#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 3.37 0.05 4.25 -4.36 -1.26 0.24 121.20 123.48 2pwm s ILE 2 Ca 0.00 -0.58 0.03 0.00 -0.26 0.00 0.00 60.65 59.84 2pwm s ILE 2 Cb 0.00 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.30 2pwm s ILE 2 CO 0.00 0.56 -0.11 0.54 0.24 0.00 0.00 174.94 176.18 2pwm s VAL 3 N -0.30 0.80 -0.15 8.37 0.11 0.97 -4.81 120.40 125.39 2pwm s VAL 3 Ca 0.03 -1.10 -0.27 0.00 -2.93 0.00 0.00 61.98 57.71 2pwm s VAL 3 Cb -0.13 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 2pwm s VAL 3 CO 0.03 -0.26 0.90 -1.58 -3.33 0.00 0.00 175.10 170.86 2pwm s GLN 4 N -1.51 4.34 1.00 1.54 0.74 -1.26 -1.26 119.66 123.25 2pwm s GLN 4 Ca -0.05 1.17 -0.16 0.00 0.05 0.00 0.00 55.36 56.36 2pwm s GLN 4 Cb -0.09 -3.56 0.21 0.00 1.10 0.00 0.00 33.01 30.67 2pwm s GLN 4 CO 0.01 -0.33 1.30 0.54 -0.55 0.00 0.00 175.29 176.26 2pwm s ASN 5 N 1.12 2.80 0.38 6.67 2.20 0.39 -4.90 114.94 123.60 2pwm s ASN 5 Ca 0.42 0.31 0.13 0.00 -0.94 0.00 0.00 52.86 52.78 2pwm s ASN 5 Cb -0.17 -0.37 0.94 0.00 -2.00 0.00 0.00 41.25 39.65 2pwm s ASN 5 CO 0.14 -2.93 1.85 -0.07 -2.94 0.00 0.00 177.10 173.15 2pwm h LEU 6 N -1.78 0.55 0.00 3.54 3.38 -1.97 -1.47 115.31 117.55 2pwm h LEU 6 Ca -0.44 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2pwm h LEU 6 Cb 1.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2pwm h LEU 6 CO 0.37 0.24 0.00 0.00 0.09 0.00 0.00 178.44 179.14 2pwm n GLN 7 N -4.56 0.94 -0.74 1.13 3.00 -1.26 -4.85 117.38 111.03 2pwm n GLN 7 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2pwm n GLN 7 Cb 0.60 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 29.46 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 0.77 0.61 3.88 1.08 0.00 -0.55 -5.04 105.19 105.93 2pwm n GLY 8 Ca 0.17 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.53 3.56 -0.38 1.61 -0.21 -1.26 -4.84 119.66 117.62 2pwm s GLN 9 Ca 0.00 -0.05 -0.22 0.00 0.02 0.00 0.00 55.36 55.10 2pwm s GLN 9 Cb 0.00 -3.13 0.01 0.00 1.00 0.00 0.00 33.01 30.89 2pwm s GLN 9 CO 0.00 0.70 0.74 -1.64 -2.12 0.00 0.00 175.29 172.97 2pwm s MET 10 N -1.46 3.66 0.33 2.91 -1.94 -1.26 -0.46 119.30 121.08 2pwm s MET 10 Ca 0.23 0.16 0.05 0.00 -1.71 0.00 0.00 55.69 54.42 2pwm s MET 10 Cb -0.13 -3.83 -0.07 0.00 2.01 0.00 0.00 34.83 32.81 2pwm s MET 10 CO 0.12 -0.86 0.01 0.14 -0.01 0.00 0.00 175.02 174.42 2pwm s VAL 11 N 3.01 1.51 0.24 -6.03 -7.23 -0.39 -4.91 120.40 106.60 2pwm s VAL 11 Ca 0.29 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.11 2pwm s VAL 11 Cb -0.13 -2.73 -0.14 0.00 0.56 0.00 0.00 36.38 33.94 2pwm s VAL 11 CO 0.17 -0.10 1.29 1.57 -0.31 0.00 0.00 175.10 177.73 2pwm n HIS 12 N -0.71 1.87 -5.09 2.82 -0.00 -1.26 -0.02 115.22 112.82 2pwm n HIS 12 Ca -0.04 0.53 -0.28 0.00 -0.00 0.00 0.00 57.72 57.93 2pwm n HIS 12 Cb 0.66 -2.39 -0.16 0.00 -0.00 0.00 0.00 29.99 28.10 2pwm n HIS 12 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2pwm s GLN 13 N -0.69 1.89 0.83 1.57 -2.07 0.65 -4.65 119.66 117.20 2pwm s GLN 13 Ca 0.67 -0.79 -0.13 0.00 -1.82 0.00 0.00 55.36 53.29 2pwm s GLN 13 Cb -0.69 -1.77 0.07 0.00 -1.09 0.00 0.00 33.01 29.52 2pwm s GLN 13 CO 0.53 0.44 1.03 0.00 -1.32 0.00 0.00 175.29 175.97 2pwm n ALA 14 N 2.65 -0.58 -1.62 2.60 0.00 -1.26 -4.71 120.51 117.58 2pwm n ALA 14 Ca -0.16 -0.38 -0.59 0.00 0.00 0.00 0.00 53.44 52.31 2pwm n ALA 14 Cb 0.52 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 17.75 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 -3.36 0.05 -2.43 0.00 0.00 -1.26 -4.89 119.36 107.47 2pwm n ILE 15 Ca 0.12 -0.01 -0.29 0.00 0.00 0.00 0.00 62.75 62.57 2pwm n ILE 15 Cb 0.51 -0.52 -0.01 0.00 0.00 0.00 0.00 39.64 39.62 2pwm n ILE 15 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2pwm s SER 16 N 1.43 6.33 0.24 9.51 1.04 -1.26 -4.87 113.70 126.12 2pwm s SER 16 Ca 0.94 1.16 -0.08 0.00 0.48 0.00 0.00 55.95 58.46 2pwm s SER 16 Cb -1.21 -2.35 0.40 0.00 0.10 0.00 0.00 66.02 62.96 2pwm s SER 16 CO 0.62 -0.63 1.65 -0.65 0.98 0.00 0.00 173.24 175.20 2pwm h PRO 17 N 0.31 0.12 -0.50 4.02 0.11 -1.99 -0.52 132.00 133.55 2pwm h PRO 17 Ca -0.46 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2pwm h PRO 17 Cb 1.20 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2pwm h PRO 17 CO 0.62 0.08 0.32 0.00 -0.21 0.00 0.00 178.00 178.81 2pwm h ARG 18 N 0.13 0.62 -0.42 1.05 3.08 -1.99 0.12 114.38 116.97 2pwm h ARG 18 Ca 0.39 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 2pwm h ARG 18 Cb 0.67 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2pwm h ARG 18 CO -0.61 0.41 0.24 1.15 -1.07 0.00 0.00 179.97 180.10 2pwm h THR 19 N 0.64 1.14 -0.43 2.04 2.02 -1.75 -2.26 112.91 114.31 2pwm h THR 19 Ca 0.19 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 2pwm h THR 19 Cb -0.03 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2pwm h THR 19 CO -0.06 0.14 -0.15 -0.07 0.37 0.00 0.00 175.52 175.75 2pwm h LEU 20 N 