#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h4e s ILE 2 N 0.00 3.44 0.35 4.25 1.01 0.10 -0.90 121.20 129.45 3h4e s ILE 2 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.21 3h4e s ILE 2 Cb 0.00 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3h4e s ILE 2 CO 0.00 0.46 0.19 1.33 0.00 0.00 0.00 174.94 176.92 3h4e n VAL 3 N 4.20 0.00 -3.99 2.92 0.24 -0.46 -4.76 118.33 116.48 3h4e n VAL 3 Ca -0.18 -2.26 -0.35 0.00 -2.04 0.00 0.00 64.34 59.52 3h4e n VAL 3 Cb 0.52 0.95 -0.10 0.00 -1.47 0.00 0.00 33.84 33.73 3h4e n VAL 3 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3h4e s GLN 4 N -3.38 3.92 0.00 7.34 0.74 -1.26 0.21 119.66 127.22 3h4e s GLN 4 Ca 0.27 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.31 3h4e s GLN 4 Cb 0.01 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.90 3h4e s GLN 4 CO 0.19 0.20 0.00 0.27 -0.55 0.00 0.00 175.29 175.41 3h4e n ASN 5 N 3.74 0.00 0.05 6.67 0.23 -0.29 -4.96 115.26 120.71 3h4e n ASN 5 Ca -0.16 -0.73 -0.07 0.00 -0.53 0.00 0.00 54.58 53.09 3h4e n ASN 5 Cb 0.52 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.11 3h4e n ASN 5 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3h4e h LEU 6 N 0.00 0.00 0.00 -4.53 3.38 -1.99 -3.09 115.31 109.08 3h4e h LEU 6 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h4e h LEU 6 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h4e h LEU 6 CO 0.00 0.97 0.00 0.00 0.09 0.00 0.00 178.44 179.50 3h4e n GLN 7 N -3.30 0.80 -1.00 1.13 1.13 -1.26 -4.87 117.38 110.01 3h4e n GLN 7 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3h4e n GLN 7 Cb 0.94 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 30.01 3h4e n GLN 7 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h4e n GLY 8 N 0.47 0.54 3.89 1.08 0.00 -1.17 -5.04 105.19 104.97 3h4e n GLY 8 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3h4e n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h4e s GLN 9 N -0.09 3.71 -0.25 1.61 0.00 -1.26 -4.83 119.66 118.55 3h4e s GLN 9 Ca 0.00 0.11 -0.22 0.00 -0.00 0.00 0.00 55.36 55.25 3h4e s GLN 9 Cb 0.00 -2.70 -0.01 0.00 0.00 0.00 0.00 33.01 30.30 3h4e s GLN 9 CO 0.00 0.33 0.70 -1.64 0.00 0.00 0.00 175.29 174.67 3h4e s MET 10 N -2.98 4.14 0.14 9.60 -1.94 -1.26 -1.14 119.30 125.86 3h4e s MET 10 Ca 0.45 0.69 0.10 0.00 -1.71 0.00 0.00 55.69 55.21 3h4e s MET 10 Cb -0.11 -3.65 -0.04 0.00 2.01 0.00 0.00 34.83 33.04 3h4e s MET 10 CO 0.24 -0.45 -0.23 0.14 -0.01 0.00 0.00 175.02 174.72 3h4e s VAL 11 N 2.62 2.02 0.34 -6.03 -7.23 0.13 -4.90 120.40 107.35 3h4e s VAL 11 Ca 0.29 -1.79 -0.27 0.00 -1.81 0.00 0.00 61.98 58.41 3h4e s VAL 11 Cb -0.15 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 3h4e s VAL 11 CO 0.08 -0.08 1.05 -2.28 -0.31 0.00 0.00 175.10 173.56 3h4e s HIS 12 N -1.42 3.47 -0.00 2.82 5.65 -1.26 -1.36 115.29 123.19 3h4e s HIS 12 Ca 0.13 1.70 0.00 0.00 0.25 0.00 0.00 55.06 57.14 3h4e s HIS 12 Cb -0.09 -3.16 0.00 0.00 -1.18 0.00 0.00 32.58 28.15 3h4e s HIS 12 CO 0.06 -0.45 -0.00 -1.14 -0.65 0.00 0.00 174.74 172.56 3h4e s GLN 13 N -1.96 0.03 0.40 2.88 0.74 -0.08 -4.93 119.66 116.75 3h4e s GLN 13 Ca 0.51 -0.00 -0.27 0.00 0.05 0.00 0.00 55.36 55.65 3h4e s GLN 13 Cb -0.26 -0.05 -0.10 0.00 1.10 0.00 0.00 33.01 33.70 3h4e s GLN 13 CO 0.33 -0.00 1.45 0.00 -0.55 0.00 0.00 175.29 176.51 3h4e s ILE 15 N -1.14 2.50 0.23 0.00 2.07 -1.26 -4.62 121.20 118.96 3h4e s ILE 15 Ca 0.56 0.46 -0.10 0.00 -1.41 0.00 0.00 60.65 60.17 3h4e s ILE 15 Cb -0.47 -3.30 -0.07 0.00 0.13 0.00 0.00 42.46 38.75 3h4e s ILE 15 CO 0.61 0.10 0.55 -0.94 -1.91 0.00 0.00 174.94 173.35 3h4e s SER 16 N -0.07 6.63 0.35 4.50 1.04 -1.26 -4.95 113.70 119.94 3h4e s SER 16 Ca 0.54 0.92 0.10 0.00 0.48 0.00 0.00 55.95 57.99 3h4e s SER 16 Cb -0.43 -2.23 0.85 0.00 0.10 0.00 0.00 66.02 64.32 3h4e s SER 16 CO 0.52 -0.07 1.82 -0.65 0.98 0.00 0.00 173.24 175.85 3h4e h PRO 17 N 2.57 0.64 0.17 4.02 0.11 -1.99 -0.88 132.00 136.64 3h4e h PRO 17 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h4e h PRO 17 Cb 1.17 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3h4e h PRO 17 CO 0.69 0.42 -0.13 0.00 -0.21 0.00 0.00 178.00 178.77 3h4e h ARG 18 N 0.66 -0.31 0.23 1.05 2.47 -1.99 -1.46 114.38 115.02 3h4e h ARG 18 Ca 0.51 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.25 3h4e h ARG 18 Cb 0.92 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 3h4e h ARG 18 CO -0.27 -0.20 -0.18 1.15 0.56 0.00 0.00 179.97 181.03 3h4e h THR 19 N -0.32 0.61 -0.60 2.04 2.02 -1.79 -0.40 112.91 114.47 3h4e h THR 19 Ca -0.01 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.29 3h4e h THR 19 Cb 0.28 0.61 -0.12 0.00 -1.74 0.00 0.00 68.15 67.19 3h4e h THR 19 CO -0.01 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.62 3h4e h LEU 20 N -0.42 -0.70 -0.35 2.58 3.38 -1.15 -2.08 115.31 116.57 3h4e h LEU 20 Ca -0.01 0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 3h4e h LEU 20 Cb 0.37 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3h4e h LEU 20 CO -0.01 -0.23 -0.48 -1.13 0.09 0.00 0.00 178.44 176.68 3h4e h ASN 21 N -0.04 0.98 -0.89 -0.43 -1.24 -1.10 -2.53 115.58 110.33 3h4e h ASN 21 Ca 0.28 -0.49 0.01 0.00 0.71 0.00 0.00 56.30 56.82 3h4e h ASN 21 Cb 0.48 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 39.21 3h4e h ASN 21 CO -0.64 1.29 0.58 0.00 -1.29 0.00 0.00 177.43 177.37 3h4e h ALA 22 N 0.74 1.13 -0.13 1.57 0.00 -0.68 -1.17 119.26 120.72 3h4e h ALA 22 Ca 0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3h4e h ALA 22 Cb 1.08 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3h4e h ALA 22 CO 0.11 0.50 -0.19 2.35 0.00 0.00 0.00 179.25 182.03 3h4e h TRP 23 N 1.18 0.44 -0.83 0.00 2.91 -1.36 -1.85 115.95 116.44 3h4e h TRP 23 Ca 0.33 -0.15 0.05 0.00 1.13 0.00 0.00 58.89 60.26 3h4e h TRP 23 Cb -0.11 -0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 28.40 3h4e h TRP 23 CO -0.01 0.80 0.52 0.28 -1.03 0.00 0.00 178.44 178.99 3h4e h VAL 24 N -0.04 1.06 -0.36 2.65 2.07 -1.31 -2.49 116.25 117.83 3h4e h VAL 24 Ca 0.01 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 3h4e h VAL 24 Cb 0.75 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3h4e h VAL 24 CO 0.04 0.17 -0.18 0.11 0.02 0.00 0.00 177.57 177.74 3h4e h LYS 25 N 0.96 0.76 -0.53 1.57 1.79 -1.18 -2.27 116.57 117.66 3h4e h LYS 25 Ca 0.36 -0.33 0.08 0.00 -2.18 0.00 0.00 60.65 58.57 3h4e h LYS 25 Cb 0.13 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 3h4e h LYS 25 CO -0.16 0.95 0.17 0.28 -1.08 0.00 0.00 179.45 179.61 3h4e h VAL 26 N 0.55 0.79 -0.64 0.50 2.07 -1.07 0.13 116.25 118.58 3h4e h VAL 26 Ca 0.08 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 3h4e h VAL 26 Cb 0.72 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3h4e h VAL 26 CO 0.05 0.06 0.16 0.58 0.02 0.00 0.00 177.57 178.44 3h4e h VAL 27 N 0.34 1.25 -0.48 2.57 2.07 -1.40 -0.62 116.25 119.98 3h4e h VAL 27 Ca 0.26 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3h4e h VAL 27 Cb 0.31 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3h4e h VAL 27 CO -0.28 0.34 -0.09 -0.33 0.02 0.00 0.00 177.57 177.23 3h4e h GLU 28 N 0.96 0.86 0.01 1.57 5.08 -0.67 -1.98 114.58 120.42 3h4e h GLU 28 Ca 0.20 -0.29 -0.29 0.00 -1.00 0.00 0.00 59.36 57.99 3h4e h GLU 28 Cb 0.34 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3h4e h GLU 28 CO -0.00 0.92 -1.62 0.93 -1.00 0.00 0.00 179.01 178.24 3h4e h GLU 29 N 0.78 0.03 0.00 2.33 5.08 -0.64 -3.40 114.58 118.76 3h4e h GLU 29 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3h4e h GLU 29 Cb 0.60 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3h4e h GLU 29 CO 0.04 0.64 0.00 1.63 -1.00 0.00 0.00 179.01 180.31 3h4e n LYS 30 N -3.13 0.43 0.00 2.33 4.76 -0.25 -5.07 118.16 117.22 3h4e n LYS 30 Ca -0.15 -0.36 0.00 0.00 -2.87 0.00 0.00 58.31 54.93 3h4e n LYS 30 Cb 1.04 -0.85 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 3h4e n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h4e n ALA 31 N -0.16 0.00 -1.62 7.82 0.00 -0.74 -1.69 120.51 124.11 3h4e n ALA 31 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3h4e n ALA 31 Cb 0.02 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.64 3h4e n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h4e n PHE 32 N 14.00 0.99 -1.55 0.00 3.72 -1.26 -4.73 117.46 128.63 3h4e n PHE 32 Ca 0.00 -1.73 -0.42 0.00 -0.05 0.00 0.00 57.45 55.26 3h4e n PHE 32 Cb 0.00 -0.40 0.01 0.00 -0.94 0.00 0.00 39.48 38.15 3h4e n PHE 32 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h4e n SER 33 N -1.04 0.47 -0.30 4.37 2.88 -0.68 -4.56 113.62 114.76 3h4e n SER 33 Ca 0.30 1.00 0.15 0.00 -1.33 0.00 0.00 58.87 59.00 3h4e n SER 33 Cb 0.86 -1.26 0.41 0.00 -0.75 0.00 0.00 64.21 63.48 3h4e n SER 33 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h4e h PRO 34 N 1.29 0.59 0.00 -1.46 0.11 -1.92 -1.81 132.00 128.81 3h4e h PRO 34 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3h4e h PRO 34 Cb 1.36 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3h4e h PRO 34 CO 0.55 0.39 0.00 -0.85 -0.21 0.00 0.00 178.00 177.88 3h4e n GLU 35 N -4.62 0.20 0.17 1.05 0.00 -1.26 -2.28 120.64 113.90 3h4e n GLU 35 Ca 0.21 0.15 0.03 0.00 0.00 0.00 0.00 57.16 57.55 3h4e n GLU 35 Cb 0.61 -1.50 0.29 0.00 0.00 0.00 0.00 31.44 30.84 3h4e n GLU 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3h4e h VAL 36 N 0.00 1.11 -0.05 3.84 2.07 -1.68 -3.13 116.25 118.42 3h4e h VAL 36 Ca 0.00 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.80 3h4e h VAL 36 Cb 0.13 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3h4e h VAL 36 CO 0.00 0.44 -0.12 0.40 0.02 0.00 0.00 177.57 178.31 3h4e h ILE 37 N 0.00 1.44 -0.64 4.57 2.04 -1.67 -0.91 117.51 122.34 3h4e h ILE 37 Ca -0.00 -1.50 0.11 0.00 1.00 0.00 0.00 64.86 64.47 3h4e h ILE 37 Cb 0.93 2.31 -0.04 0.00 -0.74 0.00 0.00 36.82 39.28 3h4e h ILE 37 CO 0.06 0.41 0.43 -0.65 0.00 0.00 0.00 178.15 178.40 3h4e h PRO 38 N -0.36 0.42 -0.26 2.37 0.11 -1.75 -1.10 132.00 131.42 3h4e h PRO 38 Ca -0.00 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.90 3h4e h PRO 38 Cb 0.73 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3h4e h PRO 38 CO 0.03 0.28 -0.54 1.98 -0.21 0.00 0.00 178.00 179.53 3h4e h MET 39 N 0.43 0.82 -0.45 1.05 4.05 -1.45 -2.09 114.93 117.29 3h4e h MET 39 Ca 0.30 -0.54 -0.01 0.00 -0.28 0.00 0.00 59.70 59.17 3h4e h MET 39 Cb 0.60 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 3h4e h MET 39 CO -0.09 1.17 0.25 0.35 0.23 0.00 0.00 176.91 178.82 3h4e h PHE 40 N 0.58 0.62 -0.83 1.39 3.57 -0.74 -0.81 116.94 120.73 3h4e h PHE 40 Ca 0.01 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3h4e h PHE 40 Cb 1.15 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 3h4e h PHE 40 CO 0.08 0.47 0.45 1.03 -2.23 0.00 0.00 178.31 178.11 3h4e h SER 41 N 0.60 1.03 -0.07 0.41 0.87 -1.05 -1.92 113.55 113.42 3h4e h SER 41 Ca 0.16 -0.09 -0.16 0.00 -1.23 0.00 0.00 61.79 60.47 3h4e h SER 41 Cb 0.06 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3h4e h SER 41 CO -0.03 0.83 -0.58 0.00 -0.53 0.00 0.00 176.83 176.52 3h4e h ALA 42 N 1.34 0.17 0.00 6.23 0.00 -1.24 -3.16 119.26 122.59 3h4e h ALA 42 Ca 0.29 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3h4e h ALA 42 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h4e h ALA 42 CO -0.05 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.55 3h4e h LEU 43 N 0.11 0.00 -3.38 0.00 3.38 -0.92 -2.33 115.31 112.16 3h4e h LEU 43 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h4e h LEU 43 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 3h4e h LEU 43 CO 0.12 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 3h4e n SER 44 N -2.91 4.59 -4.68 -0.43 3.41 -0.74 -5.00 113.62 107.86 3h4e n SER 44 Ca -0.02 -3.00 -0.46 0.00 -0.26 0.00 0.00 58.87 55.13 3h4e n SER 44 Cb 0.13 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.44 3h4e n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h4e n GLY 46 N 3.95 0.45 3.77 0.00 0.00 -1.26 -4.83 105.19 107.26 3h4e n GLY 46 Ca 0.19 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3h4e n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4e s ALA 47 N -1.86 3.35 0.68 4.61 0.00 -0.44 -0.72 121.76 127.38 3h4e s ALA 47 Ca 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 3h4e s ALA 47 Cb 0.00 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 3h4e s ALA 47 CO 0.00 -0.42 1.07 0.95 0.00 0.00 0.00 175.76 177.36 3h4e s THR 48 N -1.24 3.92 0.34 0.00 -4.23 -1.26 -4.38 115.64 108.79 3h4e s THR 48 Ca 0.50 0.62 0.08 0.00 -1.18 0.00 0.00 61.69 61.71 3h4e s THR 48 Cb -0.34 -3.60 0.32 0.00 1.34 0.00 0.00 72.50 70.22 3h4e s THR 48 CO 0.44 -0.81 1.86 -0.65 -0.54 0.00 0.00 174.62 174.91 3h4e h PRO 49 N -0.55 0.72 -0.06 3.99 0.11 -1.84 -0.86 132.00 133.51 3h4e h PRO 49 Ca -0.45 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3h4e h PRO 49 Cb 1.23 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3h4e h PRO 49 CO 0.63 0.47 -0.04 0.37 -0.21 0.00 0.00 178.00 179.22 3h4e h GLN 50 N 0.74 -0.05 -0.55 1.05 4.15 -1.90 -1.36 115.11 117.19 3h4e h GLN 50 Ca 0.47 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.95 3h4e h GLN 50 Cb 0.71 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.35 3h4e h GLN 50 CO -0.23 -0.03 0.25 -0.44 -1.93 0.00 0.00 178.83 176.45 3h4e h ASP 51 N -0.05 0.32 -0.47 -0.69 3.32 -1.64 -0.91 116.42 116.30 3h4e h ASP 51 Ca 0.04 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.19 3h4e h ASP 51 Cb 0.11 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3h4e h ASP 51 CO -0.09 0.22 0.19 -0.07 -1.72 0.00 0.00 179.24 177.76 3h4e h LEU 52 N 0.47 0.22 -1.04 1.55 3.38 -0.94 -1.12 115.31 117.83 3h4e h LEU 52 Ca 0.26 