG 82 CO -0.02 0.63 0.00 1.28 -1.51 0.00 0.00 179.97 180.34 2pwm n LEU 83 N -4.59 2.19 -3.38 3.80 4.77 -0.50 -4.36 117.00 114.94 2pwm n LEU 83 Ca 0.08 -0.78 -0.26 0.00 -0.03 0.00 0.00 56.01 55.01 2pwm n LEU 83 Cb 0.05 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 2pwm n LEU 83 CO 0.35 0.39 -0.05 1.41 -1.33 0.00 0.00 177.39 178.16 2pwm n HIS 84 N 0.70 2.33 -1.73 -1.77 8.25 -0.47 -5.06 115.22 117.47 2pwm n HIS 84 Ca 0.17 -3.97 -0.42 0.00 -0.26 0.00 0.00 57.72 53.24 2pwm n HIS 84 Cb 0.45 -0.48 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 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 1.12 2.35 -4.23 -0.41 -0.02 -1.26 -4.86 135.00 127.69 2pwm n PRO 85 Ca 0.27 0.82 -0.15 0.00 -2.02 0.00 0.00 63.50 62.43 2pwm n PRO 85 Cb 0.44 -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 -0.94 1.12 0.90 -1.45 -7.23 -1.26 -5.16 120.40 106.38 2pwm s VAL 86 Ca 0.56 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.70 2pwm s VAL 86 Cb -0.54 -1.69 0.13 0.00 0.56 0.00 0.00 36.38 34.85 2pwm s VAL 86 CO 0.61 -0.67 1.10 -1.00 -0.31 0.00 0.00 175.10 174.83 2pwm s HIS 87 N -2.98 2.40 -1.03 2.82 3.76 -1.26 -4.96 115.29 114.05 2pwm s HIS 87 Ca 0.13 1.11 -0.20 0.00 -0.15 0.00 0.00 55.06 55.95 2pwm s HIS 87 Cb 0.00 -3.21 -0.08 0.00 1.11 0.00 0.00 32.58 30.40 2pwm s HIS 87 CO 0.01 -2.38 2.00 0.00 -0.85 0.00 0.00 174.74 173.52 2pwm n ALA 88 N -3.84 3.83 0.00 -1.40 0.00 -1.26 -4.79 120.51 113.04 2pwm n ALA 88 Ca 0.06 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 50.03 2pwm n ALA 88 Cb 0.56 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 4.56 1.53 3.76 0.00 0.00 -1.26 -4.97 105.19 108.81 2pwm n GLY 89 Ca 0.50 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.99 3.53 0.21 1.61 0.04 -1.26 -4.93 135.00 131.21 2pwm s PRO 90 Ca 0.00 2.15 -0.07 0.00 0.04 0.00 0.00 61.00 63.12 2pwm s PRO 90 Cb 0.00 -2.46 0.15 0.00 0.04 0.00 0.00 34.50 32.24 2pwm s PRO 90 CO 0.00 -0.85 1.70 0.82 0.04 0.00 0.00 177.00 178.71 2pwm h ILE 91 N 1.88 1.26 -3.45 0.56 1.08 -1.97 -3.41 117.51 113.47 2pwm h ILE 91 Ca -0.50 -1.05 -0.60 0.00 -0.39 0.00 0.00 64.86 62.31 2pwm h ILE 91 Cb 1.27 0.71 -0.11 0.00 -3.07 0.00 0.00 36.82 35.62 2pwm h ILE 91 CO 0.60 0.39 0.16 -1.61 -0.69 0.00 0.00 178.15 177.00 2pwm s GLU 92 N -5.13 4.14 0.19 2.37 0.41 -1.26 -5.01 118.70 114.42 2pwm s GLU 92 Ca -0.11 0.59 -0.24 0.00 -0.41 0.00 0.00 54.97 54.80 2pwm s GLU 92 Cb 0.14 -3.63 0.09 0.00 -1.78 0.00 0.00 34.13 28.96 2pwm s GLU 92 CO 0.84 -0.37 1.53 -2.30 -0.49 0.00 0.00 175.26 174.48 2pwm n PRO 93 N 5.52 -0.33 -0.07 0.39 -0.01 -1.26 -1.00 135.00 138.25 2pwm n PRO 93 Ca -0.01 1.51 0.02 0.00 -0.01 0.00 0.00 63.50 65.01 2pwm n PRO 93 Cb 0.49 -2.23 0.05 0.00 -0.01 0.00 0.00 33.50 31.80 2pwm n PRO 93 