#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2d s ILE 2 N 0.00 5.04 0.15 0.52 -1.09 -0.85 -0.84 121.20 124.13 2x2d s ILE 2 Ca 0.00 0.04 -0.07 0.00 -2.23 0.00 0.00 60.65 58.39 2x2d s ILE 2 Cb 0.00 -3.23 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 2x2d s ILE 2 CO 0.00 0.53 0.22 0.68 -1.23 0.00 0.00 174.94 175.14 2x2d s VAL 3 N -0.30 0.08 0.01 2.92 -7.23 -0.19 -4.88 120.40 110.81 2x2d s VAL 3 Ca 0.09 -1.50 -0.13 0.00 -1.81 0.00 0.00 61.98 58.63 2x2d s VAL 3 Cb -0.12 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 2x2d s VAL 3 CO 0.01 -0.37 0.39 -1.58 -0.31 0.00 0.00 175.10 173.24 2x2d s GLN 4 N -3.98 3.84 0.52 4.82 0.74 -1.26 0.92 119.66 125.26 2x2d s GLN 4 Ca 0.18 0.31 0.09 0.00 0.05 0.00 0.00 55.36 55.99 2x2d s GLN 4 Cb 0.04 -3.16 0.06 0.00 1.10 0.00 0.00 33.01 31.05 2x2d s GLN 4 CO -0.00 0.67 0.71 0.54 -0.55 0.00 0.00 175.29 176.66 2x2d s ASN 5 N -1.25 5.30 0.59 6.67 2.20 -0.56 -4.93 114.94 122.96 2x2d s ASN 5 Ca 0.25 -0.68 0.29 0.00 -0.94 0.00 0.00 52.86 51.78 2x2d s ASN 5 Cb -0.16 -0.06 1.60 0.00 -2.00 0.00 0.00 41.25 40.64 2x2d s ASN 5 CO 0.14 -1.14 2.04 -0.07 -2.94 0.00 0.00 177.10 175.13 2x2d h LEU 6 N 0.34 0.00 -0.90 3.54 3.38 -1.99 -2.08 115.31 117.59 2x2d h LEU 6 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2x2d h LEU 6 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2x2d h LEU 6 CO 0.42 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 178.84 2x2d n GLN 7 N -3.77 1.43 0.00 1.13 3.00 -1.26 -4.98 117.38 112.93 2x2d n GLN 7 Ca 0.03 -0.90 0.00 0.00 -0.01 0.00 0.00 57.00 56.12 2x2d n GLN 7 Cb 0.42 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.18 2x2d n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2x2d n GLY 8 N 1.26 3.09 3.87 1.08 0.00 -0.78 -5.12 105.19 108.59 2x2d n GLY 8 Ca 0.16 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 2x2d n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2x2d s GLN 9 N 0.00 2.33 0.03 1.61 0.00 -1.26 -4.65 119.66 117.72 2x2d s GLN 9 Ca 0.00 0.38 -0.20 0.00 -0.00 0.00 0.00 55.36 55.54 2x2d s GLN 9 Cb 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 33.01 30.98 2x2d s GLN 9 CO 0.00 -1.39 0.59 -1.64 0.00 0.00 0.00 175.29 172.84 2x2d s MET 10 N -5.38 4.28 0.03 9.60 -1.94 -1.26 -1.49 119.30 123.14 2x2d s MET 10 Ca 0.60 0.74 -0.02 0.00 -1.71 0.00 0.00 55.69 55.31 2x2d s MET 10 Cb -0.12 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.40 2x2d s MET 10 CO 0.52 0.48 0.00 0.14 -0.01 0.00 0.00 175.02 176.15 2x2d s VAL 11 N -0.57 0.14 0.25 -6.03 -7.23 0.26 -4.91 120.40 102.31 2x2d s VAL 11 Ca 0.30 -1.14 -0.30 0.00 -1.81 0.00 0.00 61.98 59.04 2x2d s VAL 11 Cb -0.19 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 35.99 2x2d s VAL 11 CO 0.18 -0.63 1.18 -2.28 -0.31 0.00 0.00 175.10 173.24 2x2d s HIS 12 N -2.21 3.42 0.08 2.82 2.46 -1.26 -1.02 115.29 119.58 2x2d s HIS 12 Ca -0.09 1.53 0.08 0.00 0.47 0.00 0.00 55.06 57.05 2x2d s HIS 12 Cb -0.04 -3.42 -0.03 0.00 -0.13 0.00 0.00 32.58 28.96 2x2d s HIS 12 CO -0.03 -1.07 -0.21 -1.14 -2.47 0.00 0.00 174.74 169.82 2x2d s GLN 13 N -1.03 1.20 0.54 2.88 0.74 -0.02 -4.92 119.66 119.05 2x2d s GLN 13 Ca 0.49 -1.07 -0.19 0.00 0.05 0.00 0.00 55.36 54.64 2x2d s GLN 13 Cb -0.34 -1.41 -0.06 0.00 1.10 0.00 0.00 33.01 32.31 2x2d s GLN 13 CO 0.41 0.34 1.07 0.00 -0.55 0.00 0.00 175.29 176.57 2x2d s ALA 14 N -1.03 2.76 0.41 1.58 0.00 -1.26 -1.26 121.76 122.96 2x2d s ALA 14 Ca 0.06 0.62 -0.26 0.00 0.00 0.00 0.00 51.96 52.39 2x2d s ALA 14 Cb -0.10 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 2x2d s ALA 14 CO 0.03 -0.63 1.31 1.51 0.00 0.00 0.00 175.76 177.98 2x2d n ILE 15 N -1.41 2.47 -2.57 0.00 3.06 -1.26 -4.58 119.36 115.07 2x2d n ILE 15 Ca 0.10 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.43 2x2d n ILE 15 Cb 0.52 -1.63 -0.03 0.00 0.54 0.00 0.00 39.64 39.04 2x2d n ILE 15 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2x2d s SER 16 N -0.47 7.25 0.60 9.51 0.15 -1.26 -4.91 113.70 124.56 2x2d s SER 16 Ca 0.60 1.86 0.30 0.00 0.70 0.00 0.00 55.95 59.40 2x2d s SER 16 Cb -0.51 -2.58 1.71 0.00 -1.71 0.00 0.00 66.02 62.93 2x2d s SER 16 CO 0.59 -0.33 2.12 1.55 1.20 0.00 0.00 173.24 178.36 2x2d h PRO 17 N 6.56 0.00 -0.06 5.44 0.13 -2.00 -2.41 132.00 139.67 2x2d h PRO 17 Ca -0.42 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.51 2x2d h PRO 17 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2x2d h PRO 17 CO 0.77 0.00 -0.80 0.00 -0.23 0.00 0.00 178.00 177.74 2x2d h ARG 18 N 0.00 0.43 0.14 0.86 3.08 -1.99 -0.76 114.38 116.15 2x2d h ARG 18 Ca 0.07 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 2x2d h ARG 18 Cb 0.44 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 2x2d h ARG 18 CO -0.00 1.03 -0.10 1.15 -1.07 0.00 0.00 179.97 180.98 2x2d h THR 19 N 0.28 0.78 -0.37 2.04 2.02 -1.88 -1.06 112.91 114.73 2x2d h THR 19 Ca -0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.18 2x2d h THR 19 Cb 1.40 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.55 2x2d h THR 19 CO 0.14 0.00 0.09 -0.07 0.37 0.00 0.00 175.52 