#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 2.04 0.13 0.52 1.01 -1.26 -0.90 121.20 122.74 2pwm s ILE 2 Ca 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.62 2pwm s ILE 2 Cb 0.00 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2pwm s ILE 2 CO 0.00 0.57 -0.08 0.68 0.00 0.00 0.00 174.94 176.11 2pwm s VAL 3 N -0.15 0.93 -0.06 2.92 -7.23 0.36 -4.91 120.40 112.27 2pwm s VAL 3 Ca -0.04 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 57.97 2pwm s VAL 3 Cb -0.14 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 2pwm s VAL 3 CO 0.04 -0.79 0.43 -1.58 -0.31 0.00 0.00 175.10 172.89 2pwm s GLN 4 N -3.80 4.13 0.67 4.82 0.74 -1.26 -0.41 119.66 124.54 2pwm s GLN 4 Ca 0.15 0.41 -0.04 0.00 0.05 0.00 0.00 55.36 55.93 2pwm s GLN 4 Cb 0.04 -3.32 0.14 0.00 1.10 0.00 0.00 33.01 30.96 2pwm s GLN 4 CO -0.02 0.44 0.91 0.27 -0.55 0.00 0.00 175.29 176.35 2pwm n ASN 5 N 2.70 0.87 0.20 6.67 0.23 -0.15 -4.92 115.26 120.86 2pwm n ASN 5 Ca -0.11 -1.82 0.15 0.00 -0.53 0.00 0.00 54.58 52.27 2pwm n ASN 5 Cb 0.52 -0.62 0.65 0.00 -2.08 0.00 0.00 39.78 38.25 2pwm n ASN 5 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2pwm h LEU 6 N 0.00 0.00 -0.13 -4.53 3.38 -1.98 -1.79 115.31 110.25 2pwm h LEU 6 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2pwm h LEU 6 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2pwm h LEU 6 CO 0.29 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 178.65 2pwm n GLN 7 N -2.59 0.38 -0.36 1.13 3.00 -1.26 -4.92 117.38 112.77 2pwm n GLN 7 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 2pwm n GLN 7 Cb 0.20 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.94 2pwm n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pwm n GLY 8 N 1.38 0.81 3.87 1.08 0.00 -0.67 -5.06 105.19 106.59 2pwm n GLY 8 Ca 0.11 0.00 -0.31 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 -0.64 3.24 -0.11 1.61 -1.52 -1.26 -4.83 119.66 116.15 2pwm s GLN 9 Ca 0.00 -0.53 -0.25 0.00 -1.95 0.00 0.00 55.36 52.63 2pwm s GLN 9 Cb 0.00 -2.93 -0.02 0.00 -0.22 0.00 0.00 33.01 29.84 2pwm s GLN 9 CO 0.00 0.59 0.80 -1.64 -0.25 0.00 0.00 175.29 174.79 2pwm s MET 10 N -2.48 4.38 0.10 2.91 -1.94 -1.26 -0.98 119.30 120.03 2pwm s MET 10 Ca 0.33 1.01 0.01 0.00 -1.71 0.00 0.00 55.69 55.33 2pwm s MET 10 Cb -0.13 -3.51 -0.04 0.00 2.01 0.00 0.00 34.83 33.16 2pwm s MET 10 CO 0.26 -0.15 -0.04 0.14 -0.01 0.00 0.00 175.02 175.23 2pwm s VAL 11 N 1.50 0.50 0.30 -6.03 -7.23 0.45 -4.95 120.40 104.94 2pwm s VAL 11 Ca 0.40 -1.90 -0.28 0.00 -1.81 0.00 0.00 61.98 58.39 2pwm s VAL 11 Cb -0.18 -1.72 -0.09 0.00 0.56 0.00 0.00 36.38 34.95 2pwm s VAL 11 CO 0.17 -0.83 1.02 -2.28 -0.31 0.00 0.00 175.10 172.86 2pwm s HIS 12 N -3.76 3.66 -0.06 2.82 2.46 -1.26 -0.48 115.29 118.67 2pwm s HIS 12 Ca 0.13 1.77 0.05 0.00 0.47 0.00 0.00 55.06 57.47 2pwm s HIS 12 Cb 0.06 -3.10 -0.00 0.00 -0.13 0.00 0.00 32.58 29.41 2pwm s HIS 12 CO -0.05 -0.14 -0.20 -1.14 -2.47 0.00 0.00 174.74 170.74 2pwm s GLN 13 N -1.68 2.22 0.71 2.88 0.74 -0.08 -4.81 119.66 119.64 2pwm s GLN 13 Ca 0.47 -0.73 -0.12 0.00 0.05 0.00 0.00 55.36 55.03 2pwm s GLN 13 Cb -0.26 -1.85 0.02 0.00 1.10 0.00 0.00 33.01 32.02 2pwm s GLN 13 CO 0.33 0.25 1.08 0.00 -0.55 0.00 0.00 175.29 176.40 2pwm s ALA 14 N 0.09 2.46 0.24 1.58 0.00 -1.26 -0.18 121.76 124.69 2pwm s ALA 14 Ca -0.07 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 2pwm s ALA 14 Cb -0.14 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 19.58 2pwm s ALA 14 CO 0.04 -1.42 1.19 -0.89 0.00 0.00 0.00 175.76 174.68 2pwm n ILE 15 N -3.01 1.38 -1.85 0.00 5.41 -1.26 -4.57 119.36 115.46 2pwm n ILE 15 Ca 0.09 -0.34 -0.31 0.00 1.00 0.00 0.00 62.75 63.18 2pwm n ILE 15 Cb 0.53 -1.13 0.02 0.00 -0.71 0.00 0.00 39.64 38.34 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 -0.14 6.05 0.22 4.38 1.04 -1.26 -4.85 113.70 119.15 2pwm s SER 16 Ca 0.65 1.49 -0.14 0.00 0.48 0.00 0.00 55.95 58.43 2pwm s SER 16 Cb -0.72 -2.48 0.26 0.00 0.10 0.00 0.00 66.02 63.17 2pwm s SER 16 CO 0.55 -0.99 1.60 -0.65 0.98 0.00 0.00 173.24 174.73 2pwm h PRO 17 N -0.29 -0.04 -0.46 4.02 0.11 -1.99 -1.55 132.00 131.81 2pwm h PRO 17 Ca -0.44 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.76 2pwm h PRO 17 Cb 1.20 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 2pwm h PRO 17 CO 0.61 -0.03 -0.19 0.00 -0.21 0.00 0.00 178.00 178.17 2pwm h ARG 18 N -0.04 -0.09 -0.25 1.05 3.08 -1.99 0.14 114.38 116.28 2pwm h ARG 18 Ca 0.33 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 2pwm h ARG 18 Cb 0.55 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2pwm h ARG 18 CO -0.75 -0.06 -0.05 1.15 -1.07 0.00 0.00 179.97 179.18 2pwm h THR 19 N -0.10 1.28 -0.38 2.04 2.02 -1.88 -1.97 112.91 113.93 2pwm h THR 19 Ca 0.22 -1.05 -0.09 0.00 0.77 0.00 0.00 66.41 66.26 2pwm h THR 19 Cb 0.44 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2pwm h THR 19 CO -0.53 0.33 -0.13 0.25 0.37 0.00 0.00 