0.55 0.80 -0.00 2.58 3.38 -0.84 -1.37 115.31 120.41 2pwm h LEU 20 Ca 0.15 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2pwm h LEU 20 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2pwm h LEU 20 CO -0.03 0.95 -0.06 -1.13 0.09 0.00 0.00 178.44 178.26 2pwm h ASN 21 N 0.71 -0.17 -0.69 -0.43 -1.24 -0.88 -0.45 115.58 112.43 2pwm h ASN 21 Ca 0.11 0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.19 2pwm h ASN 21 Cb 0.65 0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.72 2pwm h ASN 21 CO 0.05 -0.09 0.41 0.00 -1.29 0.00 0.00 177.43 176.50 2pwm h ALA 22 N 0.89 0.91 -0.68 1.57 0.00 -1.24 -2.32 119.26 118.40 2pwm h ALA 22 Ca 0.03 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2pwm h ALA 22 Cb 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2pwm h ALA 22 CO -0.06 0.13 0.43 2.35 0.00 0.00 0.00 179.25 182.10 2pwm h TRP 23 N 0.78 0.81 -0.31 0.00 -0.00 -0.89 -0.11 115.95 116.23 2pwm h TRP 23 Ca 0.29 0.02 -0.09 0.00 -0.00 0.00 0.00 58.89 59.12 2pwm h TRP 23 Cb 0.10 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 28.98 2pwm h TRP 23 CO -0.06 0.48 -0.18 -0.39 -0.00 0.00 0.00 178.44 178.29 2pwm h VAL 24 N 0.86 1.25 -0.62 2.65 -1.51 -0.89 -0.07 116.25 117.92 2pwm h VAL 24 Ca 0.26 -1.17 -0.07 0.00 -1.23 0.00 0.00 66.70 64.49 2pwm h VAL 24 Cb -0.03 1.22 -0.03 0.00 -2.13 0.00 0.00 31.29 30.32 2pwm h VAL 24 CO -0.09 0.38 0.10 0.11 -1.23 0.00 0.00 177.57 176.84 2pwm h LYS 25 N 0.50 1.02 -0.36 5.19 1.57 -1.02 -0.00 116.57 123.47 2pwm h LYS 25 Ca 0.08 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 2pwm h LYS 25 Cb 0.60 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2pwm h LYS 25 CO 0.04 0.93 0.02 0.28 -0.57 0.00 0.00 179.45 180.16 2pwm h VAL 26 N 0.95 1.25 -0.22 0.50 2.07 -0.66 -1.60 116.25 118.55 2pwm h VAL 26 Ca 0.19 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2pwm h VAL 26 Cb 0.41 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2pwm h VAL 26 CO 0.01 0.31 0.13 0.58 0.02 0.00 0.00 177.57 178.62 2pwm h VAL 27 N 0.44 1.11 -0.77 2.57 2.07 -0.72 0.61 116.25 121.56 2pwm h VAL 27 Ca 0.10 -0.28 0.18 0.00 0.82 0.00 0.00 66.70 67.52 2pwm h VAL 27 Cb 0.42 0.89 -0.12 0.00 -1.52 0.00 0.00 31.29 30.96 2pwm h VAL 27 CO 0.01 0.10 0.17 -0.33 0.02 0.00 0.00 177.57 177.55 2pwm h GLU 28 N 0.26 0.24 0.01 1.57 5.08 -0.87 -1.89 114.58 118.98 2pwm h GLU 28 Ca 0.08 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.10 2pwm h GLU 28 Cb 0.06 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2pwm h GLU 28 CO -0.01 0.16 -1.93 -1.91 -1.00 0.00 0.00 179.01 174.32 2pwm n GLU 29 N -5.19 0.66 0.00 2.33 2.13 -0.61 -4.74 120.64 115.22 2pwm n GLU 29 Ca 0.16 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.19 2pwm n GLU 29 Cb 0.51 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.51 2pwm n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2pwm n LYS 30 N -3.03 5.57 -2.15 5.31 5.02 0.21 -5.04 118.16 124.06 2pwm n LYS 30 Ca -0.23 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.64 2pwm n LYS 30 Cb 1.07 -0.42 -0.03 0.00 -0.02 0.00 0.00 35.03 35.64 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 -0.83 3.60 -0.50 7.82 0.00 -0.72 0.15 121.76 131.29 2pwm s ALA 31 Ca 0.00 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.12 2pwm s ALA 31 Cb 0.00 -3.57 0.36 0.00 0.00 0.00 0.00 23.12 19.92 2pwm s ALA 31 CO 0.00 -0.73 0.94 1.19 0.00 0.00 0.00 175.76 177.16 2pwm n PHE 32 N 4.40 3.03 -0.99 0.00 3.72 -1.26 -5.02 117.46 121.34 2pwm n PHE 32 Ca 0.12 -3.72 -0.31 0.00 -0.05 0.00 0.00 57.45 53.49 2pwm n PHE 32 Cb 0.42 -0.39 0.13 0.00 -0.94 0.00 0.00 39.48 38.70 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 -3.27 3.69 0.40 4.37 1.04 0.12 -4.02 113.70 116.04 2pwm s SER 33 Ca 0.46 2.03 0.18 0.00 0.48 0.00 0.00 55.95 59.10 2pwm s SER 33 Cb 0.33 -2.55 1.10 0.00 0.10 0.00 0.00 66.02 65.00 2pwm s SER 33 CO -0.13 -2.58 1.78 -0.65 0.98 0.00 0.00 173.24 172.64 2pwm h PRO 34 N -1.46 0.38 0.00 4.02 0.11 -1.86 -0.93 132.00 132.27 2pwm h PRO 34 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pwm h PRO 34 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2pwm h PRO 34 CO 0.46 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 178.90 2pwm n GLU 35 N -4.61 0.12 0.11 1.05 1.02 -1.26 -2.04 120.64 115.03 2pwm n GLU 35 Ca 0.25 0.61 -0.03 0.00 -0.02 0.00 0.00 57.16 57.97 2pwm n GLU 35 Cb 0.87 -1.89 0.15 0.00 -0.02 0.00 0.00 31.44 30.55 2pwm n GLU 35 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2pwm h VAL 36 N 0.00 1.41 0.02 2.62 3.04 -1.38 -3.36 116.25 118.61 2pwm h VAL 36 Ca 0.00 -2.04 -0.00 0.00 -1.01 0.00 0.00 66.70 63.65 2pwm h VAL 36 Cb 0.01 2.