#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9d s ILE 2 N 0.00 2.25 0.19 4.25 1.01 -1.26 -0.14 121.20 127.51 1m9d s ILE 2 Ca 0.00 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1m9d s ILE 2 Cb 0.00 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 1m9d s ILE 2 CO 0.00 0.56 -0.05 0.68 0.00 0.00 0.00 174.94 176.13 1m9d s VAL 3 N 0.17 1.12 -0.24 2.92 -7.23 -0.31 -4.94 120.40 111.89 1m9d s VAL 3 Ca -0.13 -2.05 -0.12 0.00 -1.81 0.00 0.00 61.98 57.87 1m9d s VAL 3 Cb -0.16 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 1m9d s VAL 3 CO 0.07 -0.53 0.22 -1.58 -0.31 0.00 0.00 175.10 172.98 1m9d s GLN 4 N -3.80 4.08 0.90 4.82 0.74 -1.26 0.51 119.66 125.64 1m9d s GLN 4 Ca 0.23 -0.16 -0.12 0.00 0.05 0.00 0.00 55.36 55.36 1m9d s GLN 4 Cb 0.04 -3.56 0.18 0.00 1.10 0.00 0.00 33.01 30.77 1m9d s GLN 4 CO 0.05 -0.00 1.24 0.54 -0.55 0.00 0.00 175.29 176.57 1m9d s ASN 5 N 1.16 3.47 0.57 6.67 2.20 0.40 -4.86 114.94 124.54 1m9d s ASN 5 Ca 0.10 0.15 0.31 0.00 -0.94 0.00 0.00 52.86 52.48 1m9d s ASN 5 Cb -0.14 -0.29 1.74 0.00 -2.00 0.00 0.00 41.25 40.56 1m9d s ASN 5 CO 0.06 -2.49 2.19 -0.07 -2.94 0.00 0.00 177.10 173.85 1m9d h LEU 6 N -1.36 0.00 0.00 3.54 4.07 -1.98 0.24 115.31 119.82 1m9d h LEU 6 Ca -0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1m9d h LEU 6 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1m9d h LEU 6 CO 0.40 0.05 0.00 0.00 -1.08 0.00 0.00 178.44 177.81 1m9d n GLN 7 N -3.66 0.70 -1.03 1.13 1.13 -1.26 -4.83 117.38 109.56 1m9d n GLN 7 Ca -0.02 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.02 1m9d n GLN 7 Cb 0.15 -1.43 -0.00 0.00 0.11 0.00 0.00 30.24 29.06 1m9d n GLN 7 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1m9d n GLY 8 N 0.36 0.48 3.67 1.08 0.00 0.84 -5.04 105.19 106.58 1m9d n GLY 8 Ca 0.14 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1m9d n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m9d s GLN 9 N -1.88 2.77 -0.31 1.61 -1.52 -1.23 -4.83 119.66 114.26 1m9d s GLN 9 Ca 0.00 -0.61 -0.27 0.00 -1.95 0.00 0.00 55.36 52.53 1m9d s GLN 9 Cb 0.00 -2.65 0.01 0.00 -0.22 0.00 0.00 33.01 30.15 1m9d s GLN 9 CO 0.00 0.63 0.99 -1.64 -0.25 0.00 0.00 175.29 175.02 1m9d s MET 10 N -1.46 4.05 0.17 2.91 -1.94 -1.26 -0.45 119.30 121.32 1m9d s MET 10 Ca 0.18 0.95 0.08 0.00 -1.71 0.00 0.00 55.69 55.19 1m9d s MET 10 Cb -0.11 -3.73 -0.04 0.00 2.01 0.00 0.00 34.83 32.95 1m9d s MET 10 CO 0.09 -0.82 -0.16 0.14 -0.01 0.00 0.00 175.02 174.26 1m9d s VAL 11 N 3.43 1.69 0.10 -6.03 -7.23 0.18 -4.92 120.40 107.62 1m9d s VAL 11 Ca 0.42 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 1m9d s VAL 11 Cb -0.13 -1.88 -0.07 0.00 0.56 0.00 0.00 36.38 34.87 1m9d s VAL 11 CO 0.14 -0.46 1.21 -2.28 -0.31 0.00 0.00 175.10 173.40 1m9d s HIS 12 N -2.49 3.43 -0.06 2.82 5.65 -1.26 -1.16 115.29 122.21 1m9d s HIS 12 Ca 0.17 1.32 0.06 0.00 0.25 0.00 0.00 55.06 56.86 1m9d s HIS 12 Cb -0.03 -3.44 -0.01 0.00 -1.18 0.00 0.00 32.58 27.92 1m9d s HIS 12 CO 0.06 -1.32 -0.24 -1.14 -0.65 0.00 0.00 174.74 171.45 1m9d s GLN 13 N 0.67 2.54 0.59 2.88 0.74 0.80 -4.91 119.66 122.98 1m9d s GLN 13 Ca 0.57 -0.87 -0.13 0.00 0.05 0.00 0.00 55.36 54.98 1m9d s GLN 13 Cb -0.31 -2.12 -0.05 0.00 1.10 0.00 0.00 33.01 31.64 1m9d s GLN 13 CO 0.31 0.33 1.02 0.00 -0.55 0.00 0.00 175.29 176.41 1m9d s ALA 14 N -0.06 3.02 0.26 1.58 0.00 -1.26 0.40 121.76 125.69 1m9d s ALA 14 Ca -0.06 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 1m9d s ALA 14 Cb -0.14 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1m9d s ALA 14 CO 0.04 -0.61 1.45 0.42 0.00 0.00 0.00 175.76 177.05 1m9d s ILE 15 N -2.94 2.61 0.35 0.00 1.01 -1.26 -4.72 121.20 116.25 1m9d s ILE 15 Ca 0.57 0.52 -0.28 0.00 0.00 0.00 0.00 60.65 61.46 1m9d s ILE 15 Cb -0.11 -3.33 -0.12 0.00 0.01 0.00 0.00 42.46 38.91 1m9d s ILE 15 CO 0.46 0.09 1.36 -0.24 0.00 0.00 0.00 174.94 176.61 1m9d n SER 16 N 2.20 3.13 0.26 3.58 2.88 -1.26 -4.84 113.62 119.58 1m9d n SER 16 Ca 0.06 1.21 0.10 0.00 -1.33 0.00 0.00 58.87 58.92 1m9d n SER 16 Cb 0.40 -1.53 0.68 0.00 -0.75 0.00 0.00 64.21 63.01 1m9d n SER 16 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1m9d h PRO 17 N 2.74 0.00 -0.69 -1.46 0.13 -1.99 -0.94 132.00 129.79 1m9d h PRO 17 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1m9d h PRO 17 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1m9d h PRO 17 CO 0.63 0.11 0.27 0.00 -0.23 0.00 0.00 178.00 178.79 1m9d h ARG 18 N 0.00 1.04 -0.25 0.86 3.08 -1.98 0.96 114.38 118.08 1m9d h ARG 18 Ca -0.00 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 59.72 1m9d h ARG 18 Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1m9d h ARG 18 CO 0.01 0.86 -0.40 1.15 -1.07 0.00 0.00 179.97 180.53 1m9d h THR 19 N 0.98 1.30 -0.94 2.04 2.02 -1.80 0.39 112.91 116.90 1m9d h THR 19 Ca 0.23 -1.56 0.04 0.00 0.77 0.00 0.00 66.41 65.90 1m9d h THR 19 Cb 0.22 1.