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 3h4e h LEU 52 Cb 0.22 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3h4e h LEU 52 CO -0.21 0.16 0.19 0.78 0.09 0.00 0.00 178.44 179.45 3h4e h ASN 53 N 0.38 0.81 -0.51 -0.43 2.35 -0.60 -2.15 115.58 115.42 3h4e h ASN 53 Ca 0.22 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3h4e h ASN 53 Cb 0.20 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3h4e h ASN 53 CO -0.20 0.76 0.31 0.74 -1.65 0.00 0.00 177.43 177.39 3h4e h THR 54 N 0.86 1.07 -0.35 2.81 2.02 -0.44 0.24 112.91 119.12 3h4e h THR 54 Ca 0.20 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3h4e h THR 54 Cb 0.23 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3h4e h THR 54 CO -0.01 0.11 0.08 0.24 0.37 0.00 0.00 175.52 176.31 3h4e h MET 55 N 0.63 0.57 0.36 6.66 2.86 -0.74 -2.18 114.93 123.09 3h4e h MET 55 Ca 0.20 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3h4e h MET 55 Cb 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.59 3h4e h MET 55 CO -0.08 0.63 -0.17 -0.07 1.06 0.00 0.00 176.91 178.27 3h4e h LEU 56 N 0.42 -0.41 -2.29 1.22 3.38 -1.28 -3.16 115.31 113.19 3h4e h LEU 56 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3h4e h LEU 56 Cb 0.32 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3h4e h LEU 56 CO 0.00 -0.23 0.00 0.78 0.09 0.00 0.00 178.44 179.09 3h4e h ASN 57 N -0.56 0.00 0.94 -0.43 2.35 -0.88 -1.96 115.58 115.04 3h4e h ASN 57 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3h4e h ASN 57 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3h4e h ASN 57 CO 0.08 0.00 -0.12 0.35 -1.65 0.00 0.00 177.43 176.09 3h4e n THR 58 N -2.82 0.06 -2.33 2.81 -2.24 -0.83 -4.77 114.28 104.16 3h4e n THR 58 Ca -0.02 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3h4e n THR 58 Cb 0.10 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 3h4e n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h4e s VAL 59 N -3.01 3.81 -0.20 2.28 1.01 -0.74 -4.95 120.40 118.60 3h4e s VAL 59 Ca 0.13 1.28 -0.21 0.00 0.00 0.00 0.00 61.98 63.18 3h4e s VAL 59 Cb 0.18 -3.82 -0.18 0.00 0.00 0.00 0.00 36.38 32.56 3h4e s VAL 59 CO 0.58 0.08 0.23 1.23 0.00 0.00 0.00 175.10 177.22 3h4e h GLY 60 N 7.06 0.00 0.00 4.51 0.00 -1.89 -3.49 103.07 109.26 3h4e h GLY 60 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3h4e h GLY 60 CO 0.84 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.99 3h4e n GLY 61 N 1.46 0.18 3.91 4.60 0.00 -1.26 -4.65 105.19 109.44 3h4e n GLY 61 Ca -0.28 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 3h4e n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h4e n HIS 62 N -0.21 -1.89 0.24 1.61 8.25 -1.26 -4.85 115.22 117.12 3h4e n HIS 62 Ca 0.00 0.73 0.10 0.00 -0.26 0.00 0.00 57.72 58.29 3h4e n HIS 62 Cb 0.00 -3.16 0.61 0.00 1.12 0.00 0.00 29.99 28.56 3h4e n HIS 62 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3h4e h GLN 63 N -1.48 0.00 0.38 -0.41 1.08 -1.95 -0.47 115.11 112.26 3h4e h GLN 63 Ca -0.54 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.65 3h4e h GLN 63 Cb 1.35 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 3h4e h GLN 63 CO 0.69 0.18 -0.30 0.00 -0.95 0.00 0.00 178.83 178.45 3h4e h ALA 64 N 1.82 -0.68 -0.34 3.87 0.00 -1.99 -0.45 119.26 121.49 3h4e h ALA 64 Ca -0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3h4e h ALA 64 Cb 0.47 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3h4e h ALA 64 CO 0.02 -0.91 0.14 0.00 0.00 0.00 0.00 179.25 178.51 3h4e h ALA 65 N -0.15 0.40 -0.81 0.00 0.00 -1.79 -1.18 119.26 115.73 3h4e h ALA 65 Ca -0.03 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3h4e h ALA 65 Cb 0.59 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3h4e h ALA 65 CO -0.01 -0.25 0.53 0.52 0.00 0.00 0.00 179.25 180.04 3h4e h MET 66 N 0.30 0.72 -0.24 0.00 2.07 -0.98 0.45 114.93 117.24 3h4e h MET 66 Ca 0.15 -0.04 -0.11 0.00 -2.07 0.00 0.00 59.70 57.62 3h4e h MET 66 Cb 0.10 -0.16 -0.00 0.00 -1.87 0.00 0.00 31.60 29.66 3h4e h MET 66 CO -0.13 0.47 -0.28 0.37 1.07 0.00 0.00 176.91 178.41 3h4e h GLN 67 N 0.74 0.62 -0.71 1.72 5.75 -0.40 -2.21 115.11 120.61 3h4e h GLN 67 Ca 0.37 -0.34 0.07 0.00 -0.15 0.00 0.00 58.65 58.60 3h4e h GLN 67 Cb 0.46 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.97 3h4e h GLN 67 CO -0.15 0.95 0.39 0.52 -2.65 0.00 0.00 178.83 177.89 3h4e h MET 68 N 0.33 0.67 -0.97 1.69 2.86 -0.36 -2.24 114.93 116.90 3h4e h MET 68 Ca 0.03 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3h4e h MET 68 Cb 0.86 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 3h4e h MET 68 CO 0.07 0.44 0.61 1.25 1.06 0.00 0.00 176.91 180.34 3h4e h LEU 69 N 0.69 1.14 -1.00 1.22 5.85 -0.79 -0.62 115.31 121.81 3h4e h LEU 69 Ca 0.33 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.01 3h4e h LEU 69 Cb 0.26 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3h4e h LEU 69 CO -0.22 0.85 0.66 0.11 -0.34 0.00 0.00 178.44 179.51 3h4e h LYS 70 N 1.33 1.31 -0.41 1.25 1.57 -0.82 -1.07 116.57 119.72 3h4e h LYS 70 Ca 0.35 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3h4e h LYS 70 Cb -0.10 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 31.90 3h4e h LYS 70 CO -0.07 0.86 -0.02 0.93 -0.57 0.00 0.00 179.45 180.58 3h4e h GLU 71 N 1.34 0.75 -0.70 3.15 5.08 -0.78 -1.41 114.58 122.01 3h4e h GLU 71 Ca 0.37 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3h4e h GLU 71 Cb -0.15 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 3h4e h GLU 71 CO -0.08 0.84 0.45 1.15 -1.00 0.00 0.00 179.01 180.36 3h4e h THR 72 N 0.58 1.13 -0.83 1.13 2.02 -0.98 -1.78 112.91 114.17 3h4e h THR 72 Ca 0.11 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3h4e h THR 72 Cb 0.51 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 3h4e h THR 72 CO 0.03 0.16 0.46 0.40 0.37 0.00 0.00 175.52 176.94 3h4e h ILE 73 N 0.89 1.24 -0.73 3.11 2.04 -1.00 -2.19 117.51 120.87 3h4e h ILE 73 Ca 0.27 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 3h4e h ILE 73 Cb -0.03 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 3h4e h ILE 73 CO -0.09 0.27 0.22 0.78 0.00 0.00 0.00 178.15 179.34 3h4e h ASN 74 N 1.16 1.06 0.08 1.72 2.35 -0.91 -1.11 115.58 119.94 3h4e h ASN 74 Ca 0.29 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3h4e h ASN 74 Cb 0.02 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 3h4e h ASN 74 CO -0.05 0.99 -0.08 -0.33 -1.65 0.00 0.00 177.43 176.31 3h4e h GLU 75 N 1.09 -0.17 -0.60 0.81 5.08 -1.09 -0.85 114.58 118.84 3h4e h GLU 75 Ca 0.24 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3h4e h GLU 75 Cb 0.31 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3h4e h GLU 75 CO -0.01 -0.12 0.21 0.93 -1.00 0.00 0.00 179.01 179.03 3h4e h GLU 76 N -0.18 0.89 -0.65 2.33 4.39 -1.23 0.94 114.58 121.06 3h4e h GLU 76 Ca 0.00 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 