176.05 2x2d h LEU 20 N -0.25 0.06 -0.77 2.58 3.38 -1.32 -0.27 115.31 118.72 2x2d h LEU 20 Ca -0.01 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2x2d h LEU 20 Cb 0.21 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2x2d h LEU 20 CO 0.00 0.07 0.24 0.78 0.09 0.00 0.00 178.44 179.62 2x2d h ASN 21 N 0.23 1.08 -0.27 -0.43 2.35 -1.05 -0.95 115.58 116.54 2x2d h ASN 21 Ca 0.17 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2x2d h ASN 21 Cb 0.18 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2x2d h ASN 21 CO -0.21 1.00 0.11 0.00 -1.65 0.00 0.00 177.43 176.68 2x2d h ALA 22 N 1.14 0.32 0.13 -0.83 0.00 -0.56 -0.27 119.26 119.20 2x2d h ALA 22 Ca 0.24 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2x2d h ALA 22 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2x2d h ALA 22 CO -0.01 -0.29 -0.14 2.35 0.00 0.00 0.00 179.25 181.16 2x2d h TRP 23 N 0.25 -0.37 -0.80 0.00 2.91 -0.70 0.32 115.95 117.55 2x2d h TRP 23 Ca 0.12 0.00 0.19 0.00 1.13 0.00 0.00 58.89 60.33 2x2d h TRP 23 Cb 0.07 0.15 -0.12 0.00 -0.51 0.00 0.00 29.16 28.74 2x2d h TRP 23 CO -0.11 -0.22 0.22 0.28 -1.03 0.00 0.00 178.44 177.57 2x2d h VAL 24 N -0.31 0.45 -0.16 2.65 2.07 -1.01 -1.74 116.25 118.21 2x2d h VAL 24 Ca 0.01 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 67.26 2x2d h VAL 24 Cb 0.30 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2x2d h VAL 24 CO -0.05 0.05 -0.62 0.11 0.02 0.00 0.00 177.57 177.08 2x2d h LYS 25 N 0.27 0.55 -0.38 1.57 1.79 -0.18 -2.49 116.57 117.70 2x2d h LYS 25 Ca 0.47 -0.38 0.02 0.00 -2.18 0.00 0.00 60.65 58.58 2x2d h LYS 25 Cb 0.86 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.55 2x2d h LYS 25 CO -0.56 1.00 0.22 0.28 -1.08 0.00 0.00 179.45 179.32 2x2d h VAL 26 N 0.41 1.04 -0.74 0.50 2.07 -0.40 -2.63 116.25 116.49 2x2d h VAL 26 Ca -0.01 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2x2d h VAL 26 Cb 1.19 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2x2d h VAL 26 CO 0.12 0.08 0.32 0.58 0.02 0.00 0.00 177.57 178.69 2x2d h VAL 27 N 0.46 1.24 -0.30 2.57 2.07 -1.28 0.14 116.25 121.16 2x2d h VAL 27 Ca 0.15 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2x2d h VAL 27 Cb 0.01 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2x2d h VAL 27 CO -0.07 0.31 0.06 -0.33 0.02 0.00 0.00 177.57 177.56 2x2d h GLU 28 N 1.07 0.48 -0.07 1.57 5.08 -1.28 0.25 114.58 121.67 2x2d h GLU 28 Ca 0.25 -0.12 -0.22 0.00 -1.00 0.00 0.00 59.36 58.27 2x2d h GLU 28 Cb 0.17 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.37 2x2d h GLU 28 CO -0.03 0.57 -0.81 1.49 -1.00 0.00 0.00 179.01 179.23 2x2d h GLU 29 N 0.31 0.68 0.00 2.33 4.57 -1.38 -3.39 114.58 117.70 2x2d h GLU 29 Ca 0.09 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 2x2d h GLU 29 Cb 0.31 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2x2d h GLU 29 CO 0.00 1.24 -0.80 1.63 -1.18 0.00 0.00 179.01 179.90 2x2d n LYS 30 N -3.99 1.98 0.00 1.92 4.76 0.49 -5.08 118.16 118.24 2x2d n LYS 30 Ca -0.09 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 2x2d n LYS 30 Cb 0.77 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 2x2d n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x2d n ALA 31 N -1.42 0.00 -2.05 7.82 0.00 0.85 -2.44 120.51 123.28 2x2d n ALA 31 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 2x2d n ALA 31 Cb 0.25 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.72 2x2d n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2x2d n PHE 32 N 13.89 3.13 -1.22 0.00 3.72 -1.26 -4.57 117.46 131.15 2x2d n PHE 32 Ca 0.00 -2.70 -0.32 0.00 -0.05 0.00 0.00 57.45 54.38 2x2d n PHE 32 Cb 0.00 -0.67 0.10 0.00 -0.94 0.00 0.00 39.48 37.97 2x2d n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2x2d s SER 33 N -2.57 4.13 0.36 4.37 1.04 -1.02 -4.21 113.70 115.80 2x2d s SER 33 Ca 0.52 2.04 0.17 0.00 0.48 0.00 0.00 55.95 59.17 2x2d s SER 33 Cb 0.43 -2.55 1.15 0.00 0.10 0.00 0.00 66.02 65.16 2x2d s SER 33 CO -0.18 -2.29 1.66 -0.65 0.98 0.00 0.00 173.24 172.75 2x2d h PRO 34 N -1.00 0.26 0.00 4.02 0.11 -1.86 -2.12 132.00 131.42 2x2d h PRO 34 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2x2d h PRO 34 Cb 1.25 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2x2d h PRO 34 CO 0.49 0.17 -0.01 0.93 -0.21 0.00 0.00 178.00 179.37 2x2d h GLU 35 N 0.27 0.00 0.00 1.05 3.07 -1.96 -1.60 114.58 115.40 2x2d h GLU 35 Ca 0.75 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.56 2x2d h GLU 35 Cb 1.82 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.73 2x2d h GLU 35 CO -0.58 0.01 -0.22 -0.24 -1.40 0.00 0.00 179.01 176.58 2x2d h VAL 36 N 0.00 0.67 -0.06 3.13 3.04 -1.73 -3.06 116.25 118.24 2x2d h VAL 36 Ca -0.00 -0.95 -0.01 0.00 -1.01 0.00 0.00 66.70 64.73 2x2d h VAL 36 Cb 0.34 1.61 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2x2d h VAL 36 CO 0.00 0.21 -0.00 0.40 -1.01 0.00 0.00 177.57 177.17 2x2d h ILE 37 N 0.00 1.26 -0.22 3.17 2.04 -1.47 0.82 117.51 123.10 2x2d h ILE 37 Ca -0.00 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 2x2d h ILE 37 Cb 0.59 