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 1m9d h THR 19 CO -0.02 0.49 0.61 -0.07 0.37 0.00 0.00 175.52 176.90 1m9d h LEU 20 N 0.48 1.00 -0.47 2.58 3.38 -0.87 -1.68 115.31 119.74 1m9d h LEU 20 Ca 0.04 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1m9d h LEU 20 Cb 0.90 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1m9d h LEU 20 CO 0.08 0.67 -0.02 0.78 0.09 0.00 0.00 178.44 180.03 1m9d h ASN 21 N 1.15 0.83 -0.90 -0.43 2.35 -0.43 -0.66 115.58 117.49 1m9d h ASN 21 Ca 0.39 -0.32 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1m9d h ASN 21 Cb 0.06 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.14 1m9d h ASN 21 CO -0.14 0.95 0.58 0.00 -1.65 0.00 0.00 177.43 177.18 1m9d h ALA 22 N 0.91 1.53 -0.15 -0.83 0.00 0.00 -1.75 119.26 118.98 1m9d h ALA 22 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1m9d h ALA 22 Cb 0.54 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1m9d h ALA 22 CO 0.03 0.32 -0.02 2.35 0.00 0.00 0.00 179.25 181.94 1m9d h TRP 23 N 1.00 0.30 -0.95 0.00 2.91 -0.83 -2.27 115.95 116.11 1m9d h TRP 23 Ca 0.39 -0.06 0.11 0.00 1.13 0.00 0.00 58.89 60.46 1m9d h TRP 23 Cb 0.23 -0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 28.73 1m9d h TRP 23 CO -0.00 0.52 0.61 0.28 -1.03 0.00 0.00 178.44 178.82 1m9d h VAL 24 N -0.00 0.94 -0.55 2.65 2.07 -0.78 -1.04 116.25 119.52 1m9d h VAL 24 Ca 0.04 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1m9d h VAL 24 Cb 0.41 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1m9d h VAL 24 CO 0.01 0.17 -0.08 0.11 0.02 0.00 0.00 177.57 177.80 1m9d h LYS 25 N 0.93 1.02 -0.44 1.57 1.79 -1.11 0.50 116.57 120.82 1m9d h LYS 25 Ca 0.46 -0.36 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1m9d h LYS 25 Cb 0.47 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1m9d h LYS 25 CO -0.22 1.05 0.10 0.28 -1.08 0.00 0.00 179.45 179.58 1m9d h VAL 26 N 0.90 1.23 -0.32 0.50 2.07 -0.84 -1.59 116.25 118.22 1m9d h VAL 26 Ca 0.15 -0.82 -0.13 0.00 0.82 0.00 0.00 66.70 66.71 1m9d h VAL 26 Cb 0.64 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1m9d h VAL 26 CO 0.04 0.29 -0.35 0.58 0.02 0.00 0.00 177.57 178.15 1m9d h VAL 27 N 0.58 1.28 -0.17 2.57 2.07 -0.96 0.23 116.25 121.85 1m9d h VAL 27 Ca 0.14 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1m9d h VAL 27 Cb 0.33 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1m9d h VAL 27 CO 0.00 0.49 0.08 1.05 0.02 0.00 0.00 177.57 179.21 1m9d h GLU 28 N 0.60 0.25 0.00 1.57 4.11 0.26 0.08 114.58 121.44 1m9d h GLU 28 Ca 0.06 -0.04 -0.29 0.00 0.07 0.00 0.00 59.36 59.16 1m9d h GLU 28 Cb 0.88 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 1m9d h GLU 28 CO 0.08 0.30 -1.74 0.39 0.07 0.00 0.00 179.01 178.10 1m9d n GLU 29 N -4.88 0.63 -0.57 1.06 1.02 -0.62 -4.29 120.64 112.99 1m9d n GLU 29 Ca -0.04 0.28 0.06 0.00 -0.02 0.00 0.00 57.16 57.43 1m9d n GLU 29 Cb 0.10 -1.78 0.27 0.00 -0.02 0.00 0.00 31.44 30.01 1m9d n GLU 29 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1m9d n LYS 30 N -3.02 3.04 0.00 3.49 4.01 0.79 -5.01 118.16 121.46 1m9d n LYS 30 Ca -0.18 -2.93 0.00 0.00 -0.51 0.00 0.00 58.31 54.69 1m9d n LYS 30 Cb 1.05 -1.91 0.00 0.00 -0.51 0.00 0.00 35.03 33.66 1m9d n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1m9d n ALA 31 N -0.46 0.00 -1.22 7.82 0.00 0.01 -0.68 120.51 125.98 1m9d n ALA 31 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.78 1m9d n ALA 31 Cb 0.98 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.58 1m9d n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1m9d n PHE 32 N 0.00 0.00 -2.07 0.00 3.72 -1.26 -4.86 117.46 112.99 1m9d n PHE 32 Ca 0.00 -1.07 -0.36 0.00 -0.05 0.00 0.00 57.45 55.98 1m9d n PHE 32 Cb 0.00 -0.17 0.03 0.00 -0.94 0.00 0.00 39.48 38.40 1m9d n PHE 32 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1m9d s SER 33 N -2.88 5.31 0.47 4.37 0.15 0.14 -4.57 113.70 116.69 1m9d s SER 33 Ca 0.32 2.35 0.28 0.00 0.70 0.00 0.00 55.95 59.60 1m9d s SER 33 Cb 0.29 -2.60 1.34 0.00 -1.71 0.00 0.00 66.02 63.34 1m9d s SER 33 CO 0.01 -1.51 1.77 -0.65 1.20 0.00 0.00 173.24 174.06 1m9d h PRO 34 N 0.98 0.18 0.00 5.44 0.11 -1.91 -2.26 132.00 134.54 1m9d h PRO 34 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1m9d h PRO 34 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1m9d h PRO 34 CO 0.56 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 178.86 1m9d n GLU 35 N -4.43 0.01 -0.06 1.05 4.71 -1.26 -2.41 120.64 118.25 1m9d n GLU 35 Ca 0.27 0.32 -0.06 0.00 -0.01 0.00 0.00 57.16 57.67 1m9d n GLU 35 Cb 1.10 -1.53 0.13 0.00 -1.01 0.00 0.00 31.44 30.13 1m9d n GLU 35 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 1m9d h VAL 36 N 0.00 1.27 0.44 2.62 3.04 -1.69 -2.91 116.25 119.02 1m9d h VAL 36 Ca 0.00 -1.27 -0.02 0.00 -1.01 0.00 0.00 66.70 64.40 1m9d h VAL 36 Cb 0.20 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1m9d h VAL 36 CO 0.00 0.42 -0.21 0.40 -1.01 0.00 0.00 177.57 177.17 1m9d h ILE 37 N 0.62 0.57 -0.15 3.17 2.04 -1.68 -0.18 117.51 121.90 1m9d h ILE 37 Ca 0.09 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1m9d h ILE 37 Cb 0.67 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1m9d h ILE 37 CO 0.05 0.01 0.11 -0.65 0.00 0.00 0.00 178.15 177.67 1m9d h PRO 38 N -0.63 0.10 -0.48 2.37 0.10 -1.73 -2.32 132.00 129.40 1m9d h PRO 38 Ca -0.06 -0.01 -0.12 0.00 0.10 0.00 0.00 66.00 65.91 1m9d h PRO 38 Cb 0.48 -0.02 -0.01 0.00 0.10 0.00 0.00 31.00 31.54 1m9d h PRO 38 CO 0.10 0.07 -0.18 0.52 0.10 0.00 0.00 178.00 178.61 1m9d h MET 39 N 0.10 0.97 -0.04 1.05 2.86 -1.21 -1.52 114.93 117.14 1m9d h MET 39 Ca 0.07 -0.40 0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1m9d h MET 39 Cb 0.14 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1m9d h MET 39 CO -0.01 1.07 -0.04 0.35 1.06 0.00 0.00 176.91 179.34 1m9d h PHE 40 N 0.82 -0.09 -0.85 -0.22 3.57 -0.50 -0.24 116.94 119.43 1m9d h PHE 40 Ca 0.11 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1m9d h PHE 40 Cb 0.75 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 1m9d h PHE 40 CO 0.05 -0.06 0.56 1.03 -2.23 0.00 0.00 178.31 177.66 1m9d h SER 41 N -0.05 0.96 -0.41 0.41 0.87 -1.49 -1.77 113.55 112.07 1m9d h SER 41 Ca 0.03 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 1m9d h SER 41 Cb 0.09 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1m9d h SER 41 CO -0.07 0.69 -0.29 0.00 -0.53 0.00 0.00 176.83 176.63 1m9d h ALA 42 N 1.48 0.59 -0.00 6.23 0.00 -0.50 -3.13 119.26 123.92 1m9d h ALA 42 Ca 0.31 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1m9d h ALA 42 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1m9d h ALA 42 CO -0.07 0.63 -0.09 1.28 0.00 0.00 0.00 179.25 180.99 1m9d n LEU 43 N -4.12 0.29 -1.22 0.00 4.77 -0.17 -3.91 117.00 112.63 1m9d n LEU 43 Ca -0.01 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1m9d n LEU 43 Cb 0.49 -0.24 0.18 0.00 -2.33 0.00 0.00 43.42 41.52 1m9d n LEU 43 CO 0.47 0.06 0.64 -1.54 -1.33 0.00 0.00 177.39 175.69 1m9d n SER 44 N -1.13 2.73 -4.71 -1.43 3.41 -0.69 -5.04 113.62 106.76 1m9d n SER 44 Ca 0.13 -3.81 -0.42 0.00 -0.26 0.00 0.00 58.87 54.51 1m9d n SER 44 Cb 0.27 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 1m9d n SER 44 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1m9d s GLU 45 N -3.31 4.18 0.00 4.33 2.02 -1.25 -2.25 118.70 122.42 1m9d s GLU 45 Ca 0.45 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.90 1m9d s GLU 45 Cb 0.41 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1m9d s GLU 45 CO -0.01 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 174.98 1m9d n GLY 46 N 3.93 0.53 3.78 -1.39 0.00 -1.26 -4.88 105.19 105.90 1m9d n GLY 46 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1m9d n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9d s ALA 47 N -2.12 2.93 0.73 4.61 0.00 -0.96 -4.06 121.76 122.89 1m9d s ALA 47 Ca 0.00 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 1m9d s ALA 47 Cb 0.00 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.83 1m9d s ALA 47 CO 0.00 -0.49 1.10 0.95 0.00 0.00 0.00 175.76 177.32 1m9d s THR 48 N -1.71 2.95 0.24 0.00 -4.23 -1.26 -4.38 115.64 107.26 1m9d s THR 48 Ca 0.65 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 61.36 1m9d s THR 48 Cb -0.23 -3.30 0.21 0.00 1.34 0.00 0.00 72.50 70.52 1m9d s THR 48 CO 0.28 -0.38 1.75 -0.65 -0.54 0.00 0.00 174.62 175.08 1m9d h PRO 49 N -0.74 0.50 -0.46 3.99 0.11 -1.85 -0.71 132.00 132.84 1m9d h PRO 49 Ca -0.45 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.71 1m9d h PRO 49 Cb 1.28 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 1m9d h PRO 49 CO 0.64 0.33 -0.00 0.37 -0.21 0.00 0.00 178.00 179.13 1m9d h GLN 50 N 0.51 0.11 -0.94 1.05 4.15 -1.92 -0.40 115.11 117.67 1m9d h GLN 50 Ca 0.40 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.82 1m9d h GLN 50 Cb 0.55 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 1m9d h GLN 50 CO -0.36 0.07 0.60 -0.44 -1.93 0.00 0.00 178.83 176.78 1m9d h ASP 51 N 0.11 1.09 -0.04 -0.69 3.32 -1.72 -0.70 116.42 117.80 1m9d h ASP 51 Ca 0.23 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1m9d h ASP 51 Cb 0.33 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1m9d h ASP 51 CO -0.38 0.81 0.02 -0.07 -1.72 0.00 0.00 179.24 177.90 1m9d h LEU 52 N 1.28 0.04 -1.73 1.55 3.38 -0.37 -1.54 115.31 117.92 1m9d h LEU 52 Ca 0.34 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.35 1m9d h LEU 52 Cb -0.12 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1m9d h LEU 52 CO -0.07 0.10 0.38 0.78 0.09 0.00 0.00 178.44 179.72 1m9d h ASN 53 N -0.02 0.27 -0.43 -0.43 2.35 -0.79 0.02 115.58 116.54 1m9d h ASN 53 Ca 0.01 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1m9d h ASN 53 Cb 0.07 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1m9d h ASN 53 CO -0.00 0.16 -0.14 0.74 -1.65 0.00 0.00 177.43 176.54 1m9d h THR 54 N 0.30 1.27 -0.17 2.81 2.02 -0.66 0.46 112.91 118.93 1m9d h THR 54 Ca 0.26 -1.27 -0.15 0.00 0.77 0.00 0.00 66.41 66.03 1m9d h THR 54 Cb 0.63 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1m9d h THR 54 CO -0.06 0.44 -0.47 0.24 0.37 0.00 0.00 175.52 176.04 1m9d h MET 55 N 0.81 0.61 -0.50 6.66 2.86 -0.78 -2.68 114.93 121.90 1m9d h MET 55 Ca 0.12 -0.44 -0.10 0.00 -2.06 0.00 0.00 59.70 57.23 1m9d h MET 55 Cb 0.68 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 1m9d h MET 55 CO 0.05 1.06 -0.09 -0.07 1.06 0.00 0.00 176.91 178.92 1m9d h LEU 56 N 0.28 0.91 -0.59 1.22 3.38 -0.19 -2.57 115.31 117.75 1m9d h LEU 56 Ca -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1m9d h LEU 56 Cb 1.