175.52 175.81 2pwm h LEU 20 N 0.22 0.77 -0.43 2.58 5.85 -1.10 -1.67 115.31 121.54 2pwm h LEU 20 Ca 0.06 -0.38 0.09 0.00 0.84 0.00 0.00 57.88 58.49 2pwm h LEU 20 Cb 0.51 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 2pwm h LEU 20 CO 0.02 0.98 -0.21 0.78 -0.34 0.00 0.00 178.44 179.67 2pwm h ASN 21 N 0.56 -0.71 -0.58 1.25 2.35 -0.75 -1.60 115.58 116.10 2pwm h ASN 21 Ca 0.09 0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.95 2pwm h ASN 21 Cb 0.66 0.38 -0.03 0.00 0.05 0.00 0.00 38.32 39.39 2pwm h ASN 21 CO 0.05 -0.24 0.18 0.00 -1.65 0.00 0.00 177.43 175.77 2pwm h ALA 22 N 1.16 1.16 -0.44 -0.83 0.00 -1.11 -1.52 119.26 117.66 2pwm h ALA 22 Ca 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2pwm h ALA 22 Cb 0.44 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2pwm h ALA 22 CO -0.51 0.58 0.10 2.35 0.00 0.00 0.00 179.25 181.77 2pwm h TRP 23 N 0.91 0.75 -0.95 0.00 2.91 -0.77 -0.70 115.95 118.10 2pwm h TRP 23 Ca 0.20 -0.09 0.02 0.00 1.13 0.00 0.00 58.89 60.15 2pwm h TRP 23 Cb 0.28 -0.21 -0.05 0.00 -0.51 0.00 0.00 29.16 28.67 2pwm h TRP 23 CO 0.02 0.70 0.63 0.28 -1.03 0.00 0.00 178.44 179.04 2pwm h VAL 24 N 0.58 1.20 -0.58 2.65 2.07 -1.10 -0.13 116.25 120.95 2pwm h VAL 24 Ca 0.14 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2pwm h VAL 24 Cb 0.34 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 2pwm h VAL 24 CO 0.00 0.23 0.08 0.11 0.02 0.00 0.00 177.57 178.01 2pwm h LYS 25 N 1.25 0.97 -0.38 1.57 1.57 -0.94 -0.20 116.57 120.40 2pwm h LYS 25 Ca 0.36 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2pwm h LYS 25 Cb -0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2pwm h LYS 25 CO -0.10 0.93 0.21 0.28 -0.57 0.00 0.00 179.45 180.20 2pwm h VAL 26 N 0.87 1.15 -0.11 0.50 2.07 -0.81 -1.61 116.25 118.31 2pwm h VAL 26 Ca 0.17 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.30 2pwm h VAL 26 Cb 0.44 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2pwm h VAL 26 CO 0.01 0.16 0.05 0.58 0.02 0.00 0.00 177.57 178.39 2pwm h VAL 27 N 0.49 0.99 -0.87 2.57 2.07 -0.79 0.16 116.25 120.88 2pwm h VAL 27 Ca 0.13 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.71 2pwm h VAL 27 Cb 0.07 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 2pwm h VAL 27 CO -0.02 0.02 0.52 -0.33 0.02 0.00 0.00 177.57 177.78 2pwm h GLU 28 N 0.11 0.86 0.06 1.57 4.39 -0.91 -1.76 114.58 118.90 2pwm h GLU 28 Ca 0.04 -0.05 -0.29 0.00 0.34 0.00 0.00 59.36 59.40 2pwm h GLU 28 Cb 0.01 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2pwm h GLU 28 CO -0.04 0.57 -1.51 1.49 -1.16 0.00 0.00 179.01 178.37 2pwm h GLU 29 N 0.89 0.14 0.00 2.33 4.81 -1.12 -3.43 114.58 118.19 2pwm h GLU 29 Ca 0.41 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2pwm h GLU 29 Cb 0.32 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2pwm h GLU 29 CO -0.23 0.93 -0.07 1.63 -0.73 0.00 0.00 179.01 180.54 2pwm n LYS 30 N -3.33 4.49 -2.10 1.92 5.02 0.56 -5.04 118.16 119.68 2pwm n LYS 30 Ca -0.14 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.73 2pwm n LYS 30 Cb 1.03 -0.40 -0.03 0.00 -0.02 0.00 0.00 35.03 35.61 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 -0.76 3.63 -0.45 7.82 0.00 -0.67 0.01 121.76 131.34 2pwm s ALA 31 Ca 0.00 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.13 2pwm s ALA 31 Cb 0.00 -3.61 0.40 0.00 0.00 0.00 0.00 23.12 19.91 2pwm s ALA 31 CO 0.00 -0.86 0.99 1.19 0.00 0.00 0.00 175.76 177.08 2pwm n PHE 32 N 4.88 2.86 -0.92 0.00 3.72 -1.26 -5.01 117.46 121.72 2pwm n PHE 32 Ca 0.13 -3.40 -0.31 0.00 -0.05 0.00 0.00 57.45 53.82 2pwm n PHE 32 Cb 0.42 -0.29 0.14 0.00 -0.94 0.00 0.00 39.48 38.81 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 -3.32 3.49 0.47 4.37 1.04 0.10 -4.13 113.70 115.71 2pwm s SER 33 Ca 0.44 2.01 0.24 0.00 0.48 0.00 0.00 55.95 59.13 2pwm s SER 33 Cb 0.37 -2.53 1.28 0.00 0.10 0.00 0.00 66.02 65.24 2pwm s SER 33 CO -0.12 -2.71 1.86 -0.65 0.98 0.00 0.00 173.24 172.59 2pwm h PRO 34 N -1.60 0.21 0.00 4.02 0.11 -1.85 -0.27 132.00 132.61 2pwm h PRO 34 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2pwm h PRO 34 Cb 1.26 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pwm h PRO 34 CO 0.46 0.14 -0.05 0.93 -0.21 0.00 0.00 178.00 179.26 2pwm h GLU 35 N 0.21 0.00 -0.10 1.05 3.07 -1.90 -2.30 114.58 114.61 2pwm h GLU 35 Ca 0.47 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.31 2pwm h GLU 35 Cb 1.48 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.39 2pwm h GLU 35 CO -0.11 0.05 -0.02 -0.24 -1.40 0.00 0.00 179.01 177.29 2pwm h VAL 36 N 0.00 1.08 0.17 3.13 3.04 -1.25 -3.34 116.25 119.08 2pwm h VAL 36 Ca -0.00 -0.31 -0.01 0.00 -1.01 0.00 0.00 66.70 65.37 2pwm h VAL 36 Cb 0.15 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2pwm h VAL 36 CO 0.01 0.10 -0.08 0.40 -1.01 0.00 0.00 177.57 176.99 2pwm h ILE 37 N 0.13 0.96 -0.99 3.17 2.04 -1.59 0.11 117.51 121.33 2pwm h ILE 37 Ca 0.03 -0.83 0.20 0.00 1.00 