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2pwm n GLY 94 N -1.36 -0.16 3.77 -1.23 0.00 -1.26 -4.94 105.19 100.01 2pwm n GLY 94 Ca 0.06 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.77 4.35 0.05 1.61 0.74 -0.17 -4.95 119.66 119.53 2pwm s GLN 95 Ca 0.08 1.59 -0.30 0.00 0.05 0.00 0.00 55.36 56.77 2pwm s GLN 95 Cb 0.04 -2.77 -0.09 0.00 1.10 0.00 0.00 33.01 31.29 2pwm s GLN 95 CO 0.05 0.01 1.84 1.41 -0.55 0.00 0.00 175.29 178.04 2pwm s MET 96 N -2.11 4.15 0.68 1.67 -2.45 -1.26 -4.79 119.30 115.19 2pwm s MET 96 Ca 0.53 2.51 -0.14 0.00 -1.25 0.00 0.00 55.69 57.33 2pwm s MET 96 Cb -0.25 -3.88 0.01 0.00 1.25 0.00 0.00 34.83 31.96 2pwm s MET 96 CO 0.31 -0.87 1.10 -0.98 1.05 0.00 0.00 175.02 175.63 2pwm s ARG 97 N 3.62 2.73 0.13 4.11 1.70 -1.26 -4.90 118.95 125.08 2pwm s ARG 97 Ca 0.82 1.31 -0.26 0.00 -0.47 0.00 0.00 55.73 57.13 2pwm s ARG 97 Cb -0.42 -1.95 -0.07 0.00 -0.57 0.00 0.00 34.95 31.94 2pwm s ARG 97 CO 0.37 -1.29 0.81 -1.21 -1.08 0.00 0.00 175.30 172.90 2pwm s GLU 98 N -4.29 4.59 0.41 3.89 0.41 -1.26 -5.02 118.70 117.43 2pwm s GLU 98 Ca 0.65 1.20 -0.24 0.00 -0.41 0.00 0.00 54.97 56.16 2pwm s GLU 98 Cb -0.19 -3.30 -0.08 0.00 -1.78 0.00 0.00 34.13 28.77 2pwm s GLU 98 CO 0.45 0.45 1.12 -1.25 -0.49 0.00 0.00 175.26 175.53 2pwm s PRO 99 N -0.73 4.05 0.52 0.39 0.04 -1.26 -5.05 135.00 132.97 2pwm s PRO 99 Ca 0.38 1.69 0.07 0.00 0.04 0.00 0.00 61.00 63.19 2pwm s PRO 99 Cb -0.23 -2.58 0.05 0.00 0.04 0.00 0.00 34.50 31.79 2pwm s PRO 99 CO 0.26 -0.29 0.72 1.03 0.04 0.00 0.00 177.00 178.77 2pwm s ARG 100 N -2.44 2.48 0.25 4.56 1.81 -1.26 -4.94 118.95 119.41 2pwm s ARG 100 Ca 0.58 -1.33 -0.05 0.00 -1.72 0.00 0.00 55.73 53.21 2pwm s ARG 100 Cb -0.27 -2.64 0.48 0.00 -0.45 0.00 0.00 34.95 32.07 2pwm s ARG 100 CO 0.33 -0.67 1.65 0.78 -0.68 0.00 0.00 175.30 176.71 2pwm h GLY 101 N 0.28 0.96 2.00 -3.53 0.00 -1.92 -1.63 103.07 99.23 2pwm h GLY 101 Ca -0.36 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 2pwm h GLY 101 CO 0.44 -0.28 -0.23 1.48 0.00 0.00 0.00 176.54 177.95 2pwm h SER 102 N 0.15 0.00 -0.19 0.19 4.64 -1.95 -1.82 113.55 114.57 2pwm h SER 102 Ca 0.43 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.55 2pwm h SER 102 Cb 0.78 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 2pwm h SER 102 CO -0.63 0.23 -0.70 0.44 -0.87 0.00 0.00 176.83 175.30 2pwm h ASP 103 N 0.00 0.94 -0.56 4.97 3.32 -1.65 0.30 116.42 123.74 2pwm h ASP 103 Ca -0.00 -0.60 -0.10 0.00 0.02 0.00 0.00 57.03 56.34 2pwm h ASP 103 Cb 0.55 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2pwm h ASP 103 CO 0.03 1.38 -0.05 0.40 -1.72 0.00 0.00 179.24 179.28 2pwm h ILE 104 N 0.55 1.27 0.00 0.35 2.04 -0.98 -2.59 117.51 118.15 2pwm h ILE 104 Ca -0.03 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.62 