3h4e h GLU 76 Cb 0.17 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 3h4e h GLU 76 CO -0.02 0.75 0.18 0.00 -1.16 0.00 0.00 179.01 178.75 3h4e h ALA 77 N 1.37 0.85 -0.42 3.43 0.00 -1.02 0.19 119.26 123.66 3h4e h ALA 77 Ca 0.20 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3h4e h ALA 77 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3h4e h ALA 77 CO -0.01 0.55 -0.06 0.00 0.00 0.00 0.00 179.25 179.73 3h4e h ALA 78 N 1.07 0.57 -0.56 0.00 0.00 -0.53 -0.81 119.26 119.00 3h4e h ALA 78 Ca 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3h4e h ALA 78 Cb 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3h4e h ALA 78 CO -0.00 0.41 0.24 1.49 0.00 0.00 0.00 179.25 181.39 3h4e h GLU 79 N 0.60 0.79 -0.33 0.00 4.57 -0.63 -1.13 114.58 118.46 3h4e h GLU 79 Ca 0.11 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3h4e h GLU 79 Cb 0.57 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3h4e h GLU 79 CO 0.03 0.64 0.05 2.35 -1.18 0.00 0.00 179.01 180.90 3h4e h TRP 80 N 0.79 0.59 -0.86 0.92 2.91 -0.25 -2.55 115.95 117.49 3h4e h TRP 80 Ca 0.19 -0.08 0.00 0.00 1.13 0.00 0.00 58.89 60.13 3h4e h TRP 80 Cb 0.12 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 28.57 3h4e h TRP 80 CO 0.01 0.63 0.55 -0.44 -1.03 0.00 0.00 178.44 178.16 3h4e h ASP 81 N 0.38 1.00 -0.71 2.65 3.32 -0.70 -2.07 116.42 120.29 3h4e h ASP 81 Ca 0.10 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3h4e h ASP 81 Cb 0.36 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3h4e h ASP 81 CO 0.01 0.74 0.44 -0.09 -1.72 0.00 0.00 179.24 178.62 3h4e h ARG 82 N 1.17 0.95 -0.05 3.56 2.43 -1.03 -2.12 114.38 119.29 3h4e h ARG 82 Ca 0.31 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3h4e h ARG 82 Cb -0.11 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.24 3h4e h ARG 82 CO -0.06 0.66 0.00 1.28 -1.51 0.00 0.00 179.97 180.33 3h4e n LEU 83 N -4.56 0.85 -3.26 3.80 4.77 -0.92 -4.36 117.00 113.32 3h4e n LEU 83 Ca 0.06 -0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 55.49 3h4e n LEU 83 Cb 0.04 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 3h4e n LEU 83 CO 0.36 0.16 -0.26 1.41 -1.33 0.00 0.00 177.39 177.74 3h4e n HIS 84 N -0.28 -1.17 0.24 -1.77 8.25 -0.80 -5.08 115.22 114.60 3h4e n HIS 84 Ca 0.18 -3.12 0.18 0.00 -0.26 0.00 0.00 57.72 54.70 3h4e n HIS 84 Cb 0.22 0.29 0.88 0.00 1.12 0.00 0.00 29.99 32.51 3h4e n HIS 84 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3h4e h PRO 85 N 5.14 0.00 0.00 -0.41 0.11 -1.76 -3.44 132.00 131.64 3h4e h PRO 85 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3h4e h PRO 85 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3h4e h PRO 85 CO 0.36 0.00 0.00 -0.12 -0.21 0.00 0.00 178.00 178.03 3h4e n MET 96 N -3.59 0.00 -2.01 1.05 0.00 -1.26 -5.18 117.12 106.13 3h4e n MET 96 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.70 57.29 3h4e n MET 96 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.49 3h4e n MET 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3h4e s ARG 97 N 0.00 4.27 0.15 2.12 3.52 -1.26 -5.03 118.95 122.73 3h4e s ARG 97 Ca 0.00 2.32 0.03 0.00 -0.13 0.00 0.00 55.73 57.95 3h4e s ARG 97 Cb 0.00 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.28 3h4e s ARG 97 CO 0.00 -0.35 0.24 -1.21 -0.81 0.00 0.00 175.30 173.17 3h4e s GLU 98 N -1.20 3.30 0.18 5.12 2.02 -1.26 -5.08 118.70 121.78 3h4e s GLU 98 Ca 0.54 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.57 3h4e s GLU 98 Cb -0.42 -2.88 -0.08 0.00 0.10 0.00 0.00 34.13 30.85 3h4e s GLU 98 CO 0.50 0.51 1.06 -2.14 0.02 0.00 0.00 175.26 175.22 3h4e s PRO 99 N -3.18 4.64 0.97 0.39 0.02 -1.26 -5.06 135.00 131.52 3h4e s PRO 99 Ca 0.34 1.65 -0.14 0.00 0.02 0.00 0.00 61.00 62.87 3h4e s PRO 99 Cb -0.11 -3.29 0.17 0.00 0.02 0.00 0.00 34.50 31.30 3h4e s PRO 99 CO 0.27 0.16 1.17 1.03 -0.33 0.00 0.00 177.00 179.30 3h4e s ARG 100 N -0.49 0.65 0.17 5.54 1.81 -1.26 -4.88 118.95 120.50 3h4e s ARG 100 Ca 0.48 0.10 -0.15 0.00 -1.72 0.00 0.00 55.73 54.44 3h4e s ARG 100 Cb -0.28 -1.80 0.09 0.00 -0.45 0.00 0.00 34.95 32.50 3h4e s ARG 100 CO 0.34 -2.49 1.78 0.78 -0.68 0.00 0.00 175.30 175.03 3h4e h GLY 101 N -1.71 0.58 2.00 -3.53 0.00 -1.92 -1.67 103.07 96.83 3h4e h GLY 101 Ca -0.48 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3h4e h GLY 101 CO 0.53 0.09 0.00 1.48 0.00 0.00 0.00 176.54 178.64 3h4e h SER 102 N 0.42 0.00 -0.17 0.19 4.64 -1.93 -2.13 113.55 114.56 3h4e h SER 102 Ca 0.19 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.37 3h4e h SER 102 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3h4e h SER 102 CO -0.14 0.00 -0.43 0.44 -0.87 0.00 0.00 176.83 175.84 3h4e h ASP 103 N 0.00 0.67 -0.04 4.97 3.32 -1.64 -0.03 116.42 123.68 3h4e h ASP 103 Ca 0.00 -0.57 -0.08 0.00 0.02 0.00 0.00 57.03 56.40 3h4e h ASP 103 Cb 0.53 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3h4e h ASP 103 CO 0.00 1.12 -0.19 0.40 -1.72 0.00 0.00 179.24 178.86 3h4e h ILE 104 N 0.26 1.24 -0.06 0.35 2.04 -0.89 -2.04 117.51 118.40 3h4e h ILE 104 Ca -0.00 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3h4e h ILE 104 Cb 1.04 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3h4e h ILE 104 CO 0.09 0.34 0.00 0.00 0.00 0.00 0.00 178.15 178.59 3h4e n ALA 105 N -2.48 2.58 -1.08 1.87 0.00 -0.85 -4.64 120.51 115.91 3h4e n ALA 105 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 53.08 3h4e n ALA 105 Cb 0.35 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 3h4e n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h4e n GLY 106 N 1.01 0.57 0.08 0.00 0.00 -0.77 -4.88 105.19 101.21 3h4e n GLY 106 Ca 0.17 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 3h4e n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h4e h THR 107 N 0.00 1.15 0.00 2.61 2.02 -1.25 -3.38 112.91 114.07 3h4e h THR 107 Ca -0.06 -2.92 0.00 0.00 0.77 0.00 0.00 66.41 64.21 3h4e h THR 107 Cb 0.36 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 3h4e h THR 107 CO 0.08 0.71 -0.08 0.35 0.37 0.00 0.00 175.52 176.95 3h4e n THR 108 N -3.23 1.01 -4.41 3.16 -2.24 -0.92 -5.01 114.28 102.63 3h4e n THR 108 Ca -0.12 -1.14 -0.28 0.00 -2.27 0.00 0.00 64.05 60.24 3h4e n THR 108 Cb 1.02 0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 69.44 3h4e n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h4e s SER 109 N -1.52 3.36 0.49 3.42 1.04 -1.26 -4.83 113.70 114.39 3h4e s SER 109 Ca 0.11 -0.82 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 3h4e s SER 109 Cb 0.10 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 3h4e s SER 109 CO 0.01 0.14 0.75 0.42 0.98 0.00 0.00 173.24 175.55 3h4e s THR 110 N -1.42 4.28 0.26 2.02 -4.23 -1.26 -4.88 115.64 110.41 3h4e s THR 110 Ca 0.18 -0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 3h4e s THR 110 Cb -0.09 -3.62 0.24 0.00 1.34 0.00 