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1m9d h LEU 56 CO 0.10 1.02 0.00 0.59 0.09 0.00 0.00 178.44 180.24 1m9d n ASN 57 N -4.16 0.39 0.00 -0.43 5.03 0.15 -2.39 115.26 113.86 1m9d n ASN 57 Ca 0.02 0.62 0.10 0.00 0.87 0.00 0.00 54.58 56.19 1m9d n ASN 57 Cb 0.38 -0.70 0.47 0.00 -1.02 0.00 0.00 39.78 38.91 1m9d n ASN 57 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1m9d n THR 58 N -1.96 0.52 -2.17 3.41 -2.24 -0.97 -4.79 114.28 106.08 1m9d n THR 58 Ca 0.01 0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.50 1m9d n THR 58 Cb 0.14 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.56 1m9d n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1m9d s VAL 59 N -2.84 3.72 0.29 2.28 1.01 -1.00 -4.92 120.40 118.94 1m9d s VAL 59 Ca 0.13 1.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.83 1m9d s VAL 59 Cb 0.13 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 1m9d s VAL 59 CO 0.35 -0.04 1.33 -0.83 0.00 0.00 0.00 175.10 175.91 1m9d s GLY 60 N 2.38 2.77 0.00 4.51 0.00 -1.26 -4.89 107.32 110.84 1m9d s GLY 60 Ca 0.66 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.62 1m9d s GLY 60 CO 0.26 2.01 0.00 0.61 0.00 0.00 0.00 173.10 175.97 1m9d n GLY 61 N 1.36 1.92 4.24 0.20 0.00 -1.26 -4.88 105.19 106.76 1m9d n GLY 61 Ca 0.02 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 1m9d n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m9d n HIS 62 N 12.31 -1.34 0.01 1.61 8.25 -1.26 -4.83 115.22 129.96 1m9d n HIS 62 Ca 0.00 0.61 -0.10 0.00 -0.26 0.00 0.00 57.72 57.98 1m9d n HIS 62 Cb 0.00 -2.99 -0.03 0.00 1.12 0.00 0.00 29.99 28.09 1m9d n HIS 62 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1m9d h GLN 63 N -1.83 -0.24 -0.66 -0.41 4.20 -1.98 0.80 115.11 114.99 1m9d h GLN 63 Ca -0.66 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.00 1m9d h GLN 63 Cb 1.40 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.20 1m9d h GLN 63 CO 0.68 -0.16 0.13 0.00 -0.67 0.00 0.00 178.83 178.81 1m9d h ALA 64 N 0.75 0.98 -0.04 3.87 0.00 -2.00 -0.92 119.26 121.91 1m9d h ALA 64 Ca 0.09 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1m9d h ALA 64 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1m9d h ALA 64 CO -0.26 0.65 -0.80 0.00 0.00 0.00 0.00 179.25 178.84 1m9d h ALA 65 N 1.13 0.55 -0.44 0.00 0.00 -1.87 -1.94 119.26 116.69 1m9d h ALA 65 Ca 0.21 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1m9d h ALA 65 Cb 0.40 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1m9d h ALA 65 CO 0.01 0.81 0.03 1.98 0.00 0.00 0.00 179.25 182.07 1m9d h MET 66 N 0.22 0.69 0.00 0.00 -1.53 -0.56 -1.61 114.93 112.13 1m9d h MET 66 Ca -0.04 -0.16 -0.10 0.00 -3.44 0.00 0.00 59.70 55.96 1m9d h MET 66 Cb 1.40 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 32.34 1m9d h MET 66 CO 0.13 0.69 -0.48 1.96 0.14 0.00 0.00 176.91 179.35 1m9d h GLN 67 N 0.66 0.00 -0.15 0.39 4.20 -0.76 -1.35 115.11 118.10 1m9d h GLN 67 Ca 0.14 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 1m9d h GLN 67 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1m9d h GLN 67 CO 0.01 0.48 -0.29 1.98 -0.67 0.00 0.00 178.83 180.34 1m9d h MET 68 N 0.00 0.47 -0.44 1.46 4.05 -0.96 -0.77 114.93 118.74 1m9d h MET 68 Ca -0.00 -0.30 0.09 0.00 -0.28 0.00 0.00 59.70 59.21 1m9d h MET 68 Cb 0.85 0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 31.61 1m9d h MET 68 CO 0.06 0.90 -0.10 1.25 0.23 0.00 0.00 176.91 179.25 1m9d h LEU 69 N 0.09 -0.39 -1.81 3.39 5.85 -1.14 -2.12 115.31 119.17 1m9d h LEU 69 Ca 0.01 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1m9d h LEU 69 Cb 0.88 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1m9d h LEU 69 CO 0.07 -0.14 0.00 0.11 -0.34 0.00 0.00 178.44 178.14 1m9d h LYS 70 N 0.01 0.11 -0.25 1.25 1.57 -1.14 -2.03 116.57 116.10 1m9d h LYS 70 Ca 0.21 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 1m9d h LYS 70 Cb 0.33 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1m9d h LYS 70 CO -0.45 0.13 -0.14 1.49 -0.57 0.00 0.00 179.45 179.91 1m9d h GLU 71 N 0.11 0.53 -0.81 3.15 4.57 -0.84 0.13 114.58 121.42 1m9d h GLU 71 Ca 0.03 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 57.94 1m9d h GLU 71 Cb 0.08 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1m9d h GLU 71 CO 0.00 0.80 0.38 1.15 -1.18 0.00 0.00 179.01 180.16 1m9d h THR 72 N 0.25 1.25 -0.21 0.32 2.02 -0.80 -0.23 112.91 115.51 1m9d h THR 72 Ca 0.05 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1m9d h THR 72 Cb 0.65 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1m9d h THR 72 CO 0.04 0.31 0.09 0.40 0.37 0.00 0.00 175.52 176.72 1m9d h ILE 73 N 1.15 1.16 -0.22 3.11 2.04 -1.07 -2.24 117.51 121.44 1m9d h ILE 73 Ca 0.28 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 1m9d h ILE 73 Cb 0.12 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1m9d h ILE 73 CO -0.03 0.15 -0.20 0.78 0.00 0.00 