2pwm h ILE 104 Cb 1.32 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2pwm h ILE 104 CO 0.15 0.43 0.00 0.00 0.00 0.00 0.00 178.15 178.73 2pwm n ALA 105 N -2.49 2.27 -0.78 1.87 0.00 -0.72 -4.65 120.51 116.00 2pwm n ALA 105 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2pwm n ALA 105 Cb 0.37 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 0.98 0.53 0.09 0.00 0.00 -0.98 -4.90 105.19 100.91 2pwm n GLY 106 Ca 0.11 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.78 1.39 0.02 2.61 -2.24 0.06 -4.30 114.28 109.03 2pwm n THR 107 Ca 0.00 -0.80 0.01 0.00 -2.27 0.00 0.00 64.05 60.99 2pwm n THR 107 Cb 0.00 -0.71 0.01 0.00 -2.10 0.00 0.00 70.33 67.53 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 -2.86 0.51 -4.39 4.28 -2.24 -0.97 -5.01 114.28 103.60 2pwm n THR 108 Ca -0.22 -0.76 -0.31 0.00 -2.27 0.00 0.00 64.05 60.49 2pwm n THR 108 Cb 1.05 0.76 -0.10 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.57 4.50 0.67 3.42 1.04 -1.26 -4.86 113.70 116.64 2pwm s SER 109 Ca 0.02 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.10 2pwm s SER 109 Cb 0.01 -0.97 -0.01 0.00 0.10 0.00 0.00 66.02 65.16 2pwm s SER 109 CO 0.02 0.24 1.06 0.42 0.98 0.00 0.00 173.24 175.96 2pwm s THR 110 N -1.07 4.16 0.24 2.02 -4.23 -1.26 -4.89 115.64 110.60 2pwm s THR 110 Ca 0.19 0.70 -0.05 0.00 -1.18 0.00 0.00 61.69 61.35 2pwm s THR 110 Cb -0.11 -3.60 0.20 0.00 1.34 0.00 0.00 72.50 70.33 2pwm s THR 110 CO 0.10 -0.92 1.76 0.25 -0.54 0.00 0.00 174.62 175.28 2pwm h LEU 111 N -0.56 0.44 -1.13 4.79 5.85 -1.99 -1.58 115.31 121.12 2pwm h LEU 111 Ca -0.44 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 2pwm h LEU 111 Cb 1.21 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2pwm h LEU 111 CO 0.61 0.22 0.09 0.06 -0.34 0.00 0.00 178.44 179.08 2pwm h GLN 112 N 0.57 0.71 -0.38 1.25 -0.00 -2.00 -1.66 115.11 113.60 2pwm h GLN 112 Ca 0.39 -0.14 -0.06 0.00 -0.00 0.00 0.00 58.65 58.85 2pwm h GLN 112 Cb 0.49 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.85 2pwm h GLN 112 CO -0.32 0.66 0.02 0.93 -0.00 0.00 0.00 178.83 180.11 2pwm h GLU 113 N 0.68 0.66 0.09 0.06 5.08 -1.83 -0.60 114.58 118.72 2pwm h GLU 113 Ca 0.15 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2pwm h GLU 113 Cb 0.28 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2pwm h GLU 113 CO 0.00 0.75 -0.29 1.96 -1.00 0.00 0.00 179.01 180.42 2pwm h GLN 114 N 0.49 -0.47 -0.73 2.33 4.20 -0.97 -1.01 115.11 118.94 2pwm h GLN 114 Ca 0.11 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.91 2pwm h GLN 114 Cb 0.44 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.27 2pwm h GLN 114 CO 0.02 -0.32 0.42 0.82 -0.67 0.00 0.00 178.83 179.10 2pwm h ILE 115 N -0.49 0.99 -0.39 2.54 1.08 -1.25 -1.22 117.51 118.76 2pwm h ILE 115 Ca 0.04 -0.26 0.06 0.00 -0.39 0.00 0.00 64.86 64.30 2pwm h ILE 115 Cb 0.54 0.