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2pwm h VAL 36 CO 0.00 0.59 -0.01 0.40 -1.01 0.00 0.00 177.57 177.54 2pwm h ILE 37 N 0.09 1.19 -0.50 3.17 2.04 -1.60 -0.27 117.51 121.63 2pwm h ILE 37 Ca -0.01 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.27 2pwm h ILE 37 Cb 1.10 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 2pwm h ILE 37 CO 0.09 0.17 0.33 -0.65 0.00 0.00 0.00 178.15 178.09 2pwm h PRO 38 N -0.30 0.41 0.02 2.37 0.11 -1.76 -0.62 132.00 132.22 2pwm h PRO 38 Ca -0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2pwm h PRO 38 Cb 0.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2pwm h PRO 38 CO 0.00 0.27 -0.01 0.52 -0.21 0.00 0.00 178.00 178.58 2pwm h MET 39 N 0.42 -0.02 -0.54 1.05 2.86 -1.63 -1.65 114.93 115.42 2pwm h MET 39 Ca 0.22 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.97 2pwm h MET 39 Cb 0.32 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.88 2pwm h MET 39 CO -0.06 0.68 -0.13 0.35 1.06 0.00 0.00 176.91 178.82 2pwm h PHE 40 N -0.77 -0.27 -0.53 -0.22 3.57 -0.85 0.79 116.94 118.67 2pwm h PHE 40 Ca -0.00 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2pwm h PHE 40 Cb 0.72 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.60 2pwm h PHE 40 CO 0.18 -0.22 0.18 1.03 -2.23 0.00 0.00 178.31 177.24 2pwm h SER 41 N 0.01 0.17 0.20 0.41 0.87 -1.04 0.50 113.55 114.67 2pwm h SER 41 Ca 0.26 0.07 -0.26 0.00 -1.23 0.00 0.00 61.79 60.63 2pwm h SER 41 Cb 0.39 0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2pwm h SER 41 CO -0.55 0.12 -1.07 0.00 -0.53 0.00 0.00 176.83 174.80 2pwm h ALA 42 N 1.37 0.18 0.00 6.23 0.00 -1.02 -3.11 119.26 122.90 2pwm h ALA 42 Ca 0.26 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2pwm h ALA 42 Cb 0.30 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2pwm h ALA 42 CO -0.27 0.75 -0.31 -0.07 0.00 0.00 0.00 179.25 179.35 2pwm h LEU 43 N 0.29 0.00 -1.88 0.00 3.38 -0.50 -2.49 115.31 114.11 2pwm h LEU 43 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pwm h LEU 43 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2pwm h LEU 43 CO 0.20 0.31 0.00 -1.54 0.09 0.00 0.00 178.44 177.50 2pwm n SER 44 N -3.71 2.73 -4.70 -0.43 3.41 0.14 -4.93 113.62 106.13 2pwm n SER 44 Ca -0.01 -2.00 -0.44 0.00 -0.26 0.00 0.00 58.87 56.17 2pwm n SER 44 Cb 0.41 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.00 2.44 -0.82 4.33 2.13 -0.94 -1.25 120.64 127.53 2pwm n GLU 45 Ca 0.17 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.87 2pwm n GLU 45 Cb 0.43 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.49 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 3.11 1.24 3.77 8.31 0.00 -1.26 -5.00 105.19 115.36 2pwm n GLY 46 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.68 3.38 0.74 4.61 0.00 -0.38 -4.91 121.76 121.52 2pwm s ALA 47 Ca 0.00 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 2pwm s ALA 47 Cb 0.00 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.67 2pwm s ALA 47 CO 0.00 -0.73 1.09 0.95 0.00 0.00 0.00 175.76 177.07 2pwm s THR 48 N -1.21 3.37 0.31 0.00 -4.23 -1.26 -4.39 115.64 108.23 2pwm s THR 48 Ca 0.53 0.44 0.08 0.00 -1.18 0.00 0.00 61.69 61.56 2pwm s THR 48 Cb -0.39 -3.31 0.31 0.00 1.34 0.00 0.00 72.50 70.45 2pwm s THR 48 CO 0.51 -0.58 1.75 -0.65 -0.54 0.00 0.00 174.62 175.11 2pwm h PRO 49 N -0.84 0.66 -0.68 3.99 0.11 -1.85 -1.04 132.00 132.34 2pwm h PRO 49 Ca -0.46 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.64 2pwm h PRO 49 Cb 1.26 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 2pwm h PRO 49 CO 0.61 0.43 0.43 0.37 -0.21 0.00 0.00 178.00 179.64 2pwm h GLN 50 N 0.68 0.83 -0.67 1.05 4.15 -1.91 0.35 115.11 119.58 2pwm h GLN 50 Ca 0.61 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.90 2pwm h GLN 50 Cb 1.06 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.53 2pwm h GLN 50 CO -0.43 0.55 0.10 -0.44 -1.93 0.00 0.00 178.83 176.68 2pwm h ASP 51 N 0.86 1.07 -0.51 -0.69 3.32 -1.73 -2.30 116.42 116.43 2pwm h ASP 51 Ca 0.27 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2pwm h ASP 51 Cb -0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2pwm h ASP 51 CO -0.10 1.07 0.26 -0.07 -1.72 0.00 0.00 179.24 178.68 2pwm h LEU 52 N 1.04 0.65 -1.50 1.55 3.38 -0.91 -0.52 115.31 118.99 2pwm h LEU 52 Ca 0.20 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2pwm h LEU 52 Cb 0.46 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2pwm h LEU 52 CO 0.02 0.57 -0.11 0.78 0.09 0.00 0.00 178.44 179.79 2pwm h ASN 53 N 0.67 0.18 -0.17 -0.43 -0.26 -0.76 0.38 115.58 115.19 2pwm h ASN 53 Ca 0.18 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 2pwm h ASN 53 Cb 0.08 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 2pwm h ASN 53 CO -0.03 0.31 0.06 0.74 -1.06 0.00 0.00 177.43 177.45 2pwm h THR 54 N 0.19 1.18 -0.43 2.81 2.02 -0.84 -0.69 112.91 117.15 2pwm h THR 54 Ca 0.04 -0.56 0.06 0.00 0.77 0.00 0.00 66.41 66.72 2pwm h THR 54 Cb 0.31 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 2pwm h THR 54 CO 0.02 0.17 0.14 0.24 0.37 0.00 0.00 175.52 176.46 2pwm h MET 55 N 0.11 0.29 -0.55 6.66 2.86 -0.69 -1.58 114.93 122.03 2pwm