#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o2l s PRO 2 N 0.00 2.26 0.00 0.00 0.04 -1.26 -4.95 135.00 131.10 2o2l s PRO 2 Ca 0.00 1.69 0.11 0.00 0.04 0.00 0.00 61.00 62.84 2o2l s PRO 2 Cb 0.00 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.79 2o2l s PRO 2 CO 0.00 -1.73 0.89 1.04 0.04 0.00 0.00 177.00 177.24 2o2l n GLN 3 N -2.66 0.77 -3.47 4.56 6.02 -1.26 -4.95 117.38 116.39 2o2l n GLN 3 Ca 0.13 -1.25 -0.11 0.00 -0.01 0.00 0.00 57.00 55.76 2o2l n GLN 3 Cb 0.51 -1.22 -0.02 0.00 1.02 0.00 0.00 30.24 30.53 2o2l n GLN 3 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2o2l s SER 4 N -0.93 -0.53 0.36 1.08 1.04 -1.26 -5.03 113.70 108.43 2o2l s SER 4 Ca 0.14 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.57 2o2l s SER 4 Cb 0.10 0.60 0.73 0.00 0.10 0.00 0.00 66.02 67.54 2o2l s SER 4 CO 0.14 -0.98 1.95 -0.29 0.98 0.00 0.00 173.24 175.04 2o2l h ILE 5 N 2.00 1.02 -0.24 -1.02 2.10 -1.96 -1.19 117.51 118.22 2o2l h ILE 5 Ca -0.32 -0.26 -0.08 0.00 1.08 0.00 0.00 64.86 65.28 2o2l h ILE 5 Cb 1.30 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 37.21 2o2l h ILE 5 CO 0.36 0.14 -0.15 0.74 -1.08 0.00 0.00 178.15 178.16 2o2l h THR 6 N 0.77 1.31 -0.15 2.19 2.02 -1.99 -0.34 112.91 116.72 2o2l h THR 6 Ca 0.32 -1.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 2o2l h THR 6 Cb 0.27 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2o2l h THR 6 CO -0.11 0.39 0.09 -0.08 0.37 0.00 0.00 175.52 176.18 2o2l h GLU 7 N 0.25 0.21 -0.37 6.66 4.81 -1.85 -2.19 114.58 122.10 2o2l h GLU 7 Ca 0.05 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2o2l h GLU 7 Cb 0.67 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 2o2l h GLU 7 CO 0.04 0.20 0.04 1.25 -0.73 0.00 0.00 179.01 179.81 2o2l h LEU 8 N 0.16 -0.05 -1.17 1.64 6.46 -1.20 -2.19 115.31 118.96 2o2l h LEU 8 Ca 0.05 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.95 2o2l h LEU 8 Cb 0.05 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.03 2o2l h LEU 8 CO -0.01 0.01 0.58 0.00 -0.62 0.00 0.00 178.44 178.40 2o2l n SER 10 N -4.49 0.00 -0.01 0.00 3.41 -0.83 -2.35 113.62 109.35 2o2l n SER 10 Ca 0.13 0.31 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 2o2l n SER 10 Cb 0.20 -0.42 0.69 0.00 -0.26 0.00 0.00 64.21 64.43 2o2l n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2o2l n GLU 11 N -1.42 0.29 -4.34 4.33 1.02 -0.71 -4.91 120.64 114.91 2o2l n GLU 11 Ca 0.06 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.94 2o2l n GLU 11 Cb 0.20 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.99 2o2l n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2o2l s TYR 12 N -2.72 1.96 0.46 -0.32 2.02 -0.99 -5.13 117.35 112.64 2o2l s TYR 12 Ca 0.23 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.39 2o2l s TYR 12 Cb 0.20 -1.03 -0.07 0.00 -0.40 0.00 0.00 41.96 40.67 2o2l s TYR 12 CO 0.49 0.31 0.87 -1.01 -1.57 0.00 0.00 175.55 174.64 2o2l s HIS 13 N -1.49 3.48 -1.43 2.71 3.76 -1.26 -4.14 115.29 116.91 2o2l s HIS 13 Ca 0.13 1.20 -0.11 0.00 -0.15 0.00 0.00 