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.38 2pwm h ILE 115 CO -0.19 0.14 0.08 1.23 -0.69 0.00 0.00 178.15 178.72 2pwm h GLY 116 N 0.77 0.46 0.85 5.37 0.00 -0.77 0.19 103.07 109.94 2pwm h GLY 116 Ca 0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 2pwm h GLY 116 CO -0.18 -0.03 -0.01 1.49 0.00 0.00 0.00 176.54 177.80 2pwm h TRP 117 N 0.20 -0.03 -0.20 5.60 6.55 -0.92 -2.40 115.95 124.75 2pwm h TRP 117 Ca 0.19 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.02 2pwm h TRP 117 Cb 0.22 0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.52 2pwm h TRP 117 CO -0.20 0.13 0.08 0.52 -1.05 0.00 0.00 178.44 177.92 2pwm h MET 118 N -0.18 0.27 -0.51 0.49 2.86 -0.79 -0.93 114.93 116.15 2pwm h MET 118 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2pwm h MET 118 Cb 0.17 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2pwm h MET 118 CO 0.01 0.23 0.00 0.25 1.06 0.00 0.00 176.91 178.46 2pwm n THR 119 N -4.45 0.79 -1.27 2.22 -2.24 0.63 -4.62 114.28 105.34 2pwm n THR 119 Ca -0.00 -0.90 -0.35 0.00 -2.27 0.00 0.00 64.05 60.54 2pwm n THR 119 Cb 0.12 0.69 0.11 0.00 -2.10 0.00 0.00 70.33 69.15 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 1.16 -3.84 4.78 -0.00 -0.91 -4.91 115.22 112.82 2pwm n HIS 120 Ca 0.19 0.40 -0.36 0.00 -0.00 0.00 0.00 57.72 57.96 2pwm n HIS 120 Cb 0.56 -2.12 -0.13 0.00 -0.00 0.00 0.00 29.99 28.30 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 -1.87 5.07 0.66 0.26 2.47 -1.26 -0.90 114.94 119.37 2pwm s ASN 121 Ca 0.75 -1.41 -0.11 0.00 0.42 0.00 0.00 52.86 52.51 2pwm s ASN 121 Cb -0.32 -1.78 -0.01 0.00 -1.45 0.00 0.00 41.25 37.70 2pwm s ASN 121 CO 0.49 -0.34 1.06 -2.16 -3.72 0.00 0.00 177.10 172.43 2pwm s PRO 122 N 1.26 3.20 0.58 0.43 0.05 -1.26 -5.11 135.00 134.15 2pwm s PRO 122 Ca -0.01 0.57 -0.20 0.00 0.05 0.00 0.00 61.00 61.40 2pwm s PRO 122 Cb -0.20 -2.06 -0.03 0.00 0.05 0.00 0.00 34.50 32.25 2pwm s PRO 122 CO -0.01 -0.81 1.32 -2.14 0.05 0.00 0.00 177.00 175.42 2pwm s PRO 123 N -5.26 2.92 -0.54 0.56 0.02 -0.08 -4.98 135.00 127.64 2pwm s PRO 123 Ca 0.56 2.14 -0.04 0.00 0.02 0.00 0.00 61.00 63.69 2pwm s PRO 123 Cb -0.11 -2.09 0.14 0.00 0.02 0.00 0.00 34.50 32.46 2pwm s PRO 123 CO 0.52 -1.33 0.36 0.42 -0.33 0.00 0.00 177.00 176.64 2pwm s ILE 124 N -1.36 3.71 -1.35 2.83 1.01 -0.39 -4.98 121.20 120.68 2pwm s ILE 124 Ca 0.76 -2.48 -0.15 0.00 0.00 0.00 0.00 60.65 58.78 2pwm s ILE 124 Cb -0.39 -3.45 0.08 0.00 0.01 0.00 0.00 42.46 38.71 2pwm s ILE 124 CO 0.44 -0.81 1.92 -0.81 0.00 0.00 0.00 174.94 175.68 2pwm n PRO 125 N 4.07 3.14 0.05 2.79 -0.04 -1.26 -3.17 135.00 140.58 2pwm n PRO 125 Ca 0.03 -3.11 0.01 0.00 -0.04 0.00 0.00 63.50 60.38 