0.00 72.50 70.37 3h4e s THR 110 CO 0.08 -0.54 1.81 0.25 -0.54 0.00 0.00 174.62 175.68 3h4e h LEU 111 N 0.23 0.73 -0.48 4.79 5.85 -1.99 -1.52 115.31 122.92 3h4e h LEU 111 Ca -0.47 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.34 3h4e h LEU 111 Cb 1.24 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 3h4e h LEU 111 CO 0.60 0.38 0.27 -0.61 -0.34 0.00 0.00 178.44 178.74 3h4e h GLN 112 N 0.82 0.51 -0.07 1.25 4.15 -1.99 0.69 115.11 120.47 3h4e h GLN 112 Ca 0.45 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.83 3h4e h GLN 112 Cb 0.47 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 3h4e h GLN 112 CO -0.28 0.34 0.03 0.93 -1.93 0.00 0.00 178.83 177.92 3h4e h GLU 113 N 0.53 0.10 -0.45 1.69 5.08 -1.87 -0.66 114.58 119.00 3h4e h GLU 113 Ca 0.20 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.63 3h4e h GLU 113 Cb 0.06 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 3h4e h GLU 113 CO -0.11 0.22 -0.03 1.96 -1.00 0.00 0.00 179.01 180.05 3h4e h GLN 114 N -0.04 0.08 -0.84 2.33 4.20 -1.03 0.48 115.11 120.29 3h4e h GLN 114 Ca 0.02 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3h4e h GLN 114 Cb 0.16 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3h4e h GLN 114 CO -0.00 0.05 0.56 0.82 -0.67 0.00 0.00 178.83 179.58 3h4e h ILE 115 N 0.08 1.18 0.26 2.54 2.04 -0.70 -1.31 117.51 121.60 3h4e h ILE 115 Ca 0.22 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3h4e h ILE 115 Cb 0.33 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3h4e h ILE 115 CO -0.40 0.20 -0.21 1.23 0.00 0.00 0.00 178.15 178.97 3h4e h GLY 116 N 1.10 -0.50 0.97 5.37 0.00 0.63 -1.30 103.07 109.34 3h4e h GLY 116 Ca 0.32 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.90 3h4e h GLY 116 CO -0.08 -0.21 0.26 1.49 0.00 0.00 0.00 176.54 178.01 3h4e h TRP 117 N -0.49 0.50 0.00 5.60 6.55 -0.82 -2.02 115.95 125.28 3h4e h TRP 117 Ca -0.01 0.01 -0.10 0.00 0.95 0.00 0.00 58.89 59.74 3h4e h TRP 117 Cb 0.44 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.56 3h4e h TRP 117 CO -0.13 0.31 -0.47 0.52 -1.05 0.00 0.00 178.44 177.61 3h4e h MET 118 N 0.54 0.00 -0.48 0.49 2.86 -1.14 0.13 114.93 117.32 3h4e h MET 118 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3h4e h MET 118 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3h4e h MET 118 CO -0.05 0.47 0.00 0.25 1.06 0.00 0.00 176.91 178.64 3h4e n THR 119 N -3.70 1.12 -1.35 2.22 -2.24 -0.50 -4.68 114.28 105.15 3h4e n THR 119 Ca -0.01 -1.06 -0.29 0.00 -2.27 0.00 0.00 64.05 60.43 3h4e n THR 119 Cb 0.54 0.44 0.14 0.00 -2.10 0.00 0.00 70.33 69.35 3h4e n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3h4e s HIS 120 N -1.14 2.39 -0.28 4.78 5.04 -0.76 -4.92 115.29 120.40 3h4e s HIS 120 Ca 0.34 1.04 -0.00 0.00 -1.54 0.00 0.00 55.06 54.90 3h4e s HIS 120 Cb 0.19 -3.25 0.09 0.00 0.04 0.00 0.00 32.58 29.65 3h4e s HIS 120 CO 0.21 -2.43 0.05 1.21 -2.34 0.00 0.00 174.74 171.44 3h4e s ASN 121 N -3.68 3.93 0.56 9.88 2.47 -1.26 -1.37 114.94 125.48 3h4e s ASN 121 Ca 0.64 -1.49 -0.14 0.00 0.42 0.00 0.00 52.86 52.29 3h4e s ASN 121 Cb -0.17 -1.00 -0.06 0.00 -1.45 0.00 0.00 41.25 38.57 3h4e s ASN 121 CO 0.56 -0.35 1.01 -2.16 -3.72 0.00 0.00 177.10 172.43 3h4e s PRO 122 N 1.50 3.75 0.57 0.43 0.05 -1.26 -5.14 135.00 134.91 3h4e s PRO 122 Ca 0.05 0.89 -0.18 0.00 0.05 0.00 0.00 61.00 61.81 3h4e s PRO 122 Cb -0.18 -2.10 -0.05 0.00 0.05 0.00 0.00 34.50 32.22 3h4e s PRO 122 CO -0.16 -0.44 1.09 -2.14 0.05 0.00 0.00 177.00 175.41 3h4e s PRO 123 N -4.53 3.30 -0.39 0.56 0.02 -0.47 -5.02 135.00 128.47 3h4e s PRO 123 Ca 0.58 1.44 -0.05 0.00 0.02 0.00 0.00 61.00 62.98 3h4e s PRO 123 Cb -0.11 -2.01 0.09 0.00 0.02 0.00 0.00 34.50 32.48 3h4e s PRO 123 CO 0.41 -0.86 0.18 0.42 -0.33 0.00 0.00 177.00 176.82 3h4e s ILE 124 N -2.07 3.56 -1.32 2.83 1.01 0.44 -4.98 121.20 120.67 3h4e s ILE 124 Ca 0.69 -1.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.51 3h4e s ILE 124 Cb -0.20 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3h4e s ILE 124 CO 0.31 -0.50 2.16 -0.81 0.00 0.00 0.00 174.94 176.10 3h4e n PRO 125 N 4.72 2.59 0.14 2.79 -0.05 -1.26 -3.61 135.00 140.31 3h4e n PRO 125 Ca -0.07 -2.47 0.11 0.00 -0.05 0.00 0.00 63.50 61.01 3h4e n PRO 125 Cb 0.42 -3.22 0.61 0.00 -0.05 0.00 0.00 33.50 31.26 3h4e n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 175.50 175.06 3h4e h VAL 126 N 4.14 0.94 0.01 0.52 -1.51 -1.91 0.64 116.25 119.08 3h4e h VAL 126 Ca 0.54 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 65.97 3h4e h VAL 126 Cb 0.65 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 3h4e h VAL 126 CO 1.89 0.02 -0.00 1.23 -1.23 0.00 0.00 177.57 179.48 3h4e h GLY 127 N 0.10 -0.01 1.89 5.19 0.00 -1.83 -1.28 103.07 107.13 3h4e h GLY 127 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 3h4e h GLY 127 CO -0.01 -0.00 -0.55 0.83 0.00 0.00 0.00 176.54 176.81 3h4e h GLU 128 N -0.12 0.11 -0.07 4.80 4.39 -1.39 0.02 114.58 122.32 3h4e h GLU 128 Ca -0.00 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3h4e h GLU 128 Cb 0.12 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3h4e h GLU 128 CO 0.00 0.63 -0.09 0.82 -1.16 0.00 0.00 179.01 179.21 3h4e h ILE 129 N 0.09 1.39 -0.78 3.13 2.04 -0.92 -1.57 117.51 120.89 3h4e h ILE 129 Ca -0.00 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 3h4e h ILE 129 Cb 0.99 2.12 -0.04 0.00 -0.74 0.00 0.00 36.82 39.15 3h4e h ILE 129 CO 0.08 0.36 0.46 0.22 0.00 0.00 0.00 178.15 179.27 3h4e h TYR 130 N -0.29 1.02 -0.65 1.37 3.20 -1.12 -1.53 116.97 118.97 3h4e h TYR 130 Ca 0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3h4e h TYR 130 Cb 0.63 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 3h4e h TYR 130 CO 0.10 0.68 0.29 -0.22 -1.64 0.00 0.00 178.16 177.38 3h4e h LYS 131 N 1.07 0.93 -0.17 1.82 3.64 -0.86 -1.96 116.57 121.04 3h4e h LYS 131 Ca 0.28 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3h4e h LYS 131 Cb -0.04 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 3h4e h LYS 131 CO -0.05 0.73 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.74 3h4e h ARG 132 N 0.92 0.01 -0.51 1.90 2.43 -0.25 -1.39 114.38 117.49 3h4e h ARG 132 Ca 0.22 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3h4e h ARG 132 Cb 0.12 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3h4e h ARG 132 CO -0.03 0.01 0.29 -1.49 -1.51 0.00 0.00 179.97 177.24 3h4e h TRP 133 N 0.01 0.68 -0.44 2.20 6.55 -1.14 -1.63 115.95 122.19 3h4e h TRP 133 Ca 0.08 -0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.92 3h4e h TRP 133 Cb 0.12 -0.22 -0.02 0.00 -0.86 0.00 0.00 29.16 28.17 3h4e h TRP 133 CO -0.19 0.49 0.28 0.82 -1.05 0.00 0.00 178.44 178.80 3h4e h ILE 134 N 0.68 1.10 -0.24 1.49 2.04 -1.19 -1.68 117.51 119.71 3h4e h ILE 134 Ca 0.18 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 3h4e h ILE 134 Cb 