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2x2d h ILE 37 CO 0.03 0.22 -0.24 1.55 0.00 0.00 0.00 178.15 179.71 2x2d h PRO 38 N -0.19 0.42 -0.21 2.37 0.13 -1.72 -2.39 132.00 130.41 2x2d h PRO 38 Ca 0.02 -0.15 0.04 0.00 -0.87 0.00 0.00 66.00 65.04 2x2d h PRO 38 Cb 0.35 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.42 2x2d h PRO 38 CO 0.00 0.64 -0.01 0.52 -0.23 0.00 0.00 178.00 178.91 2x2d h MET 39 N 0.37 0.05 -0.76 0.86 2.86 -1.38 -1.02 114.93 115.92 2x2d h MET 39 Ca 0.06 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2x2d h MET 39 Cb 0.63 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 2x2d h MET 39 CO 0.05 0.03 0.47 0.35 1.06 0.00 0.00 176.91 178.87 2x2d h PHE 40 N 0.05 0.87 -0.33 -0.22 3.57 -0.55 -0.14 116.94 120.20 2x2d h PHE 40 Ca 0.10 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.49 2x2d h PHE 40 Cb 0.14 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2x2d h PHE 40 CO -0.19 0.47 -0.33 1.03 -2.23 0.00 0.00 178.31 177.06 2x2d h SER 41 N 0.89 0.86 -0.74 0.41 0.87 -1.06 -2.52 113.55 112.26 2x2d h SER 41 Ca 0.32 -0.47 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 2x2d h SER 41 Cb 0.09 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 2x2d h SER 41 CO -0.14 1.16 0.35 0.00 -0.53 0.00 0.00 176.83 177.67 2x2d h ALA 42 N 0.73 0.96 0.00 6.23 0.00 -0.74 -2.94 119.26 123.51 2x2d h ALA 42 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2x2d h ALA 42 Cb 0.91 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2x2d h ALA 42 CO 0.08 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.15 2x2d n LEU 43 N -4.39 0.00 -0.73 0.00 4.77 -0.11 -3.90 117.00 112.64 2x2d n LEU 43 Ca 0.06 0.40 0.05 0.00 -0.03 0.00 0.00 56.01 56.50 2x2d n LEU 43 Cb 0.14 -0.40 0.21 0.00 -2.33 0.00 0.00 43.42 41.04 2x2d n LEU 43 CO 0.39 -0.07 0.63 -1.54 -1.33 0.00 0.00 177.39 175.47 2x2d n SER 44 N -1.40 2.88 -4.69 -1.43 3.41 -0.97 -5.00 113.62 106.42 2x2d n SER 44 Ca 0.08 -3.34 -0.42 0.00 -0.26 0.00 0.00 58.87 54.93 2x2d n SER 44 Cb 0.24 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 2x2d n SER 44 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2x2d s GLU 45 N -3.01 4.19 0.00 4.33 0.41 -1.25 -1.78 118.70 121.58 2x2d s GLU 45 Ca 0.40 2.37 0.00 0.00 -0.41 0.00 0.00 54.97 57.32 2x2d s GLU 45 Cb 0.35 -3.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 2x2d s GLU 45 CO 0.03 -0.77 0.00 0.41 -0.49 0.00 0.00 175.26 174.45 2x2d n GLY 46 N 4.06 0.48 3.77 -1.39 0.00 -1.26 -4.88 105.19 105.97 2x2d n GLY 46 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2x2d n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2d s ALA 47 N -2.12 3.25 0.65 4.61 0.00 -0.74 -2.01 121.76 125.41 2x2d s ALA 47 Ca 0.00 1.29 -0.08 0.00 0.00 0.00 0.00 51.96 53.17 2x2d s ALA 47 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.62 2x2d s ALA 47 CO 0.00 -0.92 1.00 0.95 0.00 0.00 0.00 175.76 176.79 2x2d s THR 48 N -1.25 3.42 0.36 0.00 -4.23 -1.26 -4.43 115.64 108.25 2x2d s THR 48 Ca 0.58 0.18 0.04 0.00 -1.18 0.00 0.00 61.69 61.31 2x2d s THR 48 Cb -0.39 -3.41 0.24 0.00 1.34 0.00 0.00 72.50 70.27 2x2d s THR 48 CO 0.51 -0.48 1.99 -0.65 -0.54 0.00 0.00 174.62 175.45 2x2d h PRO 49 N -0.44 0.68 -0.68 3.99 0.11 -1.86 -0.34 132.00 133.46 2x2d h PRO 49 Ca -0.45 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.62 2x2d h PRO 49 Cb 1.26 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2x2d h PRO 49 CO 0.62 0.50 0.43 0.37 -0.21 0.00 0.00 178.00 179.72 2x2d h GLN 50 N 0.69 0.84 -0.69 1.05 4.15 -1.92 -0.24 115.11 118.98 2x2d h GLN 50 Ca 0.18 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.60 2x2d h GLN 50 Cb 0.02 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 27.47 2x2d h GLN 50 CO -0.03 0.55 0.39 -0.44 -1.93 0.00 0.00 178.83 177.38 2x2d h ASP 51 N 0.86 0.59 -0.53 -0.69 3.32 -1.70 -1.60 116.42 116.68 2x2d h ASP 51 Ca 0.27 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 2x2d h ASP 51 Cb -0.02 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2x2d h ASP 51 CO -0.09 0.39 0.19 -0.07 -1.72 0.00 0.00 179.24 177.94 2x2d h LEU 52 N 0.73 0.76 -0.87 1.55 3.38 -0.48 -2.27 115.31 118.11 2x2d h LEU 52 Ca 0.30 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2x2d h LEU 52 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2x2d h LEU 52 CO -0.17 0.74 -0.01 0.78 0.09 0.00 0.00 178.44 179.87 2x2d h ASN 53 N 0.73 0.80 -0.74 -0.43 2.35 -0.83 -1.89 115.58 115.57 2x2d h ASN 53 Ca 0.18 -0.20 0.11 0.00 -0.55 0.00 0.00 56.30 55.83 2x2d h ASN 53 Cb 0.24 -0.21 -0.08 0.00 0.05 0.00 0.00 38.32 38.31 2x2d h ASN 53 CO -0.01 0.87 0.36 0.74 -1.65 0.00 0.00 177.43 177.74 2x2d h THR 54 N 0.77 0.80 -0.33 2.81 2.02 -1.07 0.22 112.91 118.12 2x2d h THR 54 Ca 0.15 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 2x2d h THR 54 Cb 0.48 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2x2d h THR 54 CO 0.02 0.11 0.04 0.24 0.37 0.00 0.00 175.52 176.30 2x2d h MET 55 N 0.59 0.56 -0.62 6.66 2.86 -0.82 -2.63 114.93 121.53 2x2d h MET 55 Ca 0.38 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.77 