0.00 178.15 178.85 1m9d h ASN 74 N 0.20 0.38 -0.93 1.72 2.35 -0.41 -0.48 115.58 118.41 1m9d h ASN 74 Ca 0.07 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1m9d h ASN 74 Cb 0.16 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1m9d h ASN 74 CO -0.01 0.60 0.61 -0.33 -1.65 0.00 0.00 177.43 176.65 1m9d h GLU 75 N 0.36 1.22 0.01 0.81 5.08 -0.69 -1.31 114.58 120.05 1m9d h GLU 75 Ca 0.06 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1m9d h GLU 75 Cb 0.55 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1m9d h GLU 75 CO 0.04 0.81 -0.94 0.93 -1.00 0.00 0.00 179.01 178.84 1m9d h GLU 76 N 1.26 0.03 -0.41 2.33 4.39 -0.80 -1.29 114.58 120.08 1m9d h GLU 76 Ca 0.34 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.87 1m9d h GLU 76 Cb -0.14 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1m9d h GLU 76 CO -0.07 0.95 -0.24 0.00 -1.16 0.00 0.00 179.01 178.49 1m9d h ALA 77 N 1.03 0.81 -0.44 3.43 0.00 -1.01 0.02 119.26 123.10 1m9d h ALA 77 Ca -0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1m9d h ALA 77 Cb 1.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1m9d h ALA 77 CO 0.13 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.84 1m9d h ALA 78 N 1.01 0.84 -0.55 0.00 0.00 -1.04 -2.20 119.26 117.31 1m9d h ALA 78 Ca 0.09 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1m9d h ALA 78 Cb 0.77 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1m9d h ALA 78 CO 0.06 0.64 0.08 1.49 0.00 0.00 0.00 179.25 181.52 1m9d h GLU 79 N 0.76 0.93 -0.70 0.00 4.57 -0.89 -1.90 114.58 117.35 1m9d h GLU 79 Ca 0.11 -0.26 0.10 0.00 -1.18 0.00 0.00 59.36 58.13 1m9d h GLU 79 Cb 0.71 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.12 1m9d h GLU 79 CO 0.05 0.90 0.34 2.35 -1.18 0.00 0.00 179.01 181.47 1m9d h TRP 80 N 0.82 0.60 -0.54 0.92 2.91 -0.80 -2.57 115.95 117.29 1m9d h TRP 80 Ca 0.17 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.13 1m9d h TRP 80 Cb 0.43 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.89 1m9d h TRP 80 CO 0.03 0.21 -0.00 -0.44 -1.03 0.00 0.00 178.44 177.21 1m9d h ASP 81 N 0.57 0.89 -0.45 2.65 3.32 -0.93 0.18 116.42 122.66 1m9d h ASP 81 Ca 0.35 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1m9d h ASP 81 Cb 0.38 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1m9d h ASP 81 CO -0.28 0.95 0.06 -0.09 -1.72 0.00 0.00 179.24 178.17 1m9d h ARG 82 N 0.85 0.82 0.00 3.56 2.43 -0.98 -2.49 114.38 118.57 1m9d h ARG 82 Ca 0.16 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1m9d h ARG 82 Cb 0.50 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1m9d h ARG 82 CO 0.02 0.78 -0.79 1.79 -1.51 0.00 0.00 179.97 180.27 1m9d h THR 83 N 0.77 0.40 -2.18 0.20 1.35 -1.27 -3.39 112.91 108.79 1m9d h THR 83 Ca 0.16 -1.64 -0.59 0.00 -0.55 0.00 0.00 66.41 63.79 1m9d h THR 83 Cb 0.38 2.02 -0.41 0.00 -1.73 0.00 0.00 68.15 68.40 1m9d h THR 83 CO 0.01 0.23 -0.71 1.41 -0.25 0.00 0.00 175.52 176.21 1m9d n HIS 84 N -2.98 2.70 -1.94 4.73 8.25 0.63 -5.09 115.22 121.52 1m9d n HIS 84 Ca -0.01 -4.02 -0.40 0.00 -0.26 0.00 0.00 57.72 53.02 1m9d n HIS 84 Cb 0.68 -0.51 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 1m9d n HIS 84 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1m9d s PRO 85 N -2.13 3.97 0.35 -0.41 0.04 -1.17 -4.71 135.00 130.94 1m9d s PRO 85 Ca 0.38 2.32 -0.28 0.00 0.04 0.00 0.00 61.00 63.46 1m9d s PRO 85 Cb 0.15 -2.82 -0.10 0.00 0.04 0.00 0.00 34.50 31.77 1m9d s PRO 85 CO -0.04 -0.55 1.32 -1.25 0.04 0.00 0.00 177.00 176.52 1m9d s PRO 86 N -2.21 4.27 0.29 0.56 0.04 -1.26 -4.99 135.00 131.70 1m9d s PRO 86 Ca 0.56 2.23 -0.29 0.00 0.04 0.00 0.00 61.00 63.54 1m9d s PRO 86 Cb -0.42 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.02 1m9d s PRO 86 CO 0.54 -0.26 1.04 0.00 0.04 0.00 0.00 177.00 178.37 1m9d s ALA 87 N -1.16 3.33 0.42 8.56 0.00 -1.26 -5.01 121.76 126.65 1m9d s ALA 87 Ca 0.51 0.78 -0.26 0.00 0.00 0.00 0.00 51.96 52.99 1m9d s ALA 87 Cb -0.40 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.36 1m9d s ALA 87 CO 0.53 -0.06 1.32 1.41 0.00 0.00 0.00 175.76 178.96 1m9d s MET 88 N -1.57 3.86 1.22 0.00 1.75 -1.26 -5.03 119.30 118.28 1m9d s MET 88 Ca 0.46 2.20 -0.20 0.00 -1.25 0.00 0.00 55.69 56.89 1m9d s MET 88 Cb -0.28 -2.70 0.30 0.00 2.84 0.00 0.00 34.83 34.99 1m9d s MET 88 CO 0.36 -0.60 1.13 0.20 -0.65 0.00 0.00 175.02 175.46 1m9d s GLY 89 N -0.73 1.60 0.57 2.11 0.00 -1.26 -4.84 107.32 104.77 1m9d s GLY 89 Ca 0.59 -1.07 -0.15 0.00 0.00 0.00 0.00 44.72 44.09 1m9d s GLY 89 CO 0.50 -0.14 1.02 2.56 0.00 0.00 0.00 173.10 177.03 1m9d s PRO 90 N -5.52 3.66 0.19 2.90 0.04 -1.26 -5.16 135.00 129.85 1m9d s PRO 90 Ca 0.72 0.98 -0.25 0.00 0.04 0.00 0.00 61.00 62.49 1m9d s PRO 90 Cb -0.08 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 1m9d s PRO 90 CO 0.56 -0.52 0.79 -0.51 0.04 0.00 0.00 177.00 177.36 1m9d s LEU 91 N -4.48 4.54 0.97 -3.56 1.43 -1.26 -5.05 118.68 111.27 1m9d s LEU 91 Ca 0.59 1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 55.22 1m9d s LEU 91 Cb -0.12 -3.42 0.17 0.00 0.03 0.00 0.00 46.19 42.86 1m9d s LEU 91 CO 