h MET 55 Ca 0.06 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2pwm h MET 55 Cb 0.22 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2pwm h MET 55 CO -0.00 0.19 0.13 -0.07 1.06 0.00 0.00 176.91 178.22 2pwm h LEU 56 N 0.30 0.79 -0.75 1.22 3.38 -0.71 -2.81 115.31 116.73 2pwm h LEU 56 Ca 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2pwm h LEU 56 Cb 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2pwm h LEU 56 CO -0.21 0.78 0.00 0.59 0.09 0.00 0.00 178.44 179.68 2pwm n ASN 57 N -4.27 1.12 -1.06 -0.43 4.13 -0.28 -3.11 115.26 111.36 2pwm n ASN 57 Ca 0.04 -1.63 0.12 0.00 1.68 0.00 0.00 54.58 54.79 2pwm n ASN 57 Cb 0.23 -0.07 0.23 0.00 -1.54 0.00 0.00 39.78 38.62 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 -0.03 0.41 -2.70 3.41 -2.24 -0.65 -4.88 114.28 107.59 2pwm n THR 58 Ca 0.15 -0.67 -0.43 0.00 -2.27 0.00 0.00 64.05 60.84 2pwm n THR 58 Cb 0.24 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.59 4.74 -0.19 2.28 1.01 -1.18 -4.98 120.40 120.49 2pwm s VAL 59 Ca 0.37 1.98 -0.12 0.00 0.00 0.00 0.00 61.98 64.21 2pwm s VAL 59 Cb 0.22 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2pwm s VAL 59 CO 0.31 -0.10 0.22 -0.83 0.00 0.00 0.00 175.10 174.71 2pwm s GLY 60 N 1.17 2.11 0.00 4.51 0.00 -1.26 -4.92 107.32 108.93 2pwm s GLY 60 Ca 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.57 2pwm s GLY 60 CO 0.11 0.35 0.00 0.61 0.00 0.00 0.00 173.10 174.17 2pwm n GLY 61 N 3.59 -1.44 3.17 0.20 0.00 -1.26 -4.96 105.19 104.48 2pwm n GLY 61 Ca -0.13 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.23 2pwm n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pwm n HIS 62 N 0.00 -2.08 -0.26 1.61 -0.00 -1.26 -4.86 115.22 108.36 2pwm n HIS 62 Ca 0.00 0.59 -0.01 0.00 -0.00 0.00 0.00 57.72 58.30 2pwm n HIS 62 Cb 0.00 -4.37 0.11 0.00 -0.00 0.00 0.00 29.99 25.72 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 -1.54 0.81 -0.26 -0.41 7.50 -1.96 -0.95 115.11 118.30 2pwm h GLN 63 Ca -0.53 -0.05 0.05 0.00 0.50 0.00 0.00 58.65 58.63 2pwm h GLN 63 Cb 1.36 -0.18 -0.05 0.00 0.05 0.00 0.00 27.48 28.65 2pwm h GLN 63 CO 0.57 0.54 -0.08 0.00 -1.50 0.00 0.00 178.83 178.35 2pwm h ALA 64 N 1.35 0.15 -0.58 3.87 0.00 -2.00 -1.58 119.26 120.47 2pwm h ALA 64 Ca 0.32 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.37 2pwm h ALA 64 Cb 0.13 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2pwm h ALA 64 CO -0.15 -0.48 0.33 0.00 0.00 0.00 0.00 179.25 178.94 2pwm h ALA 65 N 1.23 0.76 0.00 0.00 0.00 -1.68 -1.58 119.26 117.98 2pwm h ALA 65 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2pwm h ALA 65 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2pwm h ALA 65 CO -0.29 0.03 -0.31 0.52 0.00 0.00 0.00 179.25 179.20 2pwm h MET 66 N 0.64 0.00 -0.08 0.00 2.07 -0.77 0.39 114.93 117.18 2pwm h MET 66 Ca 0.25 0.00 -0.20 0.00 -2.07 0.00 0.00 59.70 57.67 2pwm h MET 66 Cb 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.83 2pwm h MET 66 CO -0.14 0.31 -0.79 0.37 1.07 0.00 0.00 176.91 177.74 2pwm h GLN 67 N 0.00 0.53 -0.54 1.72 5.75 -0.80 -1.80 115.11 119.97 2pwm h GLN 67 Ca -0.00 -0.45 -0.06 0.00 -0.15 0.00 0.00 58.65 57.99 2pwm h GLN 67 Cb 0.74 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 2pwm h GLN 67 CO 0.04 1.08 0.11 0.52 -2.65 0.00 0.00 178.83 177.94 2pwm h MET 68 N 0.35 0.87 -0.39 1.69 2.86 -0.48 -2.12 114.93 117.71 2pwm h MET 68 Ca -0.05 -0.22 0.07 0.00 -2.06 0.00 0.00 59.70 57.44 2pwm h MET 68 Cb 1.39 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.88 2pwm h MET 68 CO 0.14 0.84 -0.01 1.25 1.06 0.00 0.00 176.91 180.19 2pwm h LEU 69 N 0.77 -0.19 -0.87 1.22 5.85 -0.85 -0.55 115.31 120.69 2pwm h LEU 69 Ca 0.17 0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.00 2pwm h LEU 69 Cb 0.37 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2pwm h LEU 69 CO 0.01 -0.06 0.57 0.50 -0.34 0.00 0.00 178.44 179.12 2pwm h LYS 70 N 0.09 1.10 -0.58 1.25 3.64 -1.11 -0.19 116.57 120.78 2pwm h LYS 70 Ca 0.19 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2pwm h LYS 70 Cb 0.27 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2pwm h LYS 70 CO -0.33 0.73 0.36 0.93 -2.27 0.00 0.00 179.45 178.86 2pwm h GLU 71 N 1.13 0.78 -0.33 1.90 5.08 -0.98 -1.29 114.58 120.87 2pwm h GLU 71 Ca 0.33 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2pwm h GLU 71 Cb -0.