2x2d h MET 55 Cb 0.45 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2x2d h MET 55 CO -0.30 0.66 0.02 -0.07 1.06 0.00 0.00 176.91 178.27 2x2d h LEU 56 N 0.38 1.05 0.00 1.22 3.38 -1.02 -2.84 115.31 117.48 2x2d h LEU 56 Ca 0.10 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2x2d h LEU 56 Cb 0.38 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2x2d h LEU 56 CO 0.01 1.08 0.00 0.59 0.09 0.00 0.00 178.44 180.21 2x2d n ASN 57 N -4.18 0.00 0.03 -0.43 3.02 0.73 -2.74 115.26 111.68 2x2d n ASN 57 Ca 0.03 -0.41 0.12 0.00 -0.03 0.00 0.00 54.58 54.30 2x2d n ASN 57 Cb 0.34 -0.15 0.23 0.00 -0.61 0.00 0.00 39.78 39.59 2x2d n ASN 57 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2x2d n THR 58 N -1.15 0.18 -2.32 3.41 -2.24 -1.00 -4.89 114.28 106.27 2x2d n THR 58 Ca 0.15 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 2x2d n THR 58 Cb 0.15 0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 2x2d n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2x2d s VAL 59 N -3.09 4.04 0.01 2.28 1.01 -1.11 -4.96 120.40 118.58 2x2d s VAL 59 Ca 0.09 1.32 -0.17 0.00 0.00 0.00 0.00 61.98 63.22 2x2d s VAL 59 Cb 0.15 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 2x2d s VAL 59 CO 0.70 -0.07 0.49 -0.83 0.00 0.00 0.00 175.10 175.39 2x2d s GLY 60 N 2.07 2.54 0.00 4.51 0.00 -1.26 -4.94 107.32 110.24 2x2d s GLY 60 Ca 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2x2d s GLY 60 CO 0.21 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.32 2x2d n GLY 61 N 2.07 -1.19 4.09 0.20 0.00 -1.26 -4.96 105.19 104.14 2x2d n GLY 61 Ca -0.11 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 2x2d n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2x2d n HIS 62 N 0.00 -1.75 -0.15 1.61 8.25 -1.26 -4.85 115.22 117.07 2x2d n HIS 62 Ca 0.00 0.78 -0.10 0.00 -0.26 0.00 0.00 57.72 58.15 2x2d n HIS 62 Cb 0.00 -3.36 0.03 0.00 1.12 0.00 0.00 29.99 27.78 2x2d n HIS 62 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2x2d h GLN 63 N -1.70 0.95 -0.10 -0.41 7.50 -1.97 0.31 115.11 119.69 2x2d h GLN 63 Ca -0.61 -0.38 0.02 0.00 0.50 0.00 0.00 58.65 58.18 2x2d h GLN 63 Cb 1.38 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 28.85 2x2d h GLN 63 CO 0.71 1.04 -0.03 0.00 -1.50 0.00 0.00 178.83 179.05 2x2d h ALA 64 N 0.96 0.06 -0.55 3.87 0.00 -2.00 -1.26 119.26 120.35 2x2d h ALA 64 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2x2d h ALA 64 Cb 0.74 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2x2d h ALA 64 CO 0.06 -0.49 0.34 0.00 0.00 0.00 0.00 179.25 179.16 2x2d h ALA 65 N 1.09 0.70 -0.37 0.00 0.00 -1.84 -1.39 119.26 117.44 2x2d h ALA 65 Ca 0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2x2d h ALA 65 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2x2d h ALA 65 CO -0.10 0.16 -0.09 0.52 0.00 0.00 0.00 179.25 179.74 2x2d h MET 66 N 0.74 0.63 -0.30 0.00 2.07 -0.56 -0.85 114.93 116.66 2x2d h MET 66 Ca 0.20 -0.18 -0.04 0.00 -2.07 0.00 0.00 59.70 57.60 2x2d h MET 66 Cb -0.04 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.61 2x2d h MET 66 CO -0.04 0.71 0.01 1.96 1.07 0.00 0.00 176.91 180.63 2x2d h GLN 67 N 0.58 0.53 -0.70 1.72 1.08 -1.05 -0.92 115.11 116.36 2x2d h GLN 67 Ca 0.11 -0.16 0.13 0.00 -1.45 0.00 0.00 58.65 57.28 2x2d h GLN 67 Cb 0.50 -0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 27.79 2x2d h GLN 67 CO 0.03 0.66 0.22 1.98 -0.95 0.00 0.00 178.83 180.77 2x2d h MET 68 N 0.33 0.35 -0.11 1.46 4.05 -0.82 -0.65 114.93 119.54 2x2d h MET 68 Ca 0.09 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2x2d h MET 68 Cb 0.41 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.13 2x2d h MET 68 CO 0.01 0.23 0.05 1.25 0.23 0.00 0.00 176.91 178.68 2x2d h LEU 69 N 0.36 0.14 -0.84 3.39 5.85 -0.94 -1.10 115.31 122.18 2x2d h LEU 69 Ca 0.38 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.99 2x2d h LEU 69 Cb 0.58 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 2x2d h LEU 69 CO -0.42 0.23 0.55 0.50 -0.34 0.00 0.00 178.44 178.96 2x2d h LYS 70 N 0.04 1.07 -0.69 1.25 3.64 -0.81 -0.76 116.57 120.32 2x2d h LYS 70 Ca 0.04 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2x2d h LYS 70 Cb 0.12 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2x2d h LYS 70 CO -0.00 0.71 0.35 1.49 -2.27 0.00 0.00 179.45 179.72 2x2d h GLU 71 N 1.10 0.98 -0.71 1.90 4.57 -0.82 0.55 114.58 122.15 2x2d h GLU 71 Ca 0.32 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 2x2d h GLU 71 Cb -0.08 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.30 2x2d h GLU 71 CO -0.08 0.76 0.29 1.15 -1.18 0.00 0.00 179.01 179.94 2x2d h THR 72 N 0.95 1.24 -0.33 0.32 2.02 -0.69 -1.14 112.91 115.29 2x2d h THR 72 Ca 0.24 -0.76 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 2x2d h THR 72 Cb 0.09 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 2x2d h THR 72 CO -0.03 0.31 -0.18 0.40 0.37 0.00 0.00 175.52 176.39 2x2d h ILE 73 N 1.03 1.26 -0.36 3.11 2.04 -0.70 -2.59 117.51 121.30 2x2d h ILE 73 Ca 0.24 -1.18 -0.16 0.00 1.00 0.00 0.00 64.86 64.76 2x2d h ILE 73 Cb 