2pwm n PRO 125 Cb 0.40 -3.27 0.33 0.00 -0.04 0.00 0.00 33.50 30.91 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 -0.13 0.52 -1.51 -1.89 0.17 116.25 119.14 2pwm h VAL 126 Ca 0.47 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2pwm h VAL 126 Cb 0.74 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 2pwm h VAL 126 CO 1.63 0.27 0.09 1.23 -1.23 0.00 0.00 177.57 179.56 2pwm h GLY 127 N 0.82 0.19 1.04 5.19 0.00 -1.86 -0.54 103.07 107.90 2pwm h GLY 127 Ca 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 2pwm h GLY 127 CO 0.02 0.07 0.29 0.83 0.00 0.00 0.00 176.54 177.74 2pwm h GLU 128 N 0.18 1.13 -0.09 4.80 4.39 -1.49 0.16 114.58 123.66 2pwm h GLU 128 Ca 0.05 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 2pwm h GLU 128 Cb -0.02 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 2pwm h GLU 128 CO -0.01 0.93 0.03 0.82 -1.16 0.00 0.00 179.01 179.62 2pwm h ILE 129 N 1.09 1.17 -0.65 3.13 2.04 -0.96 -1.63 117.51 121.69 2pwm h ILE 129 Ca 0.25 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2pwm h ILE 129 Cb 0.23 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2pwm h ILE 129 CO -0.02 0.15 0.32 0.22 0.00 0.00 0.00 178.15 178.82 2pwm h TYR 130 N -0.04 0.93 -0.97 1.37 3.20 -0.91 -1.74 116.97 118.81 2pwm h TYR 130 Ca 0.03 -0.04 0.17 0.00 3.14 0.00 0.00 58.73 62.03 2pwm h TYR 130 Cb 0.21 -0.29 -0.10 0.00 1.54 0.00 0.00 36.73 38.08 2pwm h TYR 130 CO -0.01 0.69 0.57 0.87 -1.64 0.00 0.00 178.16 178.64 2pwm h LYS 131 N 0.90 0.73 -0.35 1.82 1.57 -0.90 0.12 116.57 120.45 2pwm h LYS 131 Ca 0.23 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2pwm h LYS 131 Cb 0.10 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2pwm h LYS 131 CO -0.03 0.48 0.17 -0.09 -0.57 0.00 0.00 179.45 179.42 2pwm h ARG 132 N 0.75 0.50 -0.60 3.15 9.65 -0.41 0.14 114.38 127.57 2pwm h ARG 132 Ca 0.54 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 59.33 2pwm h ARG 132 Cb 0.80 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.26 2pwm h ARG 132 CO -0.37 0.45 0.28 -1.49 2.80 0.00 0.00 179.97 181.64 2pwm h TRP 133 N 0.43 0.88 -0.19 2.20 6.55 -0.95 -0.54 115.95 124.33 2pwm h TRP 133 Ca 0.12 -0.05 0.03 0.00 0.95 0.00 0.00 58.89 59.94 2pwm h TRP 133 Cb 0.11 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 28.11 2pwm h TRP 133 CO -0.02 0.68 0.01 0.82 -1.05 0.00 0.00 178.44 178.88 2pwm h ILE 134 N 0.83 0.89 -0.98 1.49 2.04 -0.51 -1.61 117.51 119.64 2pwm h ILE 134 Ca 0.21 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 66.06 2pwm h ILE 134 Cb 0.14 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 2pwm h ILE 134 CO -0.02 0.01 0.65 0.40 0.00 0.00 0.00 178.15 179.19 2pwm h ILE 135 N 0.08 1.22 -0.47 -0.67 2.04 -0.48 0.25 117.51 119.47 2pwm h ILE 135 Ca 0.09 