0.02 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3h4e h ILE 134 CO -0.03 0.11 -0.14 0.40 0.00 0.00 0.00 178.15 178.49 3h4e h ILE 135 N 0.58 1.22 0.10 -0.67 2.04 -1.01 0.12 117.51 119.89 3h4e h ILE 135 Ca 0.16 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.08 3h4e h ILE 135 Cb -0.05 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3h4e h ILE 135 CO -0.04 0.31 -0.19 -0.07 0.00 0.00 0.00 178.15 178.16 3h4e h LEU 136 N 0.37 -0.52 -0.27 1.44 3.38 -0.85 -0.68 115.31 118.18 3h4e h LEU 136 Ca 0.07 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3h4e h LEU 136 Cb 0.46 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3h4e h LEU 136 CO 0.03 -0.27 0.03 1.23 0.09 0.00 0.00 178.44 179.55 3h4e h GLY 137 N -0.36 0.28 0.64 0.83 0.00 -0.61 -2.12 103.07 101.74 3h4e h GLY 137 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.44 3h4e h GLY 137 CO -0.10 -0.03 0.64 1.41 0.00 0.00 0.00 176.54 178.46 3h4e h LEU 138 N 0.12 0.98 -0.49 3.11 3.38 -0.63 -2.23 115.31 119.56 3h4e h LEU 138 Ca 0.12 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3h4e h LEU 138 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3h4e h LEU 138 CO -0.18 0.58 0.20 0.78 0.09 0.00 0.00 178.44 179.91 3h4e h ASN 139 N 1.08 0.67 -0.55 -0.43 2.35 -0.46 0.18 115.58 118.42 3h4e h ASN 139 Ca 0.45 -0.16 0.07 0.00 -0.55 0.00 0.00 56.30 56.11 3h4e h ASN 139 Cb 0.31 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 3h4e h ASN 139 CO -0.21 0.65 0.23 0.11 -1.65 0.00 0.00 177.43 176.56 3h4e h LYS 140 N 0.65 0.43 -0.47 0.81 1.57 -1.04 -1.19 116.57 117.33 3h4e h LYS 140 Ca 0.16 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3h4e h LYS 140 Cb 0.18 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3h4e h LYS 140 CO -0.01 0.28 0.23 0.82 -0.57 0.00 0.00 179.45 180.20 3h4e h ILE 141 N 0.44 1.19 -0.90 1.86 2.04 -0.81 -1.26 117.51 120.07 3h4e h ILE 141 Ca 0.26 -0.53 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3h4e h ILE 141 Cb 0.25 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3h4e h ILE 141 CO -0.23 0.21 0.57 0.58 0.00 0.00 0.00 178.15 179.28 3h4e h VAL 142 N 0.62 1.10 -0.19 1.67 2.07 -0.55 -0.36 116.25 120.62 3h4e h VAL 142 Ca 0.16 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3h4e h VAL 142 Cb 0.12 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 3h4e h VAL 142 CO -0.02 0.20 0.08 0.03 0.02 0.00 0.00 177.57 177.87 3h4e h ARG 143 N 1.08 0.28 -0.61 1.57 3.08 -0.78 -2.83 114.38 116.17 3h4e h ARG 143 Ca 0.38 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.33 3h4e h ARG 143 Cb 0.09 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3h4e h ARG 143 CO -0.15 0.34 0.20 0.52 -1.07 0.00 0.00 179.97 179.81 3h4e h MET 144 N 0.15 0.91 -0.01 0.04 2.86 -0.86 -2.82 114.93 115.21 3h4e h MET 144 Ca 0.06 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3h4e h MET 144 Cb 0.17 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3h4e h MET 144 CO -0.01 0.78 -0.00 0.66 1.06 0.00 0.00 176.91 179.40 3h4e n TYR 145 N -4.29 0.00 -1.84 -0.22 4.02 -0.18 -4.81 117.16 109.84 3h4e n TYR 145 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 3h4e n TYR 145 Cb 0.20 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.49 3h4e n TYR 145 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3h4e s SER 146 N -2.01 6.36 0.49 7.72 0.15 -1.06 -4.88 113.70 120.46 3h4e s SER 146 Ca 0.43 2.24 0.16 0.00 0.70 0.00 0.00 55.95 59.48 3h4e s SER 146 Cb 0.22 -2.53 1.17 0.00 -1.71 0.00 0.00 66.02 63.17 3h4e s SER 146 CO 0.36 -1.18 2.08 -0.65 1.20 0.00 0.00 173.24 175.05 3h4e h PRO 147 N 10.95 0.00 -3.14 5.44 0.11 -1.90 -3.43 132.00 140.03 3h4e h PRO 147 Ca -0.42 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.46 3h4e h PRO 147 Cb 1.20 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.00 3h4e h PRO 147 CO 0.96 0.08 -0.56 0.99 -0.21 0.00 0.00 178.00 179.26 3h4e s THR 148 N -4.87 -0.08 0.70 -1.15 2.01 -1.26 -5.14 115.64 105.86 3h4e s THR 148 Ca -0.05 0.19 -0.16 0.00 0.31 0.00 0.00 61.69 61.98 3h4e s THR 148 Cb 0.16 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.39 3h4e s THR 148 CO 0.68 0.08 1.17 -0.24 -0.69 0.00 0.00 174.62 175.61 3h4e n SER 149 N 4.35 1.33 0.26 3.53 2.88 -1.26 -4.88 113.62 119.82 3h4e n SER 149 Ca -0.24 0.73 0.11 0.00 -1.33 0.00 0.00 58.87 58.14 3h4e n SER 149 Cb 0.52 -1.50 0.70 0.00 -0.75 0.00 0.00 64.21 63.18 3h4e n SER 149 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 3h4e h ILE 150 N -0.03 0.69 0.00 2.46 6.09 -1.97 -2.19 117.51 122.57 3h4e h ILE 150 Ca -0.49 -0.49 -0.01 0.00 -1.37 0.00 0.00 64.86 62.50 3h4e h ILE 150 Cb 1.33 1.30 -0.00 0.00 0.47 0.00 0.00 36.82 39.92 3h4e h ILE 150 CO 0.50 0.12 -0.04 -0.07 -3.07 0.00 0.00 178.15 175.59 3h4e h LEU 151 N 0.00 0.00 -1.90 2.19 3.38 -2.00 -2.70 115.31 114.28 3h4e h LEU 151 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h4e h LEU 151 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3h4e h LEU 151 CO 0.02 0.04 0.00 0.47 0.09 0.00 0.00 178.44 179.05 3h4e n ASP 152 N -3.20 2.77 -4.43 -0.43 8.00 -0.82 -4.81 116.55 113.62 3h4e n ASP 152 Ca -0.01 -1.99 -0.44 0.00 0.71 0.00 0.00 54.79 53.06 3h4e n ASP 152 Cb 0.24 -0.34 -0.07 0.00 -0.02 0.00 0.00 41.12 40.93 3h4e n ASP 152 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h4e s ILE 153 N -1.33 5.02 -0.02 0.53 -1.09 -1.02 -5.03 121.20 118.26 3h4e s ILE 153 Ca 0.35 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 3h4e s ILE 153 Cb 0.18 -4.20 0.02 0.00 -1.58 0.00 0.00 42.46 36.87 3h4e s ILE 153 CO 0.24 -0.67 -0.03 -0.13 -1.23 0.00 0.00 174.94 173.12 3h4e s ARG 154 N 2.25 0.46 0.13 2.79 3.00 -1.26 -4.80 118.95 121.51 3h4e s ARG 154 Ca 0.11 -0.05 -0.31 0.00 0.00 0.00 0.00 55.73 55.48 3h4e s ARG 154 Cb -0.20 -0.53 -0.10 0.00 0.00 0.00 0.00 34.95 34.11 3h4e s ARG 154 CO 0.11 -0.04 1.81 -1.14 0.00 0.00 0.00 175.30 176.04 3h4e s GLN 155 N 0.61 4.14 0.91 3.54 0.74 -0.28 -4.96 119.66 124.36 3h4e s GLN 155 Ca -0.07 2.58 -0.12 0.00 0.05 0.00 0.00 55.36 57.80 3h4e s GLN 155 Cb -0.10 -3.55 0.06 0.00 1.10 0.00 0.00 33.01 30.52 3h4e s GLN 155 CO -0.01 -0.83 0.64 0.41 -0.55 0.00 0.00 175.29 174.95 3h4e n GLY 156 N 4.20 -1.47 0.14 2.59 0.00 -1.26 -4.23 105.19 105.16 3h4e n GLY 156 Ca 0.17 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 3h4e n GLY 156 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h4e h PRO 157 N -1.49 0.01 -0.02 1.61 0.11 -2.01 -3.13 132.00 127.07 3h4e h PRO 157 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3h4e h PRO 157 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3h4e h PRO 157 CO 0.37 0.62 -0.08 1.63 -0.21 0.00 0.00 178.00 180.33 3h4e n LYS 158 N -3.80 1.37 -3.04 1.05 4.01 -1.26 -4.99 118.16 111.50 3h4e n LYS 158 Ca -0.01 -1.28 -0.40 0.00 -0.51 0.00 0.00 58.31 56.11 3h4e n LYS 158 Cb 0.62 -1.29 -0.05 0.00 -0.51 0.00 0.00 35.03 33.80 3h4e n LYS 158 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 3h4e s GLU 159 N -1.47 4.31 0.64 1.97 2.12 -1.19 -5.04 118.70 120.05 3h4e s GLU 159 Ca 0.17 0.81 -0.18 0.00 0.36 0.00 0.00 54.97 56.12 3h4e s GLU 159 Cb 0.13 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 3h4e s GLU 159 CO 0.25 -0.15 1.29 -2.30 -0.54 0.00 0.00 175.26 173.81 3h4e n PRO 160 N 4.63 1.17 -0.14 4.30 -0.02 -1.26 -4.65 135.00 139.03 3h4e n PRO 160 Ca 0.00 0.45 -0.07 0.00 -2.02 0.00 0.00 63.50 61.87 3h4e n PRO 160 Cb 0.50 -2.53 0.02 0.00 -0.02 0.00 0.00 33.50 31.47 3h4e n PRO 160 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3h4e h PHE 161 N 0.62 0.47 -0.50 6.00 3.57 -1.96 -2.71 116.94 122.42 3h4e h PHE 161 Ca -0.51 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.09 3h4e h PHE 161 Cb 1.34 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 3h4e h PHE 161 CO 0.41 0.27 0.08 -0.09 -2.23 0.00 0.00 178.31 176.75 3h4e h ARG 162 N 0.50 0.20 -0.24 1.11 2.43 -1.91 0.12 114.38 116.59 3h4e h ARG 162 Ca 0.17 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3h4e h ARG 162 Cb 0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3h4e h ARG 162 CO -0.08 0.13 0.11 -0.44 -1.51 0.00 0.00 179.97 178.18 3h4e h ASP 163 N 0.20 0.30 -0.06 -3.80 3.32 -1.86 0.37 116.42 114.89 3h4e h ASP 163 Ca 0.25 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.10 3h4e h ASP 163 Cb 0.35 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.84 3h4e h ASP 163 CO -0.35 0.27 -0.68 0.22 -1.72 0.00 0.00 179.24 176.98 3h4e h TYR 164 N 0.34 0.80 -0.66 4.55 3.20 -0.85 -2.68 116.97 121.66 3h4e h TYR 164 Ca 0.09 -0.39 -0.03 0.00 3.14 0.00 0.00 58.73 61.54 3h4e h TYR 164 Cb 0.05 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3h4e h TYR 164 CO 0.00 1.20 0.30 0.28 -1.64 0.00 0.00 178.16 178.30 3h4e h VAL 165 N 0.17 1.23 -0.38 1.81 2.07 -0.38 -0.54 116.25 120.23 3h4e h VAL 165 Ca -0.07 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 66.85 3h4e h VAL 165 Cb 1.34 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 3h4e h VAL 165 CO 0.14 0.27 -0.12 0.44 0.02 0.00 0.00 177.57 178.32 3h4e h ASP 166 N 0.92 -0.42 -0.65 0.57 3.45 -0.96 -0.75 116.42 118.59 3h4e h ASP 166 Ca 0.22 0.12 -0.07 0.00 0.43 0.00 0.00 57.03 57.73 3h4e h ASP 166 Cb 0.15 0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.16 3h4e h ASP 166 CO -0.02 -0.15 0.11 0.03 -1.57 0.00 0.00 179.24 177.64 3h4e h ARG 167 N -0.03 1.07 0.36 3.56 3.08 -1.12 -0.60 114.38 120.71 3h4e h ARG 167 Ca 0.18 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3h4e h ARG 167 Cb 0.31 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3h4e h ARG 167 CO -0.41 0.98 -0.35 0.35 -1.07 0.00 0.00 179.97 179.47 3h4e h PHE 168 N 0.99 -0.96 0.00 3.04 3.57 -0.53 -1.46 116.94 121.59 3h4e h PHE 168 Ca 0.20 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 3h4e h PHE 168 Cb 0.43 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 3h4e h PHE 168 CO 0.03 -0.50 -0.68 1.88 -2.23 0.00 0.00 178.31 176.81 3h4e h TYR 169 N -0.74 0.00 -0.61 0.41 0.05 -1.09 -0.40 116.97 114.59 3h4e h TYR 169 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3h4e h TYR 169 Cb 0.66 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.37 3h4e h TYR 169 CO -0.20 0.68 0.39 -0.22 -1.05 0.00 0.00 178.16 177.76 3h4e h LYS 170 N 0.00 0.82 -0.30 4.88 1.63 -1.06 -0.79 116.57 121.75 3h4e h LYS 170 Ca -0.01 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.64 3h4e h LYS 170 Cb 1.21 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 3h4e h LYS 170 CO 0.09 0.57 -0.18 1.15 -3.45 0.00 0.00 179.45 177.63 3h4e h THR 171 N 0.83 1.30 -0.81 1.00 2.02 -0.96 -2.61 112.91 113.69 3h4e h THR 171 Ca 0.22 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 3h4e h THR 171 Cb -0.06 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 3h4e h THR 171 CO -0.04 0.42 0.39 0.25 0.37 0.00 0.00 175.52 176.91 3h4e h LEU 172 N 0.40 1.05 -0.29 2.58 5.85 -0.95 -2.67 115.31 121.28 3h4e h LEU 172 Ca 0.06 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3h4e h LEU 172 Cb 0.72 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3h4e h LEU 172 CO 0.05 0.88 0.07 -0.09 -0.34 0.00 0.00 178.44 179.01 3h4e h ARG 173 N 1.15 0.46 -0.24 1.25 2.43 -1.06 -2.32 114.38 116.06 3h4e h ARG 173 Ca 0.28 -0.11 0.07 0.00 -0.81 0.00 0.00 59.98 59.41 3h4e h ARG 173 Cb 0.11 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3h4e h ARG 173 CO -0.04 0.55 0.21 0.00 -1.51 0.00 0.00 179.97 179.19 3h4e h ALA 174 N 0.89 2.02 -0.55 2.80 0.00 -1.21 -1.92 119.26 121.30 3h4e h ALA 174 Ca 0.09 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3h4e h ALA 174 Cb 0.30 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 3h4e h ALA 174 CO 0.00 -0.34 0.19 0.39 0.00 0.00 0.00 179.25 179.50 3h4e n GLU 175 N -4.08 3.15 0.00 0.00 1.02 -0.87 -2.97 120.64 116.88 3h4e n GLU 175 Ca 0.03 -2.31 0.00 0.00 -0.02 0.00 0.00 57.16 54.86 3h4e n GLU 175 Cb 0.36 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3h4e n GLU 175 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3h4e n GLN 176 N 0.00 0.00 0.00 3.49 6.02 -0.72 -4.99 117.38 121.17 3h4e n GLN 176 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 3h4e n GLN 176 Cb 1.12 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.38 3h4e n GLN 176 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3h4e n THR 188 N 0.00 0.00 0.53 5.09 -1.04 -1.26 -4.76 114.28 112.85 3h4e n THR 188 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 3h4e n THR 188 Cb 0.00 0.00 0.44 0.00 -1.82 0.00 0.00 70.33 68.95 3h4e n THR 188 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h4e n LEU 189 N 0.00 0.43 -0.14 -4.42 -0.00 -1.26 -3.14 117.00 108.48 3h4e n LEU 189 Ca 0.00 0.58 -0.10 0.00 -0.00 0.00 0.00 56.01 56.49 3h4e n LEU 189 Cb 0.00 -0.50 -0.01 0.00 -0.00 0.00 0.00 43.42 42.90 3h4e n LEU 189 CO 0.00 -0.34 0.78 0.25 -0.00 0.00 0.00 177.39 178.08 3h4e h LEU 190 N 0.00 0.70 -0.41 1.47 5.85 -1.98 -3.03 115.31 117.91 3h4e h LEU 190 Ca 0.00 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 3h4e h LEU 190 Cb 0.41 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3h4e h LEU 190 CO 0.00 0.84 0.03 -0.37 -0.34 0.00 0.00 178.44 178.60 3h4e h VAL 191 N 0.54 1.25 -1.00 1.05 -1.51 -1.97 -3.05 116.25 111.57 3h4e h VAL 191 Ca 0.11 -0.95 0.18 0.00 -1.23 0.00 0.00 66.70 64.80 3h4e h VAL 191 Cb 0.49 1.07 -0.10 0.00 -2.13 0.00 0.00 31.29 30.62 3h4e h VAL 191 CO 0.02 0.33 0.61 0.06 -1.23 0.00 0.00 177.57 177.35 3h4e h GLN 192 N 0.54 0.77 -0.23 5.19 -0.00 -1.65 -2.40 115.11 117.34 3h4e h GLN 192 Ca 0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 3h4e h GLN 192 Cb 0.43 -0.17 0.00 0.00 -0.00 0.00 0.00 27.48 27.74 3h4e h GLN 192 CO 0.02 0.51 0.00 0.09 -0.00 0.00 0.00 178.83 179.45 3h4e