0.20 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2x2d h ILE 73 CO -0.02 0.39 -0.39 0.78 0.00 0.00 0.00 178.15 178.91 2x2d h ASN 74 N 0.54 0.97 -0.75 1.72 -0.26 -0.49 -0.84 115.58 116.47 2x2d h ASN 74 Ca 0.09 -0.47 0.06 0.00 -0.56 0.00 0.00 56.30 55.41 2x2d h ASN 74 Cb 0.61 -0.27 -0.06 0.00 -1.06 0.00 0.00 38.32 37.54 2x2d h ASN 74 CO 0.04 1.24 0.45 -0.33 -1.06 0.00 0.00 177.43 177.77 2x2d h GLU 75 N 0.71 0.81 -0.13 0.81 5.08 -1.13 -1.97 114.58 118.75 2x2d h GLU 75 Ca 0.05 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2x2d h GLU 75 Cb 0.98 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2x2d h GLU 75 CO 0.09 0.53 -0.56 0.93 -1.00 0.00 0.00 179.01 179.01 2x2d h GLU 76 N 0.83 0.41 -0.11 2.33 4.39 -1.04 -1.18 114.58 120.21 2x2d h GLU 76 Ca 0.33 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2x2d h GLU 76 Cb 0.15 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2x2d h GLU 76 CO -0.17 0.86 0.06 0.00 -1.16 0.00 0.00 179.01 178.61 2x2d h ALA 77 N 1.08 0.14 -0.50 3.43 0.00 -1.02 0.64 119.26 123.02 2x2d h ALA 77 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2x2d h ALA 77 Cb 1.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2x2d h ALA 77 CO 0.10 -0.34 0.27 0.00 0.00 0.00 0.00 179.25 179.28 2x2d h ALA 78 N 0.98 0.65 -0.73 0.00 0.00 -1.25 -2.22 119.26 116.69 2x2d h ALA 78 Ca 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2x2d h ALA 78 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2x2d h ALA 78 CO -0.01 0.17 0.29 1.49 0.00 0.00 0.00 179.25 181.19 2x2d h GLU 79 N 0.67 1.08 -0.72 0.00 4.57 -1.11 -1.03 114.58 118.05 2x2d h GLU 79 Ca 0.18 -0.19 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 2x2d h GLU 79 Cb 0.05 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 2x2d h GLU 79 CO -0.03 0.88 0.44 2.35 -1.18 0.00 0.00 179.01 181.47 2x2d h TRP 80 N 1.06 0.82 -0.47 0.92 2.91 -0.41 -1.75 115.95 119.04 2x2d h TRP 80 Ca 0.25 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.23 2x2d h TRP 80 Cb 0.20 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 28.57 2x2d h TRP 80 CO 0.02 0.44 0.06 -0.44 -1.03 0.00 0.00 178.44 177.49 2x2d h ASP 81 N 0.84 0.75 -0.89 2.65 5.19 -1.19 -0.28 116.42 123.49 2x2d h ASP 81 Ca 0.30 -0.27 0.08 0.00 -0.62 0.00 0.00 57.03 56.52 2x2d h ASP 81 Cb 0.08 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 39.33 2x2d h ASP 81 CO -0.13 0.83 0.58 -0.09 -3.12 0.00 0.00 179.24 177.31 2x2d h ARG 82 N 0.64 0.94 -0.00 3.56 2.43 -0.77 -2.73 114.38 118.45 2x2d h ARG 82 Ca 0.14 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2x2d h ARG 82 Cb 0.41 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2x2d h ARG 82 CO 0.01 0.62 -0.50 1.28 -1.51 0.00 0.00 179.97 179.87 2x2d n LEU 83 N -4.51 0.94 -3.61 3.80 4.77 -0.69 -4.60 117.00 113.09 2x2d n LEU 83 Ca 0.14 -0.26 -0.27 0.00 -0.03 0.00 0.00 56.01 55.59 2x2d n LEU 83 Cb 0.24 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.09 2x2d n LEU 83 CO 0.32 0.20 -0.18 1.41 -1.33 0.00 0.00 177.39 177.81 2x2d n HIS 84 N -1.05 1.08 -1.95 -1.77 8.25 -0.14 -5.08 115.22 114.57 2x2d n HIS 84 Ca 0.08 -3.79 -0.38 0.00 -0.26 0.00 0.00 57.72 53.37 2x2d n HIS 84 Cb 0.35 -0.17 0.02 0.00 1.12 0.00 0.00 29.99 31.31 2x2d n HIS 84 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2x2d s PRO 85 N -0.74 3.37 0.41 -0.41 0.04 -1.25 -4.75 135.00 131.66 2x2d s PRO 85 Ca 0.30 2.08 -0.25 0.00 0.04 0.00 0.00 61.00 63.16 2x2d s PRO 85 Cb 0.01 -2.32 -0.08 0.00 0.04 0.00 0.00 34.50 32.15 2x2d s PRO 85 CO -0.18 -0.96 1.24 0.08 0.04 0.00 0.00 177.00 177.22 2x2d s VAL 86 N -1.38 2.87 -0.24 -0.36 1.01 -1.26 -5.03 120.40 116.01 2x2d s VAL 86 Ca 0.68 0.75 -0.08 0.00 0.00 0.00 0.00 61.98 63.33 2x2d s VAL 86 Cb -0.36 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2x2d s VAL 86 CO 0.43 0.08 0.09 -1.00 0.00 0.00 0.00 175.10 174.71 2x2d s HIS 87 N -1.34 3.14 0.50 5.22 3.76 -1.26 -5.09 115.29 120.21 2x2d s HIS 87 Ca 0.58 -0.22 -0.23 0.00 -0.15 0.00 0.00 55.06 55.03 2x2d s HIS 87 Cb -0.34 -2.23 -0.07 0.00 1.11 0.00 0.00 32.58 31.05 2x2d s HIS 87 CO 0.44 -0.21 1.29 0.00 -0.85 0.00 0.00 174.74 175.41 2x2d n ALA 88 N 4.64 1.38 -1.46 -1.40 0.00 -1.26 -5.01 120.51 117.39 2x2d n ALA 88 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2x2d n ALA 88 Cb 0.52 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2x2d n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x2d n GLY 89 N 0.81 0.06 3.85 0.00 0.00 -1.26 -5.05 105.19 103.60 2x2d n GLY 89 Ca 0.09 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 2x2d n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2x2d s PRO 90 N -0.33 3.68 -0.27 1.61 0.04 -1.26 -5.15 135.00 133.32 2x2d s PRO 90 Ca 0.00 0.91 -0.25 0.00 0.04 0.00 0.00 61.00 61.70 2x2d s PRO 90 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2x2d s PRO 90 CO 0.00 -0.50 0.85 0.42 0.04 0.00 0.00 177.00 177.82 2x2d s ILE 91 N -2.84 4.78 0.51 0.56 1.01 -1.26 -5.04 121.20 118.93 2x2d s ILE 91 Ca 0.58 1.46 -0.22 0.00 0.00 0.00 0.00 60.65 62.48 2x2d s ILE 91 Cb -0.11 