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 2pwm h GLU 71 CO -0.09 0.55 0.21 1.15 -1.00 0.00 0.00 179.01 179.83 2pwm h THR 72 N 0.78 1.10 -0.33 1.13 2.02 -0.67 -1.47 112.91 115.46 2pwm h THR 72 Ca 0.21 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2pwm h THR 72 Cb -0.03 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2pwm h THR 72 CO -0.04 0.10 0.11 0.40 0.37 0.00 0.00 175.52 176.45 2pwm h ILE 73 N 0.43 1.21 -0.90 3.11 2.04 -0.89 -0.33 117.51 122.17 2pwm h ILE 73 Ca 0.12 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.33 2pwm h ILE 73 Cb -0.02 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2pwm h ILE 73 CO -0.02 0.23 0.60 0.78 0.00 0.00 0.00 178.15 179.73 2pwm h ASN 74 N 0.39 1.01 -0.17 1.72 2.35 -1.16 0.12 115.58 119.84 2pwm h ASN 74 Ca 0.11 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 2pwm h ASN 74 Cb 0.25 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2pwm h ASN 74 CO -0.00 0.72 -0.29 -0.08 -1.65 0.00 0.00 177.43 176.12 2pwm h GLU 75 N 1.19 0.50 -0.22 0.81 4.57 -0.84 -2.24 114.58 118.35 2pwm h GLU 75 Ca 0.34 -0.31 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 2pwm h GLU 75 Cb -0.08 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2pwm h GLU 75 CO -0.09 0.91 -0.12 0.93 -1.18 0.00 0.00 179.01 179.46 2pwm h GLU 76 N 0.14 0.36 -0.46 1.92 4.39 -0.77 -0.25 114.58 119.91 2pwm h GLU 76 Ca 0.01 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 2pwm h GLU 76 Cb 0.88 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2pwm h GLU 76 CO 0.07 0.49 -0.22 0.00 -1.16 0.00 0.00 179.01 178.19 2pwm h ALA 77 N 1.54 0.74 -0.42 3.43 0.00 -0.73 -0.66 119.26 123.15 2pwm h ALA 77 Ca 0.07 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2pwm h ALA 77 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2pwm h ALA 77 CO 0.02 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.93 2pwm h ALA 78 N 0.92 0.56 -0.27 0.00 0.00 -0.90 -2.32 119.26 117.25 2pwm h ALA 78 Ca 0.11 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2pwm h ALA 78 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2pwm h ALA 78 CO 0.06 0.36 -0.32 0.93 0.00 0.00 0.00 179.25 180.28 2pwm h GLU 79 N 0.58 0.57 -0.22 0.00 4.39 -0.98 -1.64 114.58 117.28 2pwm h GLU 79 Ca 0.12 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.60 2pwm h GLU 79 Cb 0.50 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 2pwm h GLU 79 CO 0.02 0.82 -0.01 2.35 -1.16 0.00 0.00 179.01 181.04 2pwm h TRP 80 N 0.49 -0.02 -0.30 4.33 2.91 -1.00 -0.05 115.95 122.31 2pwm h TRP 80 Ca 0.06 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.12 2pwm h TRP 80 Cb 0.80 0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.46 2pwm h TRP 80 CO 0.03 -0.04 0.11 -0.44 -1.03 0.00 0.00 178.44 177.08 2pwm h ASP 81 N 0.06 0.14 -0.98 2.65 3.32 -1.15 -1.09 116.42 119.38 2pwm h ASP 81 Ca 0.10 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.24 2pwm h ASP 81 Cb 0.13 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 2pwm h ASP 81 CO -0.18 0.12 0.64 -0.09 -1.72 0.00 0.00 179.24 178.00 2pwm h ARG 82 N 0.25 1.13 -0.02 3.56 2.43 -1.09 -3.16 114.38 117.48 2pwm h ARG 82 Ca 0.13 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2pwm h ARG 82 Cb 0.09 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2pwm h ARG 82 CO -0.12 0.75 -0.10 1.28 -1.51 0.00 0.00 179.97 180.26 2pwm n LEU 83 N -4.48 2.17 -3.53 3.80 4.77 -0.05 -4.35 117.00 115.33 2pwm n LEU 83 Ca 0.15 -0.73 -0.27 0.00 -0.03 0.00 0.00 56.01 55.13 2pwm n LEU 83 Cb 0.17 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2pwm n LEU 83 CO 0.33 0.37 -0.07 1.41 -1.33 0.00 0.00 177.39 178.09 2pwm n HIS 84 N 0.56 2.23 -1.78 -1.77 8.25 -0.44 -5.06 115.22 117.20 2pwm n HIS 84 Ca 0.15 -3.99 -0.41 0.00 -0.26 0.00 0.00 57.72 53.20 2pwm n HIS 84 Cb 0.48 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.60 4.12 0.26 -0.41 0.02 -1.26 -4.84 135.00 131.30 2pwm s PRO 85 Ca 0.33 2.57 0.08 0.00 0.02 0.00 0.00 61.00 64.01 2pwm s PRO 85 Cb 0.08 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.52 2pwm s PRO 85 CO -0.10 -0.63 -0.11 0.14 -0.33 0.00 0.00 177.00 175.96 2pwm s VAL 86 N 0.01 1.85 0.95 3.83 -7.23 -1.26 -5.14 120.40 113.40 2pwm s VAL 86 Ca 0.63 -2.21 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 2pwm s VAL 86 Cb -0.48 -2.30 0.16 0.00 0.56 0.00 0.00 36.38 34.32 2pwm s VAL 86 CO 0.48 -0.41 1.10 -1.00 -0.31 0.00 0.00 175.10 174.95 2pwm s HIS 87 N -2.89 2.26 0.38 2.82 3.76 -1.26 -4.94 115.29 115.42 2pwm s HIS 87 Ca 0.27 1.07 0.13 0.00 -0.15 0.00 0.00 55.06 56.38 2pwm s HIS 87 Cb 0.01 -3.23 0.94 0.00 1.11 0.00 0.00 32.58 31.40 2pwm s HIS 87 CO 0.11 -2.61 1.87 0.00 -0.85 0.00 0.00 174.74 173.25 2pwm h ALA 88 N -1.70 1.99 -2.41 -1.40 0.00 -2.05 -3.45 119.26 110.24 2pwm h ALA 88 Ca -0.52 0.02 0.17 0.00 0.00 0.00 0.00 54.91 54.58 2pwm h ALA 88 Cb 1.31 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2pwm h ALA 88 CO 0.57 -0.25 0.55 0.20 0.00 0.00 0.00 179.25 180.33 2pwm s GLY 89 N -3.75 -0.04 0.41 0.00 0.00 -1.26 -5.13 107.32 97.55 2pwm s GLY 89 Ca -0.09 -0.12 -0.27 0.00 0.00 0.00 0.00 44.72 44.24 2pwm s GLY 89 CO 0.78 1.30 1.47 -1.55 0.00 0.00 0.00 173.10 175.11 2pwm n PRO 90 N -0.60 2.53 -0.13 2.90 -0.04 -1.26 -4.93 135.00 133.46 2pwm n PRO 90 Ca -0.05 0.89 -0.12 0.00 -0.04 0.00 0.00 63.50 64.18 2pwm n PRO 90 Cb 0.60 -2.66 -0.02 0.00 -0.04 0.00 0.00 33.50 31.38 2pwm n PRO 90 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2pwm