0.00 0.00 64.86 65.26 2pwm h ILE 37 Cb 0.13 1.44 -0.10 0.00 -0.74 0.00 0.00 36.82 37.55 2pwm h ILE 37 CO 0.00 0.18 0.62 -0.65 0.00 0.00 0.00 178.15 178.30 2pwm h PRO 38 N -0.65 0.64 -0.30 2.37 0.11 -1.76 -0.11 132.00 132.30 2pwm h PRO 38 Ca -0.02 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 2pwm h PRO 38 Cb 0.48 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 2pwm h PRO 38 CO 0.04 0.42 -0.00 0.52 -0.21 0.00 0.00 178.00 178.77 2pwm h MET 39 N 0.66 0.52 -0.31 1.05 2.86 -1.56 -2.22 114.93 115.93 2pwm h MET 39 Ca 0.56 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 58.01 2pwm h MET 39 Cb 1.02 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2pwm h MET 39 CO -0.34 0.67 0.11 0.35 1.06 0.00 0.00 176.91 178.76 2pwm h PHE 40 N 0.31 0.49 -0.75 -0.22 3.57 -0.17 -0.74 116.94 119.43 2pwm h PHE 40 Ca 0.08 -0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.70 2pwm h PHE 40 Cb 0.44 -0.14 -0.11 0.00 2.79 0.00 0.00 35.95 38.93 2pwm h PHE 40 CO 0.04 0.49 0.21 0.77 -2.23 0.00 0.00 178.31 177.58 2pwm h SER 41 N 0.34 0.08 -0.00 0.41 0.02 -0.97 -0.74 113.55 112.69 2pwm h SER 41 Ca 0.10 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2pwm h SER 41 Cb 0.22 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2pwm h SER 41 CO -0.01 -0.01 -0.13 0.00 -1.14 0.00 0.00 176.83 175.54 2pwm h ALA 42 N 1.61 0.02 0.00 3.77 0.00 -1.26 -3.22 119.26 120.18 2pwm h ALA 42 Ca 0.43 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2pwm h ALA 42 Cb 0.72 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2pwm h ALA 42 CO -0.50 -0.00 -0.17 -0.07 0.00 0.00 0.00 179.25 178.51 2pwm h LEU 43 N -0.62 0.00 -0.50 0.00 3.38 -0.98 -2.14 115.31 114.45 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 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2pwm h LEU 43 CO 0.03 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 177.19 2pwm n SER 44 N -4.05 0.77 -4.65 -0.43 3.41 -0.30 -4.95 113.62 103.42 2pwm n SER 44 Ca -0.02 -1.38 -0.49 0.00 -0.26 0.00 0.00 58.87 56.72 2pwm n SER 44 Cb 0.25 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 2pwm n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pwm n GLU 45 N -0.35 1.82 -0.97 4.33 -0.58 -0.81 -1.63 120.64 122.45 2pwm n GLU 45 Ca 0.19 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.59 2pwm n GLU 45 Cb 0.21 -2.40 0.00 0.00 -0.57 0.00 0.00 31.44 28.68 2pwm n GLU 45 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pwm n GLY 46 N 3.34 0.83 3.78 0.62 0.00 -1.26 -5.01 105.19 107.49 2pwm n GLY 46 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.41 3.01 0.69 4.61 0.00 -0.65 -4.24 121.76 121.78 2pwm s ALA 47 Ca 0.00 0.80 -0.10 0.00 0.00 0.00 0.00 51.96 52.66 2pwm s ALA 47 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2pwm s ALA 47 CO 0.00 -0.44 1.06 0.95 0.00 0.00 0.00 175.76 177.33 2pwm s THR 48 N -1.64 3.31 0.31 0.00 -4.23 -1.26 -4.40 115.64 107.73 2pwm s THR 48 Ca 0.62 0.28 0.07 0.00 -1.18 0.00 0.00 61.69 61.48 2pwm s THR 48 Cb -0.25 -3.40 0.30 0.00 1.34 0.00 0.00 72.50 70.50 2pwm s THR 48 CO 0.30 -0.49 1.74 -0.65 -0.54 0.00 0.00 174.62 174.98 2pwm h PRO 49 N -0.58 0.60 -0.36 3.99 0.11 -1.85 -0.86 132.00 133.05 2pwm h PRO 49 Ca -0.45 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.66 2pwm h PRO 49 Cb 1.27 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2pwm h PRO 49 CO 0.63 0.40 0.16 0.37 -0.21 0.00 0.00 178.00 179.35 2pwm h GLN 50 N 0.62 0.32 -0.78 1.05 4.15 -1.90 -0.30 115.11 118.27 2pwm h GLN 50 Ca 0.61 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.98 2pwm h GLN 50 Cb 1.08 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 2pwm h GLN 50 CO -0.45 0.21 0.38 -0.44 -1.93 0.00 0.00 178.83 176.60 2pwm h ASP 51 N 0.33 1.02 -0.52 -0.69 3.32 -1.72 -1.95 116.42 116.21 2pwm h ASP 51 Ca 0.16 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.09 2pwm h ASP 51 Cb 0.10 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 2pwm h ASP 51 CO -0.13 0.86 0.34 -0.07 -1.72 0.00 0.00 179.24 178.52 2pwm h LEU 52 N 1.10 0.57 -1.35 1.55 3.38 -0.75 -1.11 115.31 118.71 2pwm h LEU 52 Ca 0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2pwm h LEU 52 Cb 0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2pwm h LEU 52 CO -0.03 0.41 0.34 0.78 0.09 0.00 0.00 178.44 180.02 2pwm h ASN 53 N 0.68 0.69 -0.27 -0.43 -0.26 -0.77 -1.36 115.58 113.86 2pwm h ASN 53 Ca 0.19 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.88 2pwm h ASN 53 Cb -0.06 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.02 2pwm h ASN 53 CO -0.05 0.54 0.11 0.74 -1.06 0.00 0.00 177.43 177.70 2pwm h THR 54 N 0.79 1.17 -0.50 2.81 2.02 -0.87 0.06 112.91 118.39 2pwm h THR 54 Ca 0.21 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 66.90 2pwm h THR 54 Cb -0.02 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 2pwm h THR 54 CO -0.04 0.18 0.26 0.24 0.37 0.00 0.00 175.52 176.53 2pwm h MET 55 N 0.28 