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 2x2d s ILE 91 CO 0.42 -0.19 1.21 0.00 0.00 0.00 0.00 174.94 176.38 2x2d s ALA 92 N 2.99 2.83 0.39 9.38 0.00 -1.26 -4.94 121.76 131.15 2x2d s ALA 92 Ca 0.35 1.03 -0.28 0.00 0.00 0.00 0.00 51.96 53.07 2x2d s ALA 92 Cb -0.14 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 2x2d s ALA 92 CO 0.10 -0.93 1.44 -1.25 0.00 0.00 0.00 175.76 175.12 2x2d s PRO 93 N -2.92 4.06 0.00 0.00 0.04 -1.26 -0.97 135.00 133.95 2x2d s PRO 93 Ca 0.69 2.47 0.00 0.00 0.04 0.00 0.00 61.00 64.20 2x2d s PRO 93 Cb -0.31 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2x2d s PRO 93 CO 0.37 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.28 2x2d n GLY 94 N 0.54 2.66 4.01 0.56 0.00 -1.26 -5.03 105.19 106.67 2x2d n GLY 94 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 2x2d n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x2d s GLN 95 N -0.41 2.88 0.05 1.61 -0.21 -0.14 -5.09 119.66 118.35 2x2d s GLN 95 Ca 0.00 -1.19 0.04 0.00 0.02 0.00 0.00 55.36 54.22 2x2d s GLN 95 Cb 0.00 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.22 2x2d s GLN 95 CO 0.00 -0.22 -0.11 -1.64 -2.12 0.00 0.00 175.29 171.20 2x2d s MET 96 N -4.33 0.69 0.77 2.91 -1.94 -1.26 -4.81 119.30 111.33 2x2d s MET 96 Ca 0.53 -0.83 -0.15 0.00 -1.71 0.00 0.00 55.69 53.53 2x2d s MET 96 Cb -0.10 -0.59 -0.02 0.00 2.01 0.00 0.00 34.83 36.12 2x2d s MET 96 CO 0.33 0.13 0.50 2.89 -0.01 0.00 0.00 175.02 178.85 2x2d n ARG 97 N 1.47 0.18 -2.64 2.03 1.85 -1.26 -4.93 116.66 113.36 2x2d n ARG 97 Ca -0.21 0.10 -0.41 0.00 -1.00 0.00 0.00 57.85 56.34 2x2d n ARG 97 Cb 0.55 -1.83 -0.05 0.00 -1.05 0.00 0.00 32.46 30.07 2x2d n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2x2d s GLU 98 N -2.95 4.72 0.29 2.89 0.41 -1.26 -4.97 118.70 117.84 2x2d s GLU 98 Ca 0.64 1.59 -0.29 0.00 -0.41 0.00 0.00 54.97 56.49 2x2d s GLU 98 Cb -0.32 -3.29 -0.10 0.00 -1.78 0.00 0.00 34.13 28.65 2x2d s GLU 98 CO 0.60 0.30 1.35 -1.25 -0.49 0.00 0.00 175.26 175.76 2x2d s PRO 99 N -0.78 4.33 0.52 0.39 0.04 -1.26 -5.04 135.00 133.20 2x2d s PRO 99 Ca 0.45 2.23 -0.01 0.00 0.04 0.00 0.00 61.00 63.71 2x2d s PRO 99 Cb -0.27 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.19 2x2d s PRO 99 CO 0.34 -0.26 0.76 1.03 0.04 0.00 0.00 177.00 178.90 2x2d s ARG 100 N -1.22 2.81 0.19 4.56 1.81 -1.26 -4.95 118.95 120.89 2x2d s ARG 100 Ca 0.53 -0.51 -0.18 0.00 -1.72 0.00 0.00 55.73 53.85 2x2d s ARG 100 Cb -0.40 -2.47 0.15 0.00 -0.45 0.00 0.00 34.95 31.78 2x2d s ARG 100 CO 0.49 -0.54 1.33 0.41 -0.68 0.00 0.00 175.30 176.31 2x2d n GLY 101 N -2.29 -1.88 0.36 -3.53 0.00 -1.26 -1.32 105.19 95.27 2x2d n GLY 101 Ca 0.04 0.98 0.04 0.00 0.00 0.00 0.00 46.02 47.08 2x2d n GLY 101 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2x2d h SER 102 N 0.00 0.85 -0.77 1.61 4.64 -1.95 -1.89 113.55 116.04 2x2d h SER 102 Ca 0.26 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 2x2d h SER 102 Cb 0.48 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 2x2d h SER 102 CO -0.85 0.56 0.30 0.44 -0.87 0.00 0.00 176.83 176.41 2x2d h ASP 103 N 0.97 1.08 -0.04 4.97 3.32 -1.53 -0.92 116.42 124.27 2x2d h ASP 103 Ca 0.35 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 2x2d h ASP 103 Cb 0.16 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2x2d h ASP 103 CO -0.12 0.97 -0.43 0.40 -1.72 0.00 0.00 179.24 178.33 2x2d h ILE 104 N 1.13 1.30 -0.00 0.35 2.04 -1.09 -2.04 117.51 119.20 2x2d h ILE 104 Ca 0.26 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.50 2x2d h ILE 104 Cb 0.23 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2x2d h ILE 104 CO -0.02 0.51 0.00 0.00 0.00 0.00 0.00 178.15 178.64 2x2d n ALA 105 N -2.51 2.67 -0.84 1.87 0.00 -0.74 -4.68 120.51 116.29 2x2d n ALA 105 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2x2d n ALA 105 Cb 0.54 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2x2d n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x2d n GLY 106 N 1.00 0.72 0.14 0.00 0.00 -0.77 -4.91 105.19 101.38 2x2d n GLY 106 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 2x2d n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x2d h THR 107 N 0.00 1.35 -0.05 2.61 2.02 -1.40 -3.36 112.91 114.08 2x2d h THR 107 Ca 0.00 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.46 2x2d h THR 107 Cb 0.00 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2x2d h THR 107 CO 0.00 0.81 0.00 0.35 0.37 0.00 0.00 175.52 177.05 2x2d n THR 108 N -3.69 0.51 -4.71 3.16 -2.24 -1.14 -5.00 114.28 101.17 2x2d n THR 108 Ca -0.13 -0.76 -0.31 0.00 -2.27 0.00 0.00 64.05 60.59 2x2d n THR 108 Cb 1.03 0.77 -0.13 0.00 -2.10 0.00 0.00 70.33 69.90 2x2d n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2x2d s SER 109 N -0.63 3.68 0.59 3.42 1.04 -1.26 -4.84 113.70 115.70 2x2d s SER 109 Ca 0.05 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 2x2d s SER 109 Cb 0.03 -0.55 0.03 0.00 0.10 0.00 0.00 66.02 65.63 2x2d s SER 109 CO 0.04 0.26 0.86 0.42 0.98 0.00 0.00 173.24 175.80 2x2d s THR 110 N -0.90 2.84 0.27 2.02 -4.23 -1.26 -4.82 115.64 109.55 2x2d