0.38 0.16 1.10 -2.84 0.23 0.00 0.00 176.35 175.38 1m9d s PRO 92 N -1.35 0.63 0.37 1.29 0.02 -1.26 -4.95 135.00 129.76 1m9d s PRO 92 Ca 0.38 0.50 -0.27 0.00 0.02 0.00 0.00 61.00 61.64 1m9d s PRO 92 Cb -0.22 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 1m9d s PRO 92 CO 0.26 -2.59 1.25 -1.25 -0.33 0.00 0.00 177.00 174.33 1m9d s PRO 93 N -5.02 4.16 0.00 5.54 0.04 -1.26 -2.61 135.00 135.85 1m9d s PRO 93 Ca 0.65 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1m9d s PRO 93 Cb -0.18 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1m9d s PRO 93 CO 0.57 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.72 1m9d n GLY 94 N 0.74 0.96 3.60 0.56 0.00 -1.26 -5.01 105.19 104.79 1m9d n GLY 94 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1m9d n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m9d s GLN 95 N -0.03 2.14 0.52 1.61 -1.52 -1.07 -5.12 119.66 116.18 1m9d s GLN 95 Ca 0.00 -1.45 0.07 0.00 -1.95 0.00 0.00 55.36 52.02 1m9d s GLN 95 Cb 0.00 -2.09 0.03 0.00 -0.22 0.00 0.00 33.01 30.73 1m9d s GLN 95 CO 0.00 0.37 0.46 0.96 -0.25 0.00 0.00 175.29 176.83 1m9d s ILE 96 N -2.24 1.97 0.73 1.08 -4.36 -1.26 -4.83 121.20 112.28 1m9d s ILE 96 Ca 0.30 -1.38 -0.14 0.00 -0.26 0.00 0.00 60.65 59.17 1m9d s ILE 96 Cb -0.07 -2.35 0.04 0.00 1.25 0.00 0.00 42.46 41.34 1m9d s ILE 96 CO 0.18 0.00 1.16 0.00 0.24 0.00 0.00 174.94 176.52 1m9d s ARG 97 N -4.31 2.23 0.34 0.37 1.70 -1.26 -4.97 118.95 113.06 1m9d s ARG 97 Ca 0.42 1.57 -0.28 0.00 -0.47 0.00 0.00 55.73 56.98 1m9d s ARG 97 Cb -0.03 -1.86 -0.09 0.00 -0.57 0.00 0.00 34.95 32.39 1m9d s ARG 97 CO 0.26 -1.72 1.17 -1.21 -1.08 0.00 0.00 175.30 172.71 1m9d s GLU 98 N -4.13 4.35 0.24 3.89 0.41 -1.26 -4.94 118.70 117.27 1m9d s GLU 98 Ca 0.70 1.89 -0.30 0.00 -0.41 0.00 0.00 54.97 56.85 1m9d s GLU 98 Cb -0.25 -2.95 -0.10 0.00 -1.78 0.00 0.00 34.13 29.05 1m9d s GLU 98 CO 0.46 -0.07 1.41 -1.25 -0.49 0.00 0.00 175.26 175.32 1m9d s PRO 99 N -1.87 4.29 0.72 0.39 0.04 -1.26 -5.04 135.00 132.28 1m9d s PRO 99 Ca 0.50 2.25 -0.08 0.00 0.04 0.00 0.00 61.00 63.72 1m9d s PRO 99 Cb -0.33 -3.13 0.06 0.00 0.04 0.00 0.00 34.50 31.15 1m9d s PRO 99 CO 0.42 -0.39 1.04 1.03 0.04 0.00 0.00 177.00 179.15 1m9d s ARG 100 N -0.29 2.18 0.32 4.56 1.81 -1.26 -4.89 118.95 121.38 1m9d s ARG 100 Ca 0.59 -0.17 -0.00 0.00 -1.72 0.00 0.00 55.73 54.43 1m9d s ARG 100 Cb -0.41 -2.13 0.51 0.00 -0.45 0.00 0.00 34.95 32.48 1m9d s ARG 100 CO 0.42 -1.29 1.98 0.78 -0.68 0.00 0.00 175.30 176.50 1m9d h GLY 101 N -0.68 1.09 1.37 -3.53 0.00 -1.91 -0.16 103.07 99.25 1m9d h GLY 101 Ca -0.45 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.38 1m9d h GLY 101 CO 0.61 0.38 -0.18 1.48 0.00 0.00 0.00 176.54 178.84 1m9d h SER 102 N 1.03 0.73 -0.53 0.19 4.64 -1.94 -1.80 113.55 115.87 1m9d h SER 102 Ca 0.29 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 1m9d h SER 102 Cb -0.09 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 1m9d h SER 102 CO -0.07 0.91 0.06 0.44 -0.87 0.00 0.00 176.83 177.30 1m9d h ASP 103 N 0.65 0.90 -0.79 4.97 3.32 -1.40 -1.78 116.42 122.30 1m9d h ASP 103 Ca 0.10 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1m9d h ASP 103 Cb 0.66 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1m9d h ASP 103 CO 0.05 0.93 0.36 0.40 -1.72 0.00 0.00 179.24 179.26 1m9d h ILE 104 N 0.88 1.25 0.00 0.35 2.04 -0.91 -2.67 117.51 118.46 1m9d h ILE 104 Ca 0.17 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1m9d h ILE 104 Cb 0.44 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1m9d h ILE 104 CO 0.02 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.47 1m9d n ALA 105 N -2.41 2.09 -0.57 1.87 0.00 -0.71 -4.73 120.51 116.05 1m9d n ALA 105 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1m9d n ALA 105 Cb 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1m9d n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9d n GLY 106 N 0.47 1.03 0.14 0.00 0.00 -1.01 -4.90 105.19 100.92 1m9d n GLY 106 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1m9d n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m9d h THR 107 N 0.00 1.42 -0.36 2.61 2.02 -1.57 -3.31 112.91 113.72 1m9d h THR 107 Ca 0.00 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 65.34 1m9d h THR 107 Cb 0.00 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1m9d h THR 107 CO 0.00 0.53 0.00 0.35 0.37 0.00 0.00 175.52 176.77 1m9d n THR 108 N -4.34 0.74 -4.76 3.16 -2.24 -1.07 -5.00 114.28 100.76 1m9d n THR 108 Ca -0.09 -0.87 -0.30 0.00 -2.27 0.00 0.00 64.05 60.53 1m9d n THR 108 Cb 0.56 0.72 -0.14 0.00 -2.10 0.00 0.00 70.33 69.36 1m9d n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1m9d s SER 109 N -1.08 3.24 0.60 3.42 1.04 -1.25 -4.85 113.70 114.83 1m9d s SER 109 Ca 0.28 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 56.03 1m9d s SER 109 Cb 0.16 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.01 1m9d s SER 109 CO 0.21 0.24 0.91 0.42 0.98 0.00 0.00 173.24 176.00 1m9d s THR 110 N -0.88 3.52 0.18 2.02 -4.23 -1.26 -4.83 115.64 110.16 1m9d s THR 110 Ca 0.12 -0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.48 1m9d s THR 110 Cb -0.10 -3.41 0.07 0.00 1.34 0.00 0.00 72.50 70.40 1m9d s THR 110 CO 0.03 -0.42 1.84 0.25 -0.54 0.00 0.00 174.62 175.78 1m9d h LEU 111 N -0.22 0.60 -0.93 4.79 5.85 -1.99 -0.25 115.31 123.17 1m9d h LEU 111 Ca -0.45 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.34 1m9d h LEU 111 Cb 1.26 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 1m9d h LEU 111 CO 0.61 0.44 0.58 1.56 -0.34 0.00 0.00 178.44 181.28 1m9d h GLN 112 N 0.72 0.97 -0.14 1.25 7.50 -1.99 -0.46 115.11 122.96 1m9d h GLN 112 Ca 0.20 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.28 1m9d h GLN 112 Cb -0.07 -0.22 -0.01 0.00 0.05 0.00 0.00 27.48 27.24 1m9d h GLN 112 CO -0.05 0.64 0.06 0.93 -1.50 0.00 0.00 178.83 178.91 1m9d h GLU 113 N 1.00 0.21 -0.86 1.46 5.08 -1.86 0.22 114.58 119.83 1m9d h GLU 113 Ca 0.43 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.82 1m9d h GLU 113 Cb 0.30 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1m9d h GLU 113 CO -0.21 0.29 0.53 1.96 -1.00 0.00 0.00 179.01 180.58 1m9d h GLN 114 N 0.08 0.93 -0.56 2.33 4.20 -0.24 0.11 115.11 121.95 1m9d h GLN 114 Ca 0.05 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1m9d h GLN 114 Cb 0.16 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1m9d h GLN 114 CO -0.00 0.62 0.09 0.82 -0.67 0.00 0.00 178.83 179.69 1m9d h ILE 115 N 0.96 1.24 0.11 2.54 2.04 -0.94 -0.25 117.51 123.20 1m9d h ILE 115 Ca 0.38 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1m9d h ILE 115 Cb 0.19 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1m9d h ILE 115 CO -0.18 0.34 -0.05 1.23 0.00 0.00 0.00 178.15 179.49 1m9d h GLY 116 N 1.00 -0.15 0.74 5.37 0.00 -0.22 -0.46 103.07 109.35 1m9d h GLY 116 Ca 0.18 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.60 1m9d h GLY 116 CO 0.01 -0.06 0.18 1.49 0.00 0.00 0.00 176.54 178.16 1m9d h TRP 117 N -0.26 0.32 0.00 5.60 6.55 -0.72 -1.87 115.95 125.57 1m9d h TRP 117 Ca -0.02 0.02 -0.06 0.00 0.95 0.00 0.00 58.89 59.79 1m9d h TRP 117 Cb 0.21 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 1m9d h TRP 117 CO -0.04 0.15 -0.27 0.52 -1.05 0.00 0.00 178.44 177.76 1m9d h MET 118 N 0.36 0.00 -0.03 0.49 2.86 -0.48 -1.33 114.93 116.80 1m9d h MET 118 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1m9d h MET 118 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1m9d h MET 118 CO -0.14 0.27 0.00 0.25 1.06 0.00 0.00 176.91 178.34 1m9d n THR 119 N -3.83 0.04 -1.04 2.22 -2.24 -0.23 -4.63 114.28 104.56 1m9d n THR 119 Ca -0.02 -0.52 -0.33 0.00 -2.27 0.00 0.00 64.05 60.92 1m9d n THR 119 Cb 0.36 1.26 0.13 0.00 -2.10 0.00 0.00 70.33 69.98 1m9d n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1m9d s HIS 120 N -1.16 1.82 -0.27 4.78 5.04 -0.71 -4.96 115.29 119.84 1m9d s HIS 120 Ca 0.17 1.70 0.03 0.00 -1.54 0.00 0.00 55.06 55.41 1m9d s HIS 120 Cb 0.12 -3.41 0.06 0.00 0.04 0.00 0.00 32.58 29.39 1m9d s HIS 120 CO 0.18 -2.74 -0.09 1.21 -2.34 0.00 0.00 174.74 170.96 1m9d s ASN 121 N -2.38 4.50 0.58 9.88 3.04 -1.26 -1.79 114.94 127.50 1m9d s ASN 121 Ca 0.70 -1.47 -0.14 0.00 0.04 0.00 0.00 52.86 51.99 1m9d s ASN 121 Cb -0.26 -1.56 -0.05 0.00 -1.54 0.00 0.00 41.25 37.83 1m9d s ASN 121 CO 0.52 -0.21 1.02 -2.16 -3.04 0.00 0.00 177.10 173.23 1m9d s PRO 122 N 1.09 3.64 0.48 0.43 0.04 -1.26 -5.12 135.00 134.30 1m9d s PRO 122 Ca -0.07 0.94 -0.19 0.00 0.04 0.00 0.00 61.00 61.72 1m9d s PRO 122 Cb -0.20 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 1m9d s PRO 122 CO -0.05 -0.53 0.98 -2.14 0.04 0.00 0.00 177.00 175.30 1m9d s PRO 123 N -4.48 4.01 -0.30 0.56 0.02 -0.74 -5.03 135.00 129.04 1m9d s PRO 123 Ca 0.58 1.08 0.02 0.00 0.02 0.00 0.00 61.00 62.70 1m9d s PRO 123 Cb -0.12 -2.14 0.09 0.00 0.02 0.00 0.00 34.50 32.35 1m9d s PRO 123 CO 0.41 -0.22 0.04 0.42 -0.33 0.00 0.00 177.00 177.32 1m9d s ILE 124 N -2.37 1.67 -1.26 2.83 -1.09 -0.52 -5.02 121.20 115.44 1m9d s ILE 124 Ca 0.61 -1.77 -0.08 0.00 -2.23 0.00 0.00 60.65 57.18 1m9d s ILE 124 Cb -0.10 -2.15 0.18 0.00 -1.58 0.00 0.00 42.46 38.80 1m9d s ILE 124 CO 0.23 -0.49 1.87 -0.81 -1.23 0.00 0.00 174.94 174.51 1m9d n PRO 125 N 4.54 3.82 -0.22 2.79 -0.04 -1.26 -3.37 135.00 141.25 1m9d n PRO 125 Ca -0.02 -3.65 0.17 0.00 -0.04 0.00 0.00 63.50 59.95 1m9d n PRO 125 Cb 0.42 -2.85 0.49 0.00 -0.04 0.00 0.00 33.50 31.53 1m9d n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1m9d h VAL 126 N 3.60 0.74 -0.06 0.52 -1.51 -1.89 -0.68 116.25 116.96 1m9d h VAL 126 Ca 0.40 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 65.71 1m9d h VAL 126 Cb 0.60 0.