0.50 -0.35 6.66 2.86 -0.85 -2.64 114.93 121.39 2pwm h MET 55 Ca 0.09 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 2pwm h MET 55 Cb 0.18 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2pwm h MET 55 CO -0.01 0.33 -0.21 -0.07 1.06 0.00 0.00 176.91 178.01 2pwm h LEU 56 N 0.51 0.69 -0.19 1.22 3.38 -1.03 -2.98 115.31 116.92 2pwm h LEU 56 Ca 0.22 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pwm h LEU 56 Cb 0.11 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2pwm h LEU 56 CO -0.14 0.89 0.00 0.59 0.09 0.00 0.00 178.44 179.87 2pwm n ASN 57 N -4.12 0.29 -0.18 -0.43 3.02 -0.01 -2.66 115.26 111.16 2pwm n ASN 57 Ca 0.00 -1.33 0.12 0.00 -0.03 0.00 0.00 54.58 53.34 2pwm n ASN 57 Cb 0.41 -0.01 0.18 0.00 -0.61 0.00 0.00 39.78 39.75 2pwm n ASN 57 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2pwm n THR 58 N -0.66 0.00 -2.18 3.41 -2.24 -1.01 -4.90 114.28 106.69 2pwm n THR 58 Ca 0.18 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 2pwm n THR 58 Cb 0.13 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.73 3.87 0.09 2.28 1.01 -1.09 -5.00 120.40 118.83 2pwm s VAL 59 Ca 0.16 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.23 2pwm s VAL 59 Cb 0.18 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2pwm s VAL 59 CO 0.65 -0.11 0.08 -0.83 0.00 0.00 0.00 175.10 174.88 2pwm s GLY 60 N 2.87 1.98 0.00 4.51 0.00 -1.26 -4.94 107.32 110.48 2pwm s GLY 60 Ca 0.66 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2pwm s GLY 60 CO 0.24 -1.03 0.00 0.61 0.00 0.00 0.00 173.10 172.92 2pwm n GLY 61 N 0.39 -0.18 3.49 0.20 0.00 -1.26 -4.94 105.19 102.89 2pwm n GLY 61 Ca -0.09 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 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 0.74 -0.74 -0.18 1.61 8.25 -1.26 -4.77 115.22 118.88 2pwm n HIS 62 Ca 0.00 0.39 -0.07 0.00 -0.26 0.00 0.00 57.72 57.78 2pwm n HIS 62 Cb 0.00 -1.45 0.02 0.00 1.12 0.00 0.00 29.99 29.68 2pwm n HIS 62 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2pwm h GLN 63 N -0.62 0.70 -0.55 -0.41 4.20 -1.95 -0.96 115.11 115.51 2pwm h GLN 63 Ca -0.38 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 2pwm h GLN 63 Cb 0.85 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 2pwm h GLN 63 CO 0.48 0.50 0.29 0.00 -0.67 0.00 0.00 178.83 179.43 2pwm h ALA 64 N 1.15 0.71 -0.69 3.87 0.00 -2.00 -1.65 119.26 120.65 2pwm h ALA 64 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2pwm h ALA 64 Cb -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2pwm h ALA 64 CO -0.04 0.25 0.15 0.00 0.00 0.00 0.00 179.25 179.62 2pwm h ALA 65 N 1.12 0.92 -0.58 0.00 0.00 -1.88 -2.26 119.26 116.58 2pwm h ALA 65 Ca 0.19 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2pwm h ALA 65 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2pwm h ALA 65 CO -0.03 0.66 0.04 0.52 0.00 0.00 0.00 179.25 180.44 2pwm h MET 66 N 1.06 0.98 -0.61 0.00 2.07 -0.91 0.04 114.93 117.56 2pwm h MET 66 Ca 0.21 -0.27 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 2pwm h MET 66 Cb 0.40 -0.11 -0.03 0.00 -1.87 0.00 0.00 31.60 29.99 2pwm h MET 66 CO 0.01 0.94 0.34 0.37 1.07 0.00 0.00 176.91 179.63 2pwm h GLN 67 N 0.91 0.85 -0.28 1.72 5.75 -1.19 -1.24 115.11 121.63 2pwm h GLN 67 Ca 0.17 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2pwm h GLN 67 Cb 0.47 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 2pwm h GLN 67 CO 0.02 0.64 0.04 1.98 -2.65 0.00 0.00 178.83 178.86 2pwm h MET 68 N 0.83 0.48 -0.32 1.69 4.05 -1.02 -1.34 114.93 119.29 2pwm h MET 68 Ca 0.22 -0.13 0.06 0.00 -0.28 0.00 0.00 59.70 59.56 2pwm h MET 68 Cb 0.04 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 2pwm h MET 68 CO -0.04 0.59 -0.02 1.25 0.23 0.00 0.00 176.91 178.92 2pwm h LEU 69 N 0.29 -0.18 -0.38 3.39 5.85 -0.87 -0.51 115.31 122.90 2pwm h LEU 69 Ca 0.09 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2pwm h LEU 69 Cb 0.35 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 2pwm h LEU 69 CO 0.01 -0.05 0.12 0.50 -0.34 0.00 0.00 178.44 178.68 2pwm h LYS 70 N 0.06 0.26 -0.42 1.25 3.64 -1.08 -0.51 116.57 119.78 2pwm h LYS 70 Ca 0.15 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2pwm h LYS 70 Cb 0.22 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2pwm h LYS 70 CO -0.28 0.17 0.19 0.93 -2.27 0.00 0.00 179.45 178.19 2pwm h GLU 71 N 0.27 0.37 -0.77 1.90 5.08 -0.78 -0.88 114.58 119.76 2pwm h GLU 71 Ca 0.18 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2pwm h GLU 71 Cb 0.17 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2pwm h GLU 71 CO -0.19 0.24 0.51 1.15 -1.00 0.00 0.00 179.01 179.72 2pwm h THR 72 N 0.38 1.20 -0.44 1.13 2.02 -0.67 -1.14 112.91 115.38 2pwm h THR 72 Ca 0.19 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2pwm h THR 72 Cb 0.13 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 2pwm h THR 72 CO -0.15 0.20 0.18 0.40 0.37 0.00 0.00 175.52 176.51 2pwm h ILE 73 N 