s THR 110 Ca 0.14 -0.42 -0.03 0.00 -1.18 0.00 0.00 61.69 60.20 2x2d s THR 110 Cb -0.10 -3.12 0.17 0.00 1.34 0.00 0.00 72.50 70.78 2x2d s THR 110 CO 0.05 -0.11 1.83 0.25 -0.54 0.00 0.00 174.62 176.10 2x2d h LEU 111 N -0.15 0.88 -0.70 4.79 5.85 -1.99 -1.43 115.31 122.56 2x2d h LEU 111 Ca -0.44 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.08 2x2d h LEU 111 Cb 1.29 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2x2d h LEU 111 CO 0.57 0.81 0.19 1.56 -0.34 0.00 0.00 178.44 181.23 2x2d h GLN 112 N 0.93 1.10 -0.50 1.25 1.08 -1.99 -0.51 115.11 116.47 2x2d h GLN 112 Ca 0.21 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 2x2d h GLN 112 Cb 0.23 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2x2d h GLN 112 CO -0.01 0.96 0.21 0.93 -0.95 0.00 0.00 178.83 179.97 2x2d h GLU 113 N 1.04 0.74 -0.59 1.46 5.08 -1.85 0.21 114.58 120.68 2x2d h GLU 113 Ca 0.22 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 2x2d h GLU 113 Cb 0.34 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 2x2d h GLU 113 CO -0.00 0.65 0.24 1.96 -1.00 0.00 0.00 179.01 180.86 2x2d h GLN 114 N 0.67 0.42 -0.67 2.33 4.20 -1.06 0.39 115.11 121.39 2x2d h GLN 114 Ca 0.17 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 2x2d h GLN 114 Cb 0.18 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2x2d h GLN 114 CO -0.02 0.28 0.27 0.82 -0.67 0.00 0.00 178.83 179.52 2x2d h ILE 115 N 0.43 1.24 -0.24 2.54 2.04 -0.85 0.18 117.51 122.86 2x2d h ILE 115 Ca 0.29 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.46 2x2d h ILE 115 Cb 0.32 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 2x2d h ILE 115 CO -0.27 0.30 -0.09 1.23 0.00 0.00 0.00 178.15 179.32 2x2d h GLY 116 N 0.95 0.12 0.76 5.37 0.00 0.87 0.58 103.07 111.72 2x2d h GLY 116 Ca 0.22 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 2x2d h GLY 116 CO -0.02 -0.12 -0.03 1.49 0.00 0.00 0.00 176.54 177.87 2x2d h TRP 117 N -0.05 0.30 0.00 5.60 6.55 0.02 -2.71 115.95 125.66 2x2d h TRP 117 Ca 0.12 -0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.90 2x2d h TRP 117 Cb 0.23 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.46 2x2d h TRP 117 CO -0.27 0.55 0.00 0.52 -1.05 0.00 0.00 178.44 178.19 2x2d h MET 118 N -0.03 0.00 -0.27 0.49 2.86 -0.65 -2.17 114.93 115.17 2x2d h MET 118 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2x2d h MET 118 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2x2d h MET 118 CO 0.01 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.23 2x2d n THR 119 N -3.02 0.61 -1.06 2.22 -2.24 0.17 -4.74 114.28 106.22 2x2d n THR 119 Ca 0.00 -0.80 -0.29 0.00 -2.27 0.00 0.00 64.05 60.69 2x2d n THR 119 Cb 0.28 0.81 0.19 0.00 -2.10 0.00 0.00 70.33 69.50 2x2d n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2x2d s HIS 120 N -1.05 1.99 -0.30 4.78 5.04 -1.03 -4.92 115.29 119.80 2x2d s HIS 120 Ca 0.24 1.06 -0.03 0.00 -1.54 0.00 0.00 55.06 54.79 2x2d s HIS 120 Cb 0.13 -3.22 0.10 0.00 0.04 0.00 0.00 32.58 29.63 2x2d s HIS 120 CO 0.18 -3.02 0.13 1.21 -2.34 0.00 0.00 174.74 170.91 2x2d s ASN 121 N -3.28 3.64 0.25 9.88 2.47 -1.26 -1.95 114.94 124.69 2x2d s ASN 121 Ca 0.66 -1.45 -0.30 0.00 0.42 0.00 0.00 52.86 52.19 2x2d s ASN 121 Cb -0.20 -0.49 -0.09 0.00 -1.45 0.00 0.00 41.25 39.02 2x2d s ASN 121 CO 0.59 -0.42 0.96 -2.16 -3.72 0.00 0.00 177.10 172.34 2x2d s PRO 122 N 1.90 4.82 0.32 0.43 0.04 -1.26 -5.15 135.00 136.09 2x2d s PRO 122 Ca 0.10 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 2x2d s PRO 122 Cb -0.17 -3.26 -0.11 0.00 0.04 0.00 0.00 34.50 31.01 2x2d s PRO 122 CO -0.31 0.47 1.49 -1.25 0.04 0.00 0.00 177.00 177.44 2x2d s PRO 123 N -1.24 4.18 -0.46 0.56 0.04 -0.82 -5.01 135.00 132.25 2x2d s PRO 123 Ca 0.42 2.47 -0.16 0.00 0.04 0.00 0.00 61.00 63.77 2x2d s PRO 123 Cb -0.27 -3.03 0.06 0.00 0.04 0.00 0.00 34.50 31.30 2x2d s PRO 123 CO 0.33 -0.50 0.40 0.42 0.04 0.00 0.00 177.00 177.69 2x2d s ILE 124 N -0.51 5.21 -1.41 0.56 1.09 -0.84 -4.99 121.20 120.29 2x2d s ILE 124 Ca 0.57 -0.90 -0.11 0.00 -1.10 0.00 0.00 60.65 59.10 2x2d s ILE 124 Cb -0.45 -4.10 0.07 0.00 -1.06 0.00 0.00 42.46 36.93 2x2d s ILE 124 CO 0.53 -0.53 2.21 -0.81 -0.10 0.00 0.00 174.94 176.23 2x2d n PRO 125 N 5.29 3.31 0.03 2.79 -0.04 -1.26 -3.58 135.00 141.53 2x2d n PRO 125 Ca -0.11 -2.91 0.04 0.00 -0.04 0.00 0.00 63.50 60.47 2x2d n PRO 125 Cb 0.45 -3.07 0.42 0.00 -0.04 0.00 0.00 33.50 31.26 2x2d n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2x2d h VAL 126 N 3.71 1.11 0.00 0.52 -1.51 -1.91 -0.19 116.25 117.99 2x2d h VAL 126 Ca 0.56 -0.30 0.03 0.00 -1.23 0.00 0.00 66.70 65.76 2x2d h VAL 126 Cb 0.57 0.66 -0.04 0.00 -2.13 0.00 0.00 31.29 30.35 2x2d h VAL 126 CO 1.77 0.13 -0.23 1.23 -1.23 0.00 0.00 177.57 179.23 2x2d h GLY 127 N 0.56 -0.34 1.06 5.19 0.00 -1.86 -1.10 103.07 106.58 2x2d h GLY 127 Ca 0.12 0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.62 2x2d h GLY 127 CO -0.02 -0.20 -0.10 0.83 0.00 0.00 0.00 176.54 177.05 2x2d h GLU 128 N -0.36 0.96 -0.10 4.80 5.08 -1.35 -0.67 114.58 122.94 2x2d h GLU 128 Ca 0.06 