h ILE 91 N 2.71 1.28 -3.35 0.52 2.04 -1.98 -3.42 117.51 115.31 2pwm h ILE 91 Ca -0.51 -1.38 -0.59 0.00 1.00 0.00 0.00 64.86 63.39 2pwm h ILE 91 Cb 1.25 1.29 -0.10 0.00 -0.74 0.00 0.00 36.82 38.52 2pwm h ILE 91 CO 0.63 0.46 -0.25 -1.61 0.00 0.00 0.00 178.15 177.38 2pwm s GLU 92 N -4.59 4.26 0.19 2.37 0.41 -1.26 -5.01 118.70 115.07 2pwm s GLU 92 Ca -0.12 0.21 -0.12 0.00 -0.41 0.00 0.00 54.97 54.53 2pwm s GLU 92 Cb 0.11 -3.46 0.19 0.00 -1.78 0.00 0.00 34.13 29.19 2pwm s GLU 92 CO 0.85 0.15 1.74 -1.00 -0.49 0.00 0.00 175.26 176.50 2pwm h PRO 93 N 6.86 0.30 -0.00 0.39 0.13 -2.02 -2.04 132.00 135.63 2pwm h PRO 93 Ca -0.40 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2pwm h PRO 93 Cb 1.17 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2pwm h PRO 93 CO 0.75 0.20 -0.02 0.41 -0.23 0.00 0.00 178.00 179.11 2pwm n GLY 94 N -1.27 -1.35 3.77 1.56 0.00 -1.26 -4.93 105.19 101.71 2pwm n GLY 94 Ca 0.06 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2pwm n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pwm s GLN 95 N -2.73 3.60 0.09 1.61 -2.07 -0.77 -4.95 119.66 114.44 2pwm s GLN 95 Ca 0.23 1.68 -0.31 0.00 -1.82 0.00 0.00 55.36 55.14 2pwm s GLN 95 Cb 0.20 -2.22 -0.09 0.00 -1.09 0.00 0.00 33.01 29.80 2pwm s GLN 95 CO 0.49 -0.66 1.82 1.41 -1.32 0.00 0.00 175.29 177.03 2pwm s MET 96 N -2.97 4.15 0.63 9.60 -2.45 -1.26 -4.82 119.30 122.18 2pwm s MET 96 Ca 0.68 2.54 -0.18 0.00 -1.25 0.00 0.00 55.69 57.48 2pwm s MET 96 Cb -0.26 -3.73 -0.02 0.00 1.25 0.00 0.00 34.83 32.08 2pwm s MET 96 CO 0.30 -0.85 1.20 -0.98 1.05 0.00 0.00 175.02 175.75 2pwm s ARG 97 N 3.13 2.76 0.28 4.11 1.70 -1.26 -4.90 118.95 124.76 2pwm s ARG 97 Ca 0.81 1.79 -0.29 0.00 -0.47 0.00 0.00 55.73 57.56 2pwm s ARG 97 Cb -0.44 -1.91 -0.10 0.00 -0.57 0.00 0.00 34.95 31.94 2pwm s ARG 97 CO 0.36 -1.37 1.16 -1.21 -1.08 0.00 0.00 175.30 173.17 2pwm s GLU 98 N -3.53 4.56 0.32 3.89 0.41 -1.26 -5.01 118.70 118.08 2pwm s GLU 98 Ca 0.76 1.91 -0.28 0.00 -0.41 0.00 0.00 54.97 56.95 2pwm s GLU 98 Cb -0.30 -3.17 -0.09 0.00 -1.78 0.00 0.00 34.13 28.79 2pwm s GLU 98 CO 0.37 0.09 1.10 -1.25 -0.49 0.00 0.00 175.26 175.07 2pwm s PRO 99 N -1.40 4.49 0.53 0.39 0.04 -1.26 -5.05 135.00 132.74 2pwm s PRO 99 Ca 0.46 1.75 0.06 0.00 0.04 0.00 0.00 61.00 63.32 2pwm s PRO 99 Cb -0.34 -3.01 0.05 0.00 0.04 0.00 0.00 34.50 31.24 2pwm s PRO 99 CO 0.43 0.09 0.73 1.03 0.04 0.00 0.00 177.00 179.33 2pwm s ARG 100 N -1.74 2.47 0.19 4.56 1.81 -1.26 -4.91 118.95 120.07 2pwm s ARG 100 Ca 0.48 -1.24 -0.15 0.00 -1.72 0.00 0.00 55.73 53.11 2pwm s ARG 100 Cb -0.30 -2.61 0.18 0.00 -0.45 0.00 0.00 34.95 31.77 2pwm s ARG 100 CO 0.38 -0.69 1.64 0.78 -0.68 0.00 0.00 175.30 176.74 2pwm h GLY 101 N 0.23 0.39 2.00 -3.53 0.00 -1.92 0.41 103.07 100.65 2pwm h GLY 101 Ca -0.37 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2pwm h GLY 101 CO 0.45 -0.21 -0.10 1.48 0.00 0.00 0.00 176.54 178.16 2pwm h SER 102 N -0.00 0.00 -0.16 0.19 4.64 -1.95 -1.08 113.55 115.19 2pwm h SER 102 Ca 0.26 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.46 2pwm h SER 102 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2pwm h SER 102 CO -0.56 0.10 -0.36 0.44 -0.87 0.00 0.00 176.83 175.58 2pwm h ASP 103 N 0.00 0.60 -0.82 4.97 3.32 -1.28 -1.18 116.42 122.02 2pwm h ASP 103 Ca -0.00 -0.57 0.01 0.00 0.02 0.00 0.00 57.03 56.49 2pwm h ASP 103 Cb 0.32 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2pwm h ASP 103 CO 0.01 1.06 0.55 0.40 -1.72 0.00 0.00 179.24 179.53 2pwm h ILE 104 N 0.16 1.20 -0.00 0.35 2.04 -0.72 -2.43 117.51 118.11 2pwm h ILE 104 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2pwm h ILE 104 Cb 0.97 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2pwm h ILE 104 CO 0.08 0.20 -0.13 0.00 0.00 0.00 0.00 178.15 178.30 2pwm n ALA 105 N -2.41 2.73 -0.72 1.87 0.00 -0.46 -4.63 120.51 116.89 2pwm n ALA 105 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2pwm n ALA 105 Cb 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 1.38 0.64 0.12 0.00 0.00 -0.92 -4.90 105.19 101.51 2pwm n GLY 106 Ca 0.11 -0.04 0.02 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 0.71 -0.07 2.61 1.35 -1.48 -3.37 112.91 112.67 2pwm h THR 107 Ca 0.00 -2.10 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 2pwm h THR 107 Cb 0.00 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2pwm h THR 107 CO 0.00 0.40 0.00 0.35 -0.25 0.00 0.00 175.52 176.02 2pwm n THR 108 N -3.09 0.87 -4.38 6.82 -2.24 -1.01 -5.02 114.28 106.23 2pwm n THR 108 Ca -0.02 -0.93 -0.28 0.00 -2.27 0.00 0.00 64.05 60.54 2pwm n THR 108 Cb 0.77 0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.90 3.49 0.51 3.42 1.04 -1.26 -4.83 113.70 115.18 2pwm s SER 109 Ca 0.05 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 2pwm s SER 109 Cb 0.03 -0.31 -0.00 0.00 0.10 0.00 0.00 66.02 65.84 2pwm s SER 109 CO 0.03 0.16 0.77 