1.05 1.20 -0.64 3.11 2.04 -0.70 -1.55 117.51 122.03 2pwm h ILE 73 Ca 0.28 -0.61 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 2pwm h ILE 73 Cb -0.11 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2pwm h ILE 73 CO -0.06 0.23 0.04 0.78 0.00 0.00 0.00 178.15 179.14 2pwm h ASN 74 N 0.57 1.06 -0.58 1.72 2.35 -0.78 -0.07 115.58 119.86 2pwm h ASN 74 Ca 0.15 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2pwm h ASN 74 Cb 0.18 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 2pwm h ASN 74 CO -0.01 1.09 0.37 -0.08 -1.65 0.00 0.00 177.43 177.15 2pwm h GLU 75 N 1.00 0.73 -0.73 0.81 4.81 -1.13 -1.88 114.58 118.19 2pwm h GLU 75 Ca 0.19 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2pwm h GLU 75 Cb 0.51 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2pwm h GLU 75 CO 0.02 0.49 0.23 0.93 -0.73 0.00 0.00 179.01 179.95 2pwm h GLU 76 N 0.76 1.14 -0.35 1.92 4.39 -0.93 -1.78 114.58 119.72 2pwm h GLU 76 Ca 0.22 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2pwm h GLU 76 Cb -0.05 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 2pwm h GLU 76 CO -0.06 0.97 0.18 0.00 -1.16 0.00 0.00 179.01 178.93 2pwm h ALA 77 N 1.12 0.45 -0.50 3.43 0.00 -0.87 0.56 119.26 123.45 2pwm h ALA 77 Ca 0.24 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2pwm h ALA 77 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2pwm h ALA 77 CO -0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 179.25 179.13 2pwm h ALA 78 N 1.03 0.88 -0.36 0.00 0.00 -1.30 -2.85 119.26 116.67 2pwm h ALA 78 Ca 0.12 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2pwm h ALA 78 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2pwm h ALA 78 CO -0.02 0.64 -0.18 0.93 0.00 0.00 0.00 179.25 180.63 2pwm h GLU 79 N 0.82 0.66 -0.59 0.00 4.39 -1.17 -2.86 114.58 115.83 2pwm h GLU 79 Ca 0.13 -0.23 0.10 0.00 0.34 0.00 0.00 59.36 59.70 2pwm h GLU 79 Cb 0.63 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.16 2pwm h GLU 79 CO 0.04 0.80 0.15 2.35 -1.16 0.00 0.00 179.01 181.20 2pwm h TRP 80 N 0.59 0.25 -0.24 4.33 2.91 -0.67 -0.91 115.95 122.20 2pwm h TRP 80 Ca 0.09 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.14 2pwm h TRP 80 Cb 0.63 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.25 2pwm h TRP 80 CO 0.03 0.01 0.14 -0.44 -1.03 0.00 0.00 178.44 177.15 2pwm h ASP 81 N 0.30 0.30 -0.94 2.65 3.32 -1.29 -0.08 116.42 120.67 2pwm h ASP 81 Ca 0.30 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.33 2pwm h ASP 81 Cb 0.43 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 2pwm h ASP 81 CO -0.37 0.28 0.62 -0.09 -1.72 0.00 0.00 179.24 177.96 2pwm h ARG 82 N 0.30 1.13 -0.00 3.56 2.43 -1.30 -2.84 114.38 117.65 2pwm h ARG 82 Ca 0.09 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2pwm h ARG 82 Cb 0.04 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 2pwm h ARG 82 CO -0.02 0.75 -0.28 1.28 -1.51 0.00 0.00 179.97 180.19 2pwm n LEU 83 N -4.45 0.49 -3.36 3.80 4.77 -0.38 -4.39 117.00 113.48 2pwm n LEU 83 Ca 0.13 0.05 -0.26 0.00 -0.03 0.00 0.00 56.01 55.90 2pwm n LEU 83 Cb 0.12 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 2pwm n LEU 83 CO 0.34 0.10 -0.13 1.41 -1.33 0.00 0.00 177.39 177.78 2pwm n HIS 84 N -1.24 1.41 -2.03 -1.77 8.25 -0.08 -5.07 115.22 114.69 2pwm n HIS 84 Ca 0.09 -3.83 -0.40 0.00 -0.26 0.00 0.00 57.72 53.32 2pwm n HIS 84 Cb 0.33 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.59 4.00 0.22 -0.41 0.02 -1.24 -4.78 135.00 131.23 2pwm s PRO 85 Ca 0.36 2.20 0.02 0.00 0.02 0.00 0.00 61.00 63.60 2pwm s PRO 85 Cb 0.13 -2.80 -0.05 0.00 0.02 0.00 0.00 34.50 31.80 2pwm s PRO 85 CO -0.09 -0.48 0.04 0.14 -0.33 0.00 0.00 177.00 176.29 2pwm s VAL 86 N -1.23 0.71 0.79 3.83 -7.23 -1.26 -5.16 120.40 110.84 2pwm s VAL 86 Ca 0.56 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.62 2pwm s VAL 86 Cb -0.39 -2.39 0.06 0.00 0.56 0.00 0.00 36.38 34.22 2pwm s VAL 86 CO 0.51 -0.24 1.09 -1.00 -0.31 0.00 0.00 175.10 175.14 2pwm s HIS 87 N -3.64 2.78 0.46 2.82 3.76 -1.26 -4.95 115.29 115.26 2pwm s HIS 87 Ca 0.31 1.28 0.17 0.00 -0.15 0.00 0.00 55.06 56.67 2pwm s HIS 87 Cb 0.07 -3.06 1.15 0.00 1.11 0.00 0.00 32.58 31.84 2pwm s HIS 87 CO 0.09 -1.76 1.99 0.00 -0.85 0.00 0.00 174.74 174.21 2pwm h ALA 88 N -1.09 2.16 -3.86 -1.40 0.00 -2.06 -3.44 119.26 109.58 2pwm h ALA 88 Ca -0.46 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 2pwm h ALA 88 Cb 1.25 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2pwm h ALA 88 CO 0.57 -0.30 -0.21 0.41 0.00 0.00 0.00 179.25 179.72 2pwm n GLY 89 N -1.55 3.22 3.77 0.00 0.00 -1.26 -5.14 105.19 104.22 2pwm n GLY 89 Ca 0.10 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.66 4.07 -0.03 1.61 0.04 -1.26 -4.97 135.00 131.80 2pwm s PRO 90 Ca 0.20 1.88 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 2pwm s PRO 90 Cb 0.01 -2.71 -0.22 0.00 0.04 0.00 0.00 34.50 31.62 2pwm s PRO 90 CO 0.14 -0.31 1.10 0.82 