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2x2d h GLU 128 Cb 0.44 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2x2d h GLU 128 CO -0.21 1.02 0.02 0.82 -1.00 0.00 0.00 179.01 179.67 2x2d h ILE 129 N 0.82 1.19 -0.49 3.13 2.04 -1.25 -1.85 117.51 121.09 2x2d h ILE 129 Ca 0.13 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 2x2d h ILE 129 Cb 0.65 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 2x2d h ILE 129 CO 0.05 0.17 0.29 0.22 0.00 0.00 0.00 178.15 178.88 2x2d h TYR 130 N -0.05 0.65 -0.99 1.37 3.20 -0.99 -2.32 116.97 117.84 2x2d h TYR 130 Ca 0.03 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.05 2x2d h TYR 130 Cb 0.25 -0.21 -0.10 0.00 1.54 0.00 0.00 36.73 38.21 2x2d h TYR 130 CO 0.01 0.46 0.61 -0.22 -1.64 0.00 0.00 178.16 177.37 2x2d h LYS 131 N 0.66 0.84 -0.42 1.82 3.64 -0.98 0.06 116.57 122.18 2x2d h LYS 131 Ca 0.18 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2x2d h LYS 131 Cb -0.00 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 2x2d h LYS 131 CO -0.03 0.56 0.25 0.00 -2.27 0.00 0.00 179.45 177.95 2x2d h ARG 132 N 0.87 0.48 -0.32 1.90 3.08 -0.80 0.17 114.38 119.75 2x2d h ARG 132 Ca 0.53 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.55 2x2d h ARG 132 Cb 0.69 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 2x2d h ARG 132 CO -0.33 0.32 0.18 -1.49 -1.07 0.00 0.00 179.97 177.59 2x2d h TRP 133 N 0.50 0.44 -0.35 3.04 6.55 -0.92 -1.72 115.95 123.49 2x2d h TRP 133 Ca 0.17 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.99 2x2d h TRP 133 Cb 0.02 -0.14 -0.02 0.00 -0.86 0.00 0.00 29.16 28.16 2x2d h TRP 133 CO -0.07 0.34 0.18 0.82 -1.05 0.00 0.00 178.44 178.66 2x2d h ILE 134 N 0.41 1.15 -0.32 1.49 2.04 -0.64 -1.62 117.51 120.02 2x2d h ILE 134 Ca 0.11 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 2x2d h ILE 134 Cb 0.04 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2x2d h ILE 134 CO -0.02 0.16 0.04 0.40 0.00 0.00 0.00 178.15 178.73 2x2d h ILE 135 N 0.43 1.17 -0.53 -0.67 2.04 -0.41 0.22 117.51 119.76 2x2d h ILE 135 Ca 0.12 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 2x2d h ILE 135 Cb 0.09 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2x2d h ILE 135 CO -0.02 0.22 0.26 -0.07 0.00 0.00 0.00 178.15 178.54 2x2d h LEU 136 N 0.46 0.70 -0.76 1.44 3.38 -1.11 -0.79 115.31 118.62 2x2d h LEU 136 Ca 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2x2d h LEU 136 Cb 0.24 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2x2d h LEU 136 CO 0.00 0.63 0.45 1.23 0.09 0.00 0.00 178.44 180.85 2x2d h GLY 137 N 0.71 1.11 0.98 0.83 0.00 -0.21 -2.31 103.07 104.19 2x2d h GLY 137 Ca 0.18 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2x2d h GLY 137 CO -0.02 0.45 0.10 1.41 0.00 0.00 0.00 176.54 178.48 2x2d h LEU 138 N 1.04 0.78 -2.65 3.11 3.38 -0.37 -1.69 115.31 118.91 2x2d h LEU 138 Ca 0.27 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2x2d h LEU 138 Cb -0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2x2d h LEU 138 CO -0.05 0.82 0.00 0.78 0.09 0.00 0.00 178.44 180.08 2x2d h ASN 139 N 0.70 0.00 0.00 -0.43 2.35 -0.85 -0.50 115.58 116.85 2x2d h ASN 139 Ca 0.15 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 2x2d h ASN 139 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2x2d h ASN 139 CO 0.01 0.00 -0.37 0.50 -1.65 0.00 0.00 177.43 175.91 2x2d h LYS 140 N 0.00 0.00 0.00 0.81 3.64 -1.14 -3.42 116.57 116.47 2x2d h LYS 140 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2x2d h LYS 140 Cb 0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2x2d h LYS 140 CO 0.00 0.71 -0.15 -0.84 -2.27 0.00 0.00 179.45 176.89 2x2d h ILE 141 N -1.00 0.42 0.00 2.00 3.07 -0.92 -2.66 117.51 118.43 2x2d h ILE 141 Ca -0.09 -0.86 0.00 0.00 1.55 0.00 0.00 64.86 65.46 2x2d h ILE 141 Cb 0.84 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 2x2d h ILE 141 CO -0.05 0.15 0.00 1.33 -1.05 0.00 0.00 178.15 178.53 2x2d n VAL 142 N -3.36 1.29 -0.17 0.16 0.24 -0.23 -2.03 118.33 114.23 2x2d n VAL 142 Ca -0.00 0.43 -0.04 0.00 -2.04 0.00 0.00 64.34 62.69 2x2d n VAL 142 Cb 0.36 -1.35 0.05 0.00 -1.47 0.00 0.00 33.84 31.43 2x2d n VAL 142 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2x2d h ARG 143 N 0.00 0.48 0.00 7.34 3.08 -1.73 -1.83 114.38 121.72 2x2d h ARG 143 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2x2d h ARG 143 Cb 0.14 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2x2d h ARG 143 CO 0.00 0.32 0.22 0.52 -1.07 0.00 0.00 179.97 179.96 2x2d h MET 144 N 0.49 0.00 0.00 0.04 2.86 -1.64 -2.52 114.93 114.17 2x2d h MET 144 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2x2d h MET 144 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2x2d h MET 144 CO -0.16 0.00 -0.05 0.66 1.06 0.00 0.00 176.91 178.42 2x2d n TYR 145 N -2.69 0.00 -0.40 -0.22 4.02 -0.74 -5.11 117.16 112.02 2x2d n TYR 145 Ca -0.02 -0.83 0.00 0.00 -0.01 0.00 0.00 57.90 57.04 2x2d n TYR 145 Cb 0.27 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 2x2d n TYR 145 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28