0.42 0.98 0.00 0.00 173.24 175.61 2pwm s THR 110 N -1.26 3.90 0.21 2.02 -4.23 -1.26 -4.90 115.64 110.12 2pwm s THR 110 Ca 0.17 -0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.34 2pwm s THR 110 Cb -0.10 -3.49 0.15 0.00 1.34 0.00 0.00 72.50 70.40 2pwm s THR 110 CO 0.08 -0.42 1.74 0.25 -0.54 0.00 0.00 174.62 175.73 2pwm h LEU 111 N 0.14 0.18 -1.10 4.79 5.85 -1.99 -1.37 115.31 121.81 2pwm h LEU 111 Ca -0.46 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2pwm h LEU 111 Cb 1.25 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 2pwm h LEU 111 CO 0.59 0.11 0.56 1.56 -0.34 0.00 0.00 178.44 180.92 2pwm h GLN 112 N 0.37 1.17 -0.46 1.25 1.08 -1.99 -0.97 115.11 115.56 2pwm h GLN 112 Ca 0.31 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.38 2pwm h GLN 112 Cb 0.40 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 2pwm h GLN 112 CO -0.33 0.79 0.12 0.93 -0.95 0.00 0.00 178.83 179.39 2pwm h GLU 113 N 1.20 0.73 -0.26 1.46 5.08 -1.81 0.22 114.58 121.20 2pwm h GLU 113 Ca 0.32 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2pwm h GLU 113 Cb -0.11 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 2pwm h GLU 113 CO -0.07 0.72 0.02 1.96 -1.00 0.00 0.00 179.01 180.65 2pwm h GLN 114 N 0.61 0.11 -0.74 2.33 4.20 -0.55 -0.04 115.11 121.03 2pwm h GLN 114 Ca 0.15 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 2pwm h GLN 114 Cb 0.31 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2pwm h GLN 114 CO 0.00 0.07 0.28 0.82 -0.67 0.00 0.00 178.83 179.33 2pwm h ILE 115 N 0.11 1.25 -0.42 2.54 1.08 -1.07 -0.81 117.51 120.19 2pwm h ILE 115 Ca 0.12 -0.82 0.08 0.00 -0.39 0.00 0.00 64.86 63.85 2pwm h ILE 115 Cb 0.14 0.40 -0.06 0.00 -3.07 0.00 0.00 36.82 34.23 2pwm h ILE 115 CO -0.19 0.33 0.03 1.23 -0.69 0.00 0.00 178.15 178.87 2pwm h GLY 116 N 1.07 0.46 0.81 5.37 0.00 -0.32 -0.55 103.07 109.91 2pwm h GLY 116 Ca 0.24 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 2pwm h GLY 116 CO -0.02 -0.09 -0.02 1.49 0.00 0.00 0.00 176.54 177.91 2pwm h TRP 117 N 0.15 0.41 -0.26 5.60 6.55 -0.64 -2.34 115.95 125.43 2pwm h TRP 117 Ca 0.21 -0.08 0.00 0.00 0.95 0.00 0.00 58.89 59.97 2pwm h TRP 117 Cb 0.29 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.47 2pwm h TRP 117 CO -0.25 0.59 0.17 0.52 -1.05 0.00 0.00 178.44 178.42 2pwm h MET 118 N 0.11 0.34 -0.38 0.49 2.86 -0.79 -0.49 114.93 117.07 2pwm h MET 118 Ca 0.05 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2pwm h MET 118 Cb 0.44 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2pwm h MET 118 CO 0.01 0.22 0.00 0.25 1.06 0.00 0.00 176.91 178.46 2pwm n THR 119 N -4.50 0.68 -0.69 2.22 -2.24 -0.25 -4.52 114.28 104.98 2pwm n THR 119 Ca 0.01 -0.84 -0.31 0.00 -2.27 0.00 0.00 64.05 60.63 2pwm n THR 119 Cb 0.07 0.77 0.16 0.00 -2.10 0.00 0.00 70.33 69.24 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 1.05 0.00 -4.01 4.78 -0.00 -0.88 -4.88 115.22 111.28 2pwm n HIS 120 Ca 0.16 0.31 -0.31 0.00 -0.00 0.00 0.00 57.72 57.87 2pwm n HIS 120 Cb 0.50 -1.91 -0.15 0.00 -0.00 0.00 0.00 29.99 28.43 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 -2.43 4.35 0.63 0.26 2.47 -1.26 -1.56 114.94 117.40 2pwm s ASN 121 Ca 0.64 -1.52 -0.10 0.00 0.42 0.00 0.00 52.86 52.30 2pwm s ASN 121 Cb -0.22 -1.44 -0.02 0.00 -1.45 0.00 0.00 41.25 38.11 2pwm s ASN 121 CO 0.61 -0.25 1.02 -2.16 -3.72 0.00 0.00 177.10 172.60 2pwm s PRO 122 N 1.15 3.39 0.59 0.43 0.04 -1.26 -5.10 135.00 134.24 2pwm s PRO 122 Ca -0.03 0.60 -0.20 0.00 0.04 0.00 0.00 61.00 61.42 2pwm s PRO 122 Cb -0.19 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 2pwm s PRO 122 CO -0.07 -0.66 1.20 -2.30 0.04 0.00 0.00 177.00 175.22 2pwm n PRO 123 N -2.77 1.24 -3.71 0.56 -0.02 -0.60 -4.97 135.00 124.74 2pwm n PRO 123 Ca 0.06 0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 61.64 2pwm n PRO 123 Cb 0.55 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.39 3.74 -1.37 4.25 1.01 -0.24 -4.97 121.20 122.23 2pwm s ILE 124 Ca 0.76 -2.84 -0.15 0.00 0.00 0.00 0.00 60.65 58.42 2pwm s ILE 124 Cb -0.41 -3.45 0.07 0.00 0.01 0.00 0.00 42.46 38.68 2pwm s ILE 124 CO 0.46 -0.86 1.98 -0.81 0.00 0.00 0.00 174.94 175.71 2pwm n PRO 125 N 3.63 3.07 0.16 2.79 -0.04 -1.26 -3.27 135.00 140.08 2pwm n PRO 125 Ca 0.07 -2.99 0.04 0.00 -0.04 0.00 0.00 63.50 60.58 2pwm n PRO 125 Cb 0.38 -3.32 0.46 0.00 -0.04 0.00 0.00 33.50 30.98 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 4.57 1.14 0.22 0.52 -1.51 -1.88 -0.55 116.25 118.75 2pwm h VAL 126 Ca 0.50 -0.62 -0.01 0.00 -1.23 0.00 0.00 66.70 65.34 2pwm h VAL 126 Cb 0.73 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 2pwm h VAL 126 CO 1.68 0.19 -0.10 1.23 -1.23 0.00 0.00 177.57 179.33 2pwm h GLY 127 N 0.59 -0.30 1.08 5.19 0.00 -1.86 -0.97 103.07 106.80 2pwm h GLY 127 Ca 0.03 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.50 2pwm h GLY 127 CO 0.02 -0.11 0.57 0.83 0.00 0.00 