0.04 0.00 0.00 177.00 178.79 2pwm h ILE 91 N 2.38 1.50 -3.55 0.56 1.08 -1.98 -3.43 117.51 114.08 2pwm h ILE 91 Ca -0.49 -1.79 -0.52 0.00 -0.39 0.00 0.00 64.86 61.67 2pwm h ILE 91 Cb 1.23 2.58 -0.03 0.00 -3.07 0.00 0.00 36.82 37.54 2pwm h ILE 91 CO 0.63 0.50 0.30 -1.61 -0.69 0.00 0.00 178.15 177.27 2pwm s GLU 92 N -3.39 4.66 0.20 2.37 0.41 -1.26 -5.03 118.70 116.65 2pwm s GLU 92 Ca -0.15 1.34 -0.31 0.00 -0.41 0.00 0.00 54.97 55.43 2pwm s GLU 92 Cb 0.02 -3.35 -0.10 0.00 -1.78 0.00 0.00 34.13 28.91 2pwm s GLU 92 CO 0.74 0.29 1.52 -2.14 -0.49 0.00 0.00 175.26 175.18 2pwm s PRO 93 N -0.23 4.23 0.00 0.39 0.02 -1.26 -2.67 135.00 135.47 2pwm s PRO 93 Ca 0.43 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.80 2pwm s PRO 93 Cb -0.23 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2pwm s PRO 93 CO 0.28 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 2pwm n GLY 94 N 3.11 0.39 3.77 0.52 0.00 -1.26 -5.01 105.19 106.70 2pwm n GLY 94 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.70 4.23 -0.26 1.61 0.74 -1.09 -4.93 119.66 119.26 2pwm s GLN 95 Ca 0.00 1.85 -0.28 0.00 0.05 0.00 0.00 55.36 56.98 2pwm s GLN 95 Cb 0.00 -2.83 -0.05 0.00 1.10 0.00 0.00 33.01 31.23 2pwm s GLN 95 CO 0.00 -0.17 2.25 1.41 -0.55 0.00 0.00 175.29 178.23 2pwm s MET 96 N -2.06 2.97 0.54 1.67 -2.45 -1.26 -4.91 119.30 113.80 2pwm s MET 96 Ca 0.53 1.93 -0.22 0.00 -1.25 0.00 0.00 55.69 56.69 2pwm s MET 96 Cb -0.31 -4.41 -0.05 0.00 1.25 0.00 0.00 34.83 31.31 2pwm s MET 96 CO 0.40 -2.29 1.32 -0.98 1.05 0.00 0.00 175.02 174.52 2pwm s ARG 97 N 6.65 3.19 0.35 4.11 1.70 -1.26 -5.00 118.95 128.68 2pwm s ARG 97 Ca 1.00 2.14 -0.28 0.00 -0.47 0.00 0.00 55.73 58.13 2pwm s ARG 97 Cb -0.31 -2.24 -0.10 0.00 -0.57 0.00 0.00 34.95 31.74 2pwm s ARG 97 CO 0.34 -1.12 1.25 -1.21 -1.08 0.00 0.00 175.30 173.47 2pwm s GLU 98 N -2.92 4.28 0.48 3.89 0.41 -1.26 -5.00 118.70 118.58 2pwm s GLU 98 Ca 0.71 2.08 -0.22 0.00 -0.41 0.00 0.00 54.97 57.13 2pwm s GLU 98 Cb -0.38 -2.97 -0.07 0.00 -1.78 0.00 0.00 34.13 28.93 2pwm s GLU 98 CO 0.45 -0.20 1.19 -1.25 -0.49 0.00 0.00 175.26 174.95 2pwm s PRO 99 N -1.90 3.62 0.58 0.39 0.04 -1.26 -5.05 135.00 131.42 2pwm s PRO 99 Ca 0.51 1.82 0.05 0.00 0.04 0.00 0.00 61.00 63.43 2pwm s PRO 99 Cb -0.37 -2.34 0.07 0.00 0.04 0.00 0.00 34.50 31.90 2pwm s PRO 99 CO 0.48 -0.68 0.80 1.03 0.04 0.00 0.00 177.00 178.67 2pwm s ARG 100 N -2.79 2.28 0.22 4.56 1.81 -1.26 -4.95 118.95 118.82 2pwm s ARG 100 Ca 0.66 -1.29 -0.09 0.00 -1.72 0.00 0.00 55.73 53.29 2pwm s ARG 100 Cb -0.30 -2.56 0.22 0.00 -0.45 0.00 0.00 34.95 31.86 2pwm s ARG 100 CO 0.36 -0.87 1.85 0.78 -0.68 0.00 0.00 175.30 176.74 2pwm h GLY 101 N 0.07 1.10 1.94 -3.53 0.00 -1.93 -1.42 103.07 99.30 2pwm h GLY 101 Ca -0.35 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 2pwm h GLY 101 CO 0.43 0.30 -0.08 1.48 0.00 0.00 0.00 176.54 178.67 2pwm h SER 102 N 0.92 0.07 -0.14 0.19 4.64 -1.96 -0.76 113.55 116.51 2pwm h SER 102 Ca 0.31 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 2pwm h SER 102 Cb 0.03 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2pwm h SER 102 CO -0.12 0.17 0.03 0.44 -0.87 0.00 0.00 176.83 176.48 2pwm h ASP 103 N 0.08 0.22 -0.79 4.97 3.32 -1.63 -0.42 116.42 122.16 2pwm h ASP 103 Ca 0.02 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2pwm h ASP 103 Cb 0.20 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 2pwm h ASP 103 CO 0.01 0.40 0.51 0.40 -1.72 0.00 0.00 179.24 178.84 2pwm h ILE 104 N 0.03 1.21 0.00 0.35 2.04 -0.82 -1.91 117.51 118.41 2pwm h ILE 104 Ca 0.04 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2pwm h ILE 104 Cb 0.27 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 2pwm h ILE 104 CO 0.00 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.36 2pwm n ALA 105 N -2.33 2.29 -0.83 1.87 0.00 -0.34 -4.62 120.51 116.55 2pwm n ALA 105 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2pwm n ALA 105 Cb 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 0.73 0.75 0.08 0.00 0.00 -0.72 -4.89 105.19 101.14 2pwm n GLY 106 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 1.34 -0.00 2.61 1.35 -1.33 -3.37 112.91 113.51 2pwm h THR 107 Ca 0.00 -3.01 0.00 0.00 -0.55 0.00 0.00 66.41 62.85 2pwm h THR 107 Cb 0.00 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2pwm h THR 107 CO 0.00 0.76 -0.05 0.35 -0.25 0.00 0.00 175.52 176.34 2pwm n THR 108 N -3.24 0.00 -4.00 6.82 -2.24 -0.86 -5.01 114.28 105.75 2pwm n THR 108 Ca -0.04 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 2pwm n THR 108 Cb 0.92 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 70.17 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 -0.64 5.88 0.56 3.42 1.04 -1.26 -4.88 113.70 117.82 2pwm s SER 109 Ca 0.04 0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.43 2pwm s SER 109 Cb 0.04 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.42 2pwm s SER 109 CO 0.09 0.18 1.03 0.42 