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.00 1m9d h VAL 126 CO 1.58 0.08 0.04 1.23 -1.23 0.00 0.00 177.57 179.27 1m9d h GLY 127 N 0.45 0.09 1.46 5.19 0.00 -1.86 -1.74 103.07 106.66 1m9d h GLY 127 Ca 0.43 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.63 1m9d h GLY 127 CO -0.16 0.04 -0.18 0.83 0.00 0.00 0.00 176.54 177.06 1m9d h GLU 128 N 0.03 0.63 -0.19 4.80 4.39 -1.60 -0.45 114.58 122.19 1m9d h GLU 128 Ca 0.02 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 1m9d h GLU 128 Cb 0.05 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1m9d h GLU 128 CO -0.00 0.78 0.01 0.82 -1.16 0.00 0.00 179.01 179.46 1m9d h ILE 129 N 0.56 1.24 -0.52 3.13 2.04 -1.08 -2.29 117.51 120.60 1m9d h ILE 129 Ca 0.09 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 1m9d h ILE 129 Cb 0.63 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1m9d h ILE 129 CO 0.04 0.25 0.22 0.22 0.00 0.00 0.00 178.15 178.88 1m9d h TYR 130 N 0.09 0.78 -0.60 1.37 3.20 -1.22 -2.45 116.97 118.16 1m9d h TYR 130 Ca 0.06 -0.05 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1m9d h TYR 130 Cb 0.36 -0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.31 1m9d h TYR 130 CO 0.03 0.64 0.15 -0.22 -1.64 0.00 0.00 178.16 177.12 1m9d h LYS 131 N 0.70 0.29 -0.67 1.82 3.64 -0.99 -0.32 116.57 121.04 1m9d h LYS 131 Ca 0.17 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1m9d h LYS 131 Cb 0.18 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1m9d h LYS 131 CO -0.02 0.19 0.33 0.00 -2.27 0.00 0.00 179.45 177.69 1m9d h ARG 132 N 0.30 0.57 -0.85 1.90 3.08 -1.00 0.22 114.38 118.61 1m9d h ARG 132 Ca 0.31 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 1m9d h ARG 132 Cb 0.44 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1m9d h ARG 132 CO -0.37 0.38 0.51 -1.49 -1.07 0.00 0.00 179.97 177.92 1m9d h TRP 133 N 0.59 1.11 -0.13 3.04 6.55 -0.77 -2.01 115.95 124.32 1m9d h TRP 133 Ca 0.32 -0.00 -0.11 0.00 0.95 0.00 0.00 58.89 60.04 1m9d h TRP 133 Cb 0.30 -0.37 -0.01 0.00 -0.86 0.00 0.00 29.16 28.22 1m9d h TRP 133 CO -0.11 0.74 -0.42 0.82 -1.05 0.00 0.00 178.44 178.42 1m9d h ILE 134 N 1.16 1.31 -0.08 1.49 2.04 -0.48 -1.22 117.51 121.74 1m9d h ILE 134 Ca 0.30 -1.56 -0.18 0.00 1.00 0.00 0.00 64.86 64.43 1m9d h ILE 134 Cb -0.05 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1m9d h ILE 134 CO -0.06 0.47 -0.70 0.40 0.00 0.00 0.00 178.15 178.27 1m9d h ILE 135 N 0.24 1.38 -0.52 -0.67 1.08 -0.65 -0.50 117.51 117.88 1m9d h ILE 135 Ca 0.02 -2.10 -0.08 0.00 -0.39 0.00 0.00 64.86 62.31 1m9d h ILE 135 Cb 0.85 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 36.65 1m9d h ILE 135 CO 0.07 0.63 0.00 -0.07 -0.69 0.00 0.00 178.15 178.09 1m9d h LEU 136 N 0.26 0.84 -0.57 1.44 3.38 -1.07 -0.06 115.31 119.54 1m9d h LEU 136 Ca -0.02 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 1m9d h LEU 136 Cb 1.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1m9d h LEU 136 CO 0.12 0.91 -0.20 1.23 0.09 0.00 0.00 178.44 180.59 1m9d h GLY 137 N 0.99 1.02 1.00 0.83 0.00 -0.19 -2.51 103.07 104.21 1m9d h GLY 137 Ca 0.15 -0.87 0.06 0.00 0.00 0.00 0.00 47.33 46.67 1m9d h GLY 137 CO 0.02 0.80 0.51 1.41 0.00 0.00 0.00 176.54 179.28 1m9d h LEU 138 N 0.82 0.76 -0.43 3.11 3.38 -0.85 -1.27 115.31 120.82 1m9d h LEU 138 Ca 0.11 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1m9d h LEU 138 Cb 0.75 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1m9d h LEU 138 CO 0.06 0.50 0.24 0.78 0.09 0.00 0.00 178.44 180.11 1m9d h ASN 139 N 0.87 0.36 -0.49 -0.43 2.35 -0.71 -0.78 115.58 116.76 1m9d h ASN 139 Ca 0.33 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 56.00 1m9d h ASN 139 Cb 0.20 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1m9d h ASN 139 CO -0.11 0.26 -0.09 0.50 -1.65 0.00 0.00 177.43 176.34 1m9d h LYS 140 N 0.47 0.92 -0.08 0.81 3.64 -0.84 -2.79 116.57 118.71 1m9d h LYS 140 Ca 0.18 -0.34 -0.15 0.00 -1.27 0.00 0.00 60.65 59.07 1m9d h LYS 140 Cb 0.05 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1m9d h LYS 140 CO -0.11 0.99 -0.61 -0.84 -2.27 0.00 0.00 179.45 176.62 1m9d h ILE 141 N 0.78 1.38 -0.96 2.00 3.07 -1.04 -2.25 117.51 120.49 1m9d h ILE 141 Ca 0.13 -1.98 0.02 0.00 1.55 0.00 0.00 64.86 64.58 1m9d h ILE 141 Cb 0.63 2.00 -0.05 0.00 -0.27 0.00 0.00 36.82 39.13 1m9d h ILE 141 CO 0.04 0.59 0.63 0.58 -1.05 0.00 0.00 178.15 178.94 1m9d h VAL 142 N 0.20 1.21 -0.38 0.16 2.07 -1.02 -1.75 116.25 116.74 1m9d h VAL 142 Ca -0.01 -0.43 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 1m9d h VAL 142 Cb 1.12 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1m9d h VAL 142 CO 0.10 0.23 -0.20 -0.09 0.02 0.00 0.00 177.57 177.63 1m9d h ARG 143 N 1.26 0.81 0.00 1.57 2.43 -1.28 -3.33 114.38 115.84 1m9d h ARG 143 Ca 0.36 -0.36 -0.21 0.00 -0.81 0.00 0.00 59.98 58.97 1m9d h ARG 143 Cb -0.08 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1m9d h ARG 143 CO -0.10 0.99 -0.99 0.52 -1.51 0.00 0.00 179.97 178.88 1m9d h MET 144 N 0.60 0.00 -6.56 0.20 2.86 -1.02 -3.46 114.93 107.56 1m9d h MET 144 Ca 0.08 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 57.05 1m9d h MET 144 Cb 0.75 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.22 1m9d h MET 144 CO 0.06 0.95 -0.77 0.71 1.06 0.00 0.00 176.91 178.92 1m9d s TYR 145 N -2.72 2.65 0.00 -0.22 1.51 -0.69 -5.10 117.35 112.78 1m9d s TYR 145 Ca 0.01 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1m9d s TYR 145 Cb 0.10 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.50 1m9d s TYR 145 CO 0.82 0.34 0.00 0.45 -1.11 0.00 0.00 175.55 176.05