n ASN 193 N -4.75 2.41 -4.78 0.06 3.02 -1.15 -4.93 115.26 105.14 3h4e n ASN 193 Ca 0.22 -1.83 -0.33 0.00 -0.03 0.00 0.00 54.58 52.62 3h4e n ASN 193 Cb 0.53 -0.15 0.04 0.00 -0.61 0.00 0.00 39.78 39.59 3h4e n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h4e s ALA 194 N -1.71 2.54 1.04 5.41 0.00 -0.90 -1.13 121.76 127.01 3h4e s ALA 194 Ca 0.34 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 3h4e s ALA 194 Cb 0.20 -3.30 0.21 0.00 0.00 0.00 0.00 23.12 20.23 3h4e s ALA 194 CO 0.29 -1.15 1.07 0.54 0.00 0.00 0.00 175.76 176.51 3h4e s ASN 195 N -2.61 2.11 0.11 0.00 2.20 -1.26 -4.61 114.94 110.87 3h4e s ASN 195 Ca 0.66 1.55 -0.27 0.00 -0.94 0.00 0.00 52.86 53.86 3h4e s ASN 195 Cb -0.19 -2.23 -0.09 0.00 -2.00 0.00 0.00 41.25 36.73 3h4e s ASN 195 CO 0.40 -3.50 1.64 -0.65 -2.94 0.00 0.00 177.10 172.04 3h4e h PRO 196 N -2.15 -0.47 -0.27 3.55 0.11 -1.94 -0.09 132.00 130.75 3h4e h PRO 196 Ca -0.55 0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.66 3h4e h PRO 196 Cb 1.31 0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.45 3h4e h PRO 196 CO 0.51 -0.31 -0.26 -0.44 -0.21 0.00 0.00 178.00 177.29 3h4e h ASP 197 N -0.49 -0.85 0.16 -2.05 5.19 -1.98 -2.73 116.42 113.67 3h4e h ASP 197 Ca 0.02 0.15 -0.16 0.00 -0.62 0.00 0.00 57.03 56.43 3h4e h ASP 197 Cb 0.50 0.40 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 3h4e h ASP 197 CO -0.14 -0.29 -0.59 0.00 -3.12 0.00 0.00 179.24 175.10 3h4e h LYS 199 N 0.33 1.09 -0.03 0.00 1.63 -0.72 0.17 116.57 119.03 3h4e h LYS 199 Ca -0.00 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 3h4e h LYS 199 Cb 1.12 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 32.50 3h4e h LYS 199 CO 0.10 0.72 -0.02 0.00 -3.45 0.00 0.00 179.45 176.80 3h4e h THR 200 N 1.12 1.35 -0.76 1.00 1.03 -1.47 -1.29 112.91 113.89 3h4e h THR 200 Ca 0.37 -1.09 0.06 0.00 -0.01 0.00 0.00 66.41 65.75 3h4e h THR 200 Cb 0.07 2.01 -0.05 0.00 -1.07 0.00 0.00 68.15 69.11 3h4e h THR 200 CO -0.12 0.29 0.50 0.40 -0.01 0.00 0.00 175.52 176.58 3h4e h ILE 201 N -0.35 1.04 -0.04 0.00 2.04 -1.37 -1.58 117.51 117.25 3h4e h ILE 201 Ca 0.01 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 3h4e h ILE 201 Cb 0.48 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3h4e h ILE 201 CO 0.01 0.15 -0.16 -0.07 0.00 0.00 0.00 178.15 178.08 3h4e h LEU 202 N 0.82 0.20 -2.51 1.44 3.38 -0.59 -2.91 115.31 115.14 3h4e h LEU 202 Ca 0.33 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3h4e h LEU 202 Cb 0.23 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3h4e h LEU 202 CO -0.11 0.82 0.00 0.07 0.09 0.00 0.00 178.44 179.31 3h4e h LYS 203 N -0.40 0.00 -0.24 1.13 -0.00 -1.04 -1.84 116.57 114.17 3h4e h LYS 203 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.50 3h4e h LYS 203 Cb 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.03 3h4e h LYS 203 CO 0.03 0.00 -0.44 0.00 -0.00 0.00 0.00 179.45 179.04 3h4e h ALA 204 N 2.00 0.79 0.00 0.07 0.00 -1.11 -2.51 119.26 118.49 3h4e h ALA 204 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3h4e h ALA 204 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3h4e h ALA 204 CO -0.00 0.66 0.00 -0.07 0.00 0.00 0.00 179.25 179.84 3h4e h LEU 205 N 0.48 0.00 0.00 0.00 3.38 -1.14 -3.49 115.31 114.54 3h4e h LEU 205 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3h4e h LEU 205 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3h4e h LEU 205 CO 0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.23 3h4e n GLY 206 N -0.38 -2.16 3.83 0.83 0.00 -0.95 -4.83 105.19 101.53 3h4e n GLY 206 Ca 0.00 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 3h4e n GLY 206 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h4e s PRO 207 N -0.28 2.77 -0.56 1.61 0.02 -1.26 -4.18 135.00 133.11 3h4e s PRO 207 Ca 0.00 0.78 0.00 0.00 0.02 0.00 0.00 61.00 61.80 3h4e s PRO 207 Cb 0.00 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3h4e s PRO 207 CO 0.00 -1.17 0.00 0.41 -0.33 0.00 0.00 177.00 175.91 3h4e n GLY 208 N -2.24 0.61 3.75 0.52 0.00 -1.26 -5.02 105.19 101.55 3h4e n GLY 208 Ca 0.07 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 3h4e n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4e s ALA 209 N -2.23 3.34 0.53 4.61 0.00 -1.26 -5.06 121.76 121.69 3h4e s ALA 209 Ca 0.00 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 3h4e s ALA 209 Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 3h4e s ALA 209 CO 0.00 0.10 1.07 0.95 0.00 0.00 0.00 175.76 177.88 3h4e s THR 210 N -0.40 3.59 0.39 0.00 -4.23 -1.26 -4.90 115.64 108.84 3h4e s THR 210 Ca 0.41 0.93 0.10 0.00 -1.18 0.00 0.00 61.69 61.96 3h4e s THR 210 Cb -0.23 -3.38 0.32 0.00 1.34 0.00 0.00 72.50 70.56 3h4e s THR 210 CO 0.27 -0.27 1.93 0.25 -0.54 0.00 0.00 174.62 176.26 3h4e h LEU 211 N 1.18 0.54 -0.46 4.79 5.85 -1.99 -0.52 115.31 124.70 3h4e h LEU 211 Ca -0.49 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3h4e h LEU 211 Cb 1.23 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3h4e h LEU 211 CO 0.58 0.31 0.29 -0.08 -0.34 0.00 0.00 178.44 179.20 3h4e h GLU 212 N 0.59 0.63 -0.47 1.25 4.81 -1.99 -1.31 114.58 118.08 3h4e h GLU 212 Ca 0.35 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3h4e h GLU 212 Cb 0.57 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3h4e h GLU 212 CO -0.13 0.45 0.19 0.93 -0.73 0.00 0.00 179.01 179.72 3h4e h GLU 213 N 0.62 0.71 -0.81 1.92 5.08 -1.51 -1.24 114.58 119.35 3h4e h GLU 213 Ca 0.17 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3h4e h GLU 213 Cb -0.02 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 3h4e h GLU 213 CO -0.03 0.64 0.53 0.52 -1.00 0.00 0.00 179.01 179.66 3h4e h MET 214 N 0.62 1.03 -0.04 2.33 2.86 -1.04 -1.55 114.93 119.14 3h4e h MET 214 Ca 0.16 -0.06 -0.18 0.00 -2.06 0.00 0.00 59.70 57.56 3h4e h MET 214 Cb 0.19 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 3h4e h MET 214 CO -0.01 0.68 -0.76 0.52 1.06 0.00 0.00 176.91 178.39 3h4e h MET 215 N 1.06 0.28 -0.65 1.72 2.86 -1.00 -2.63 114.93 116.56 3h4e h MET 215 Ca 0.31 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 3h4e h MET 215 Cb -0.06 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 3h4e h MET 215 CO -0.09 0.91 0.11 1.15 1.06 0.00 0.00 176.91 180.05 3h4e h THR 216 N 0.18 1.26 -0.88 2.22 2.02 -1.05 -3.15 112.91 113.52 3h4e h THR 216 Ca -0.03 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 3h4e h THR 216 Cb 1.34 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 3h4e h THR 216 CO 0.12 0.39 0.47 0.00 0.37 0.00 0.00 175.52 176.87 3h4e h ALA 217 N 1.04 1.19 -0.61 6.16 0.00 -1.04 -3.15 119.26 122.84 3h4e h ALA 217 Ca 0.20 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3h4e h ALA 217 Cb 0.44 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3h4e h ALA 217 CO 0.01 0.65 0.10 0.00 0.00 0.00 0.00 179.25 180.02