0.98 0.00 0.00 173.24 175.93 2pwm s THR 110 N -1.42 4.10 0.26 2.02 -4.23 -1.26 -4.93 115.64 110.17 2pwm s THR 110 Ca 0.31 1.01 -0.03 0.00 -1.18 0.00 0.00 61.69 61.80 2pwm s THR 110 Cb -0.12 -3.52 0.26 0.00 1.34 0.00 0.00 72.50 70.46 2pwm s THR 110 CO 0.24 -0.57 1.67 0.25 -0.54 0.00 0.00 174.62 175.67 2pwm h LEU 111 N 0.67 -0.02 -1.03 4.79 5.85 -1.99 -0.83 115.31 122.74 2pwm h LEU 111 Ca -0.47 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2pwm h LEU 111 Cb 1.21 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 2pwm h LEU 111 CO 0.59 -0.08 0.51 -0.61 -0.34 0.00 0.00 178.44 178.51 2pwm h GLN 112 N 0.24 1.17 -0.51 1.25 5.75 -1.99 -1.86 115.11 119.16 2pwm h GLN 112 Ca 0.46 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.73 2pwm h GLN 112 Cb 0.82 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 2pwm h GLN 112 CO -0.57 0.83 -0.12 0.93 -2.65 0.00 0.00 178.83 177.26 2pwm h GLU 113 N 1.19 0.99 -0.42 1.69 5.08 -1.73 -0.23 114.58 121.14 2pwm h GLU 113 Ca 0.31 -0.37 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2pwm h GLU 113 Cb -0.03 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 2pwm h GLU 113 CO -0.06 1.05 0.08 1.96 -1.00 0.00 0.00 179.01 181.05 2pwm h GLN 114 N 0.85 0.21 -0.29 2.33 4.20 -0.85 -0.57 115.11 120.99 2pwm h GLN 114 Ca 0.13 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 2pwm h GLN 114 Cb 0.68 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2pwm h GLN 114 CO 0.05 0.14 -0.26 0.82 -0.67 0.00 0.00 178.83 178.91 2pwm h ILE 115 N 0.22 1.27 -0.22 2.54 1.08 -1.17 -1.24 117.51 119.99 2pwm h ILE 115 Ca 0.20 -1.33 -0.03 0.00 -0.39 0.00 0.00 64.86 63.32 2pwm h ILE 115 Cb 0.25 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 2pwm h ILE 115 CO -0.26 0.43 0.03 1.23 -0.69 0.00 0.00 178.15 178.89 2pwm h GLY 116 N 1.01 0.40 0.87 5.37 0.00 -0.47 -1.04 103.07 109.22 2pwm h GLY 116 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2pwm h GLY 116 CO 0.06 0.25 -0.11 1.49 0.00 0.00 0.00 176.54 178.22 2pwm h TRP 117 N 0.17 -0.29 0.00 5.60 6.55 -0.90 -1.66 115.95 125.42 2pwm h TRP 117 Ca 0.07 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.90 2pwm h TRP 117 Cb 0.33 0.11 -0.00 0.00 -0.86 0.00 0.00 29.16 28.74 2pwm h TRP 117 CO 0.02 -0.18 -0.02 0.52 -1.05 0.00 0.00 178.44 177.73 2pwm h MET 118 N -0.26 0.00 -0.37 0.49 2.86 -1.02 -0.44 114.93 116.20 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 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2pwm h MET 118 CO -0.02 0.02 0.00 0.25 1.06 0.00 0.00 176.91 178.22 2pwm n THR 119 N -4.46 0.82 -0.85 2.22 -2.24 -0.41 -4.62 114.28 104.73 2pwm n THR 119 Ca -0.03 -0.91 -0.32 0.00 -2.27 0.00 0.00 64.05 60.52 2pwm n THR 119 Cb 0.11 0.64 0.15 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.03 1.75 -0.33 4.78 5.04 -0.63 -4.90 115.29 119.97 2pwm s HIS 120 Ca 0.27 1.75 -0.02 0.00 -1.54 0.00 0.00 55.06 55.52 2pwm s HIS 120 Cb 0.15 -3.35 0.06 0.00 0.04 0.00 0.00 32.58 29.48 2pwm s HIS 120 CO 0.20 -2.73 0.06 1.21 -2.34 0.00 0.00 174.74 171.14 2pwm s ASN 121 N -2.60 5.01 0.63 9.88 2.47 -1.26 -1.25 114.94 127.81 2pwm s ASN 121 Ca 0.68 -1.47 -0.09 0.00 0.42 0.00 0.00 52.86 52.39 2pwm s ASN 121 Cb -0.24 -1.75 -0.01 0.00 -1.45 0.00 0.00 41.25 37.80 2pwm s ASN 121 CO 0.56 -0.34 1.00 -2.16 -3.72 0.00 0.00 177.10 172.44 2pwm s PRO 122 N 1.23 3.19 0.42 0.43 0.04 -1.26 -5.09 135.00 133.96 2pwm s PRO 122 Ca -0.01 0.43 -0.26 0.00 0.04 0.00 0.00 61.00 61.20 2pwm s PRO 122 Cb -0.20 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 2pwm s PRO 122 CO -0.02 -0.72 1.34 -2.14 0.04 0.00 0.00 177.00 175.50 2pwm s PRO 123 N -5.16 3.87 -0.65 0.56 0.02 -0.38 -4.98 135.00 128.28 2pwm s PRO 123 Ca 0.55 2.24 -0.13 0.00 0.02 0.00 0.00 61.00 63.68 2pwm s PRO 123 Cb -0.11 -2.72 0.17 0.00 0.02 0.00 0.00 34.50 31.86 2pwm s PRO 123 CO 0.50 -0.60 0.58 0.42 -0.33 0.00 0.00 177.00 177.57 2pwm s ILE 124 N -1.25 5.08 -1.41 2.83 1.01 -0.21 -4.98 121.20 122.28 2pwm s ILE 124 Ca 0.58 -2.06 -0.15 0.00 0.00 0.00 0.00 60.65 59.02 2pwm s ILE 124 Cb -0.40 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 37.90 2pwm s ILE 124 CO 0.51 -0.92 2.09 -0.81 0.00 0.00 0.00 174.94 175.81 2pwm n PRO 125 N 4.53 2.93 0.21 2.79 -0.04 -1.26 -3.23 135.00 140.93 2pwm n PRO 125 Ca -0.00 -2.78 0.05 0.00 -0.04 0.00 0.00 63.50 60.73 2pwm n PRO 125 Cb 0.43 -3.35 0.47 0.00 -0.04 0.00 0.00 33.50 31.01 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 4.45 1.13 -0.38 0.52 -1.51 -1.89 -0.34 116.25 118.24 2pwm h VAL 126 Ca 0.53 -0.84 -0.07 0.00 -1.23 0.00 0.00 66.70 65.09 2pwm h VAL 126 Cb 0.71 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 2pwm h VAL 126 CO 1.77 0.24 -0.02 1.23 -1.23 0.00 0.00 177.57 179.56 2pwm h GLY 127 N 0.77 0.74 1.05 5.19 0.00 -1.85 -1.21 103.07 107.76 2pwm h GLY 127 Ca -0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 2pwm h GLY 127 CO 0.03 0.51 0.24 0.83 0.00 0.00 0.00 176.54 