0.00 176.54 177.85 2pwm h GLU 128 N -0.34 1.08 0.27 4.80 4.39 -1.52 -0.27 114.58 122.98 2pwm h GLU 128 Ca -0.03 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2pwm h GLU 128 Cb 0.26 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2pwm h GLU 128 CO 0.05 0.71 -0.13 0.82 -1.16 0.00 0.00 179.01 179.30 2pwm h ILE 129 N 1.11 0.77 -0.77 3.13 2.04 -1.06 -1.65 117.51 121.08 2pwm h ILE 129 Ca 0.33 -0.49 0.12 0.00 1.00 0.00 0.00 64.86 65.83 2pwm h ILE 129 Cb -0.04 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 2pwm h ILE 129 CO -0.09 0.10 0.37 0.22 0.00 0.00 0.00 178.15 178.75 2pwm h TYR 130 N -0.63 0.65 -0.96 1.37 3.20 -1.09 -1.22 116.97 118.29 2pwm h TYR 130 Ca -0.04 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2pwm h TYR 130 Cb 0.45 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 2pwm h TYR 130 CO 0.01 0.17 0.62 0.87 -1.64 0.00 0.00 178.16 178.19 2pwm h LYS 131 N 0.57 1.07 -0.29 1.82 1.57 -0.91 0.91 116.57 121.31 2pwm h LYS 131 Ca 0.40 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 2pwm h LYS 131 Cb 0.52 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2pwm h LYS 131 CO -0.33 0.71 0.13 -0.09 -0.57 0.00 0.00 179.45 179.30 2pwm h ARG 132 N 1.11 0.42 -0.95 3.15 2.43 -0.24 0.19 114.38 120.48 2pwm h ARG 132 Ca 0.41 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.58 2pwm h ARG 132 Cb 0.18 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 2pwm h ARG 132 CO -0.16 0.41 0.61 -1.49 -1.51 0.00 0.00 179.97 177.83 2pwm h TRP 133 N 0.33 1.13 -0.34 2.20 6.55 -0.89 -0.77 115.95 124.15 2pwm h TRP 133 Ca 0.10 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.92 2pwm h TRP 133 Cb 0.13 -0.37 -0.01 0.00 -0.86 0.00 0.00 29.16 28.05 2pwm h TRP 133 CO -0.02 0.59 0.04 0.82 -1.05 0.00 0.00 178.44 178.82 2pwm h ILE 134 N 1.11 1.25 -0.32 1.49 2.04 -0.20 -2.03 117.51 120.85 2pwm h ILE 134 Ca 0.41 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 2pwm h ILE 134 Cb 0.15 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2pwm h ILE 134 CO -0.17 0.29 -0.01 0.40 0.00 0.00 0.00 178.15 178.66 2pwm h ILE 135 N 0.40 1.19 -0.48 -0.67 2.04 -0.40 0.67 117.51 120.26 2pwm h ILE 135 Ca 0.10 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.23 2pwm h ILE 135 Cb 0.39 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 2pwm h ILE 135 CO 0.01 0.26 0.22 -0.07 0.00 0.00 0.00 178.15 178.58 2pwm h LEU 136 N 0.48 0.31 -0.23 1.44 3.38 -0.99 -0.51 115.31 119.18 2pwm h LEU 136 Ca 0.10 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2pwm h LEU 136 Cb 0.33 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2pwm h LEU 136 CO 0.01 0.21 0.07 1.23 0.09 0.00 0.00 178.44 180.05 2pwm h GLY 137 N 0.44 0.38 0.55 0.83 0.00 -0.53 -2.99 103.07 101.76 2pwm h GLY 137 Ca 0.22 -0.23 0.12 0.00 0.00 0.00 0.00 47.33 47.43 2pwm h GLY 137 CO -0.17 0.22 0.61 1.41 0.00 0.00 0.00 176.54 178.60 2pwm h LEU 138 N 0.19 0.84 -1.25 3.11 3.38 -0.69 -1.46 115.31 119.44 2pwm h LEU 138 Ca 0.07 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2pwm h LEU 138 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2pwm h LEU 138 CO -0.00 0.46 -0.22 0.78 0.09 0.00 0.00 178.44 179.55 2pwm h ASN 139 N 0.91 0.00 -0.05 -0.43 2.35 -0.96 0.96 115.58 118.35 2pwm h ASN 139 Ca 0.46 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.15 2pwm h ASN 139 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2pwm h ASN 139 CO -0.23 0.22 -0.21 0.11 -1.65 0.00 0.00 177.43 175.67 2pwm h LYS 140 N 0.00 0.23 -0.25 0.81 1.57 -1.30 -3.36 116.57 114.27 2pwm h LYS 140 Ca -0.00 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 2pwm h LYS 140 Cb 0.68 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2pwm h LYS 140 CO 0.03 0.82 -0.23 0.82 -0.57 0.00 0.00 179.45 180.32 2pwm h ILE 141 N -0.31 1.26 -0.05 1.86 2.04 -0.86 -3.02 117.51 118.43 2pwm h ILE 141 Ca -0.01 -1.22 0.01 0.00 1.00 0.00 0.00 64.86 64.64 2pwm h ILE 141 Cb 0.85 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2pwm h ILE 141 CO 0.04 0.39 0.05 -0.37 0.00 0.00 0.00 178.15 178.26 2pwm h VAL 142 N 0.42 0.57 -0.30 1.67 -1.51 -0.95 0.29 116.25 116.43 2pwm h VAL 142 Ca 0.06 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.61 2pwm h VAL 142 Cb 0.63 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2pwm h VAL 142 CO 0.05 0.00 0.21 0.03 -1.23 0.00 0.00 177.57 176.63 2pwm h ARG 143 N 0.00 0.04 0.00 5.19 3.08 -1.73 -0.19 114.38 120.78 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 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2pwm h ARG 143 CO -0.00 0.03 0.00 0.52 -1.07 0.00 0.00 179.97 179.45 2pwm h MET 144 N 0.04 0.00 0.00 0.04 2.86 -1.14 -3.54 114.93 113.20 2pwm h MET 144 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2pwm h MET 144 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2pwm h MET 144 CO -0.01 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.62