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.56 2pwm h ILE 135 Cb 0.10 -0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 35.93 2pwm h ILE 135 CO -0.13 0.24 0.16 0.25 0.00 0.00 0.00 178.15 178.67 2pwm h LEU 136 N 1.30 0.16 -0.29 1.44 5.85 -0.86 0.31 115.31 123.21 2pwm h LEU 136 Ca 0.37 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.14 2pwm h LEU 136 Cb -0.09 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2pwm h LEU 136 CO -0.10 0.12 0.15 1.23 -0.34 0.00 0.00 178.44 179.51 2pwm h GLY 137 N 0.33 0.45 0.98 3.75 0.00 -0.28 -2.87 103.07 105.43 2pwm h GLY 137 Ca 0.22 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.39 2pwm h GLY 137 CO -0.23 0.20 0.56 1.41 0.00 0.00 0.00 176.54 178.48 2pwm h LEU 138 N 0.34 0.88 -2.32 3.11 3.38 0.19 -1.50 115.31 119.40 2pwm h LEU 138 Ca 0.10 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2pwm h LEU 138 Cb 0.10 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2pwm h LEU 138 CO -0.01 0.59 -0.04 0.78 0.09 0.00 0.00 178.44 179.84 2pwm h ASN 139 N 1.01 0.00 0.07 -0.43 2.35 -0.21 0.12 115.58 118.49 2pwm h ASN 139 Ca 0.35 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.99 2pwm h ASN 139 Cb 0.11 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.49 2pwm h ASN 139 CO -0.12 0.04 -0.54 0.11 -1.65 0.00 0.00 177.43 175.28 2pwm h LYS 140 N 0.00 0.14 -0.92 0.81 1.57 -1.16 -3.37 116.57 113.63 2pwm h LYS 140 Ca -0.00 -0.24 0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2pwm h LYS 140 Cb 0.14 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 2pwm h LYS 140 CO 0.01 1.11 0.60 0.82 -0.57 0.00 0.00 179.45 181.41 2pwm h ILE 141 N -0.69 1.03 -0.03 1.86 5.03 -0.95 -2.82 117.51 120.93 2pwm h ILE 141 Ca -0.11 -0.34 0.01 0.00 -0.12 0.00 0.00 64.86 64.30 2pwm h ILE 141 Cb 1.34 -0.06 -0.00 0.00 -3.03 0.00 0.00 36.82 35.07 2pwm h ILE 141 CO 0.05 0.18 0.13 -0.37 -0.68 0.00 0.00 178.15 177.46 2pwm h VAL 142 N 1.00 0.12 0.00 1.67 -1.51 -0.92 0.13 116.25 116.74 2pwm h VAL 142 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.88 2pwm h VAL 142 Cb 0.29 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 2pwm h VAL 142 CO -0.17 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.71 2pwm n ARG 143 N -3.22 0.17 0.00 5.19 1.74 -1.06 -1.87 116.66 117.61 2pwm n ARG 143 Ca -0.02 0.47 0.13 0.00 -0.77 0.00 0.00 57.85 57.66 2pwm n ARG 143 Cb 0.20 -1.87 0.35 0.00 -1.02 0.00 0.00 32.46 30.12 2pwm n ARG 143 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2pwm n MET 144 N -2.19 0.45 0.00 5.56 2.81 0.45 -5.20 117.12 119.00 2pwm n MET 144 Ca 0.01 -0.25 0.00 0.00 -1.81 0.00 0.00 57.70 55.65 2pwm n MET 144 Cb 0.17 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 2pwm n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14