178.15 2pwm h GLU 128 N 0.50 1.14 -0.17 4.80 4.39 -1.60 -0.36 114.58 123.28 2pwm h GLU 128 Ca 0.10 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 2pwm h GLU 128 Cb 0.50 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2pwm h GLU 128 CO 0.02 0.97 0.01 0.82 -1.16 0.00 0.00 179.01 179.67 2pwm h ILE 129 N 1.09 1.24 -0.29 3.13 2.04 -1.04 -1.71 117.51 121.97 2pwm h ILE 129 Ca 0.24 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.35 2pwm h ILE 129 Cb 0.29 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 2pwm h ILE 129 CO -0.01 0.24 -0.06 0.22 0.00 0.00 0.00 178.15 178.54 2pwm h TYR 130 N 0.06 -0.13 -0.96 1.37 3.20 -1.10 -1.95 116.97 117.46 2pwm h TYR 130 Ca 0.05 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.07 2pwm h TYR 130 Cb 0.35 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.64 2pwm h TYR 130 CO 0.03 -0.11 0.59 0.87 -1.64 0.00 0.00 178.16 177.90 2pwm h LYS 131 N 0.02 0.88 -0.44 1.82 1.57 -0.97 -0.15 116.57 119.31 2pwm h LYS 131 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2pwm h LYS 131 Cb 0.21 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2pwm h LYS 131 CO -0.29 0.59 0.25 -0.09 -0.57 0.00 0.00 179.45 179.34 2pwm h ARG 132 N 0.91 0.60 -0.69 3.15 2.43 -0.66 0.10 114.38 120.23 2pwm h ARG 132 Ca 0.49 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.61 2pwm h ARG 132 Cb 0.52 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 2pwm h ARG 132 CO -0.28 0.46 0.45 -1.49 -1.51 0.00 0.00 179.97 177.60 2pwm h TRP 133 N 0.57 0.85 -0.42 2.20 6.55 -0.56 -1.22 115.95 123.93 2pwm h TRP 133 Ca 0.16 0.02 0.01 0.00 0.95 0.00 0.00 58.89 60.03 2pwm h TRP 133 Cb 0.02 -0.29 -0.02 0.00 -0.86 0.00 0.00 29.16 28.01 2pwm h TRP 133 CO -0.03 0.53 0.27 0.82 -1.05 0.00 0.00 178.44 178.97 2pwm h ILE 134 N 0.91 1.08 -0.45 1.49 2.04 -0.73 -1.59 117.51 120.27 2pwm h ILE 134 Ca 0.26 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 2pwm h ILE 134 Cb -0.08 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2pwm h ILE 134 CO -0.07 0.10 0.08 0.40 0.00 0.00 0.00 178.15 178.66 2pwm h ILE 135 N 0.54 1.21 -0.56 -0.67 2.04 -0.50 0.19 117.51 119.76 2pwm h ILE 135 Ca 0.16 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2pwm h ILE 135 Cb -0.04 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2pwm h ILE 135 CO -0.05 0.28 0.32 0.25 0.00 0.00 0.00 178.15 178.95 2pwm h LEU 136 N 0.66 0.69 -0.39 1.44 6.46 -0.85 0.17 115.31 123.49 2pwm h LEU 136 Ca 0.15 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2pwm h LEU 136 Cb 0.30 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 2pwm h LEU 136 CO 0.00 0.57 0.15 1.23 -0.62 0.00 0.00 178.44 179.77 2pwm h GLY 137 N 0.75 0.63 0.51 3.75 0.00 -0.66 -2.83 103.07 105.21 2pwm h GLY 137 Ca 0.20 -0.34 0.12 0.00 0.00 0.00 0.00 47.33 47.30 2pwm h GLY 137 CO -0.03 0.32 0.63 1.41 0.00 0.00 0.00 176.54 178.87 2pwm h LEU 138 N 0.48 0.93 -1.51 3.11 3.38 -0.12 -1.30 115.31 120.27 2pwm h LEU 138 Ca 0.13 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2pwm h LEU 138 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2pwm h LEU 138 CO -0.01 0.50 -0.25 0.78 0.09 0.00 0.00 178.44 179.55 2pwm h ASN 139 N 1.00 0.00 -0.07 -0.43 2.35 -0.46 0.15 115.58 118.11 2pwm h ASN 139 Ca 0.49 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.20 2pwm h ASN 139 Cb 0.46 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 2pwm h ASN 139 CO -0.25 0.25 -0.10 0.50 -1.65 0.00 0.00 177.43 176.18 2pwm h LYS 140 N 0.00 0.19 0.00 0.81 3.64 -1.18 -3.34 116.57 116.70 2pwm h LYS 140 Ca -0.00 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 2pwm h LYS 140 Cb 0.45 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2pwm h LYS 140 CO 0.03 0.67 -0.43 0.82 -2.27 0.00 0.00 179.45 178.27 2pwm h ILE 141 N -0.27 1.16 0.00 2.00 2.04 -0.82 -2.95 117.51 118.67 2pwm h ILE 141 Ca 0.01 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.30 2pwm h ILE 141 Cb 0.66 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 2pwm h ILE 141 CO 0.02 0.42 0.07 -0.37 0.00 0.00 0.00 178.15 178.30 2pwm h VAL 142 N 0.00 0.00 -0.04 1.67 -1.51 -1.10 -1.45 116.25 113.82 2pwm h VAL 142 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.41 2pwm h VAL 142 Cb 0.85 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 2pwm h VAL 142 CO 0.06 0.00 -0.24 0.03 -1.23 0.00 0.00 177.57 176.19 2pwm h ARG 143 N 0.00 0.07 0.00 5.19 3.08 -1.73 -1.50 114.38 119.50 2pwm h ARG 143 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2pwm h ARG 143 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2pwm h ARG 143 CO 0.00 0.31 0.00 -1.33 -1.07 0.00 0.00 179.97 177.88 2pwm n MET 144 N -4.23 0.03 0.00 0.04 2.81 -0.55 -5.20 117.12 110.02 2pwm n MET 144 Ca -0.02 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 2pwm n MET 144 Cb 0.31 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2pwm n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14