55.06 56.12 2o2l s HIS 13 Cb -0.08 -2.58 0.04 0.00 1.11 0.00 0.00 32.58 31.07 2o2l s HIS 13 CO 0.06 -0.25 1.10 0.09 -0.85 0.00 0.00 174.74 174.89 2o2l n ASN 14 N -1.56 -5.82 -4.43 1.40 3.02 -1.26 -4.97 115.26 101.64 2o2l n ASN 14 Ca 0.04 -0.62 -0.22 0.00 -0.03 0.00 0.00 54.58 53.75 2o2l n ASN 14 Cb 0.54 -4.60 -0.10 0.00 -0.61 0.00 0.00 39.78 35.01 2o2l n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2o2l s THR 15 N -3.31 2.10 0.18 3.41 -4.23 -1.26 -2.13 115.64 110.40 2o2l s THR 15 Ca 0.61 -2.29 -0.17 0.00 -1.18 0.00 0.00 61.69 58.66 2o2l s THR 15 Cb -0.29 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.33 2o2l s THR 15 CO 0.76 -0.45 0.49 0.00 -0.54 0.00 0.00 174.62 174.88 2o2l s GLN 16 N -3.59 1.31 -0.23 3.99 -2.07 -0.15 -4.88 119.66 114.03 2o2l s GLN 16 Ca 0.27 -0.83 -0.08 0.00 -1.82 0.00 0.00 55.36 52.90 2o2l s GLN 16 Cb -0.02 0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 32.37 2o2l s GLN 16 CO 0.12 -0.54 0.10 0.42 -1.32 0.00 0.00 175.29 174.06 2o2l s ILE 17 N -3.86 4.73 -0.17 3.63 -1.09 -1.26 -1.13 121.20 122.04 2o2l s ILE 17 Ca 0.08 -0.04 -0.09 0.00 -2.23 0.00 0.00 60.65 58.37 2o2l s ILE 17 Cb -0.00 -3.19 -0.05 0.00 -1.58 0.00 0.00 42.46 37.64 2o2l s ILE 17 CO -0.05 0.36 0.12 -0.31 -1.23 0.00 0.00 174.94 173.83 2o2l s TYR 18 N 1.22 3.44 -0.38 3.97 1.51 -0.42 -4.98 117.35 121.70 2o2l s TYR 18 Ca 0.05 0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 56.26 2o2l s TYR 18 Cb -0.14 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.63 2o2l s TYR 18 CO 0.04 0.40 0.65 0.99 -1.11 0.00 0.00 175.55 176.52 2o2l s THR 19 N -0.04 4.86 -0.23 -0.71 2.01 -1.26 -1.68 115.64 118.59 2o2l s THR 19 Ca 0.09 0.45 -0.17 0.00 0.31 0.00 0.00 61.69 62.37 2o2l s THR 19 Cb -0.11 -4.13 -0.14 0.00 0.01 0.00 0.00 72.50 68.13 2o2l s THR 19 CO -0.00 -0.41 -0.08 -0.38 -0.69 0.00 0.00 174.62 173.05 2o2l n ILE 20 N 5.69 1.52 -4.17 1.82 2.08 0.08 -4.98 119.36 121.40 2o2l n ILE 20 Ca -0.01 -0.15 -0.32 0.00 0.56 0.00 0.00 62.75 62.83 2o2l n ILE 20 Cb 0.48 -2.02 -0.06 0.00 -0.75 0.00 0.00 39.64 37.30 2o2l n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 2o2l n ASN 21 N -4.37 -0.35 -3.54 4.38 5.15 -0.14 -4.92 115.26 111.47 2o2l n ASN 21 Ca -0.39 -1.21 -0.07 0.00 -0.60 0.00 0.00 54.58 52.32 2o2l n ASN 21 Cb 0.73 -2.04 -0.02 0.00 -0.53 0.00 0.00 39.78 37.92 2o2l n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2o2l s ASP 22 N -4.22 -0.29 0.76 1.20 2.15 -0.92 -4.94 116.67 110.41 2o2l s ASP 22 Ca 0.09 -0.02 -0.11 0.00 0.43 0.00 0.00 52.55 52.94 2o2l s ASP 22 Cb -0.05 0.32 0.05 0.00 -0.30 0.00 0.00 42.92 42.94 2o2l s ASP 22 CO 0.96 -0.52 1.09 -1.59 -0.17 0.00 0.00 175.17 174.94 2o2l s LYS 23 N -2.92 2.42 0.10 4.34 -2.85 -1.26 -1.02 119.74 118.54 2o2l s LYS 23 Ca 0.07 0.64 -0.31 0.00 -1.00 0.00 0.00 55.97 55.37 2o2l s LYS 23 Cb -0.01 -1.96 -0.07 0.00 -2.06 0.00 0.00 37.83 33.74 2o2l s LYS 23 CO -0.07 -1.39 1.24 0.42 0.10 0.00 0.00 175.35 175.65 2o2l s ILE 24 N -3.19 3.77 -0.12 3.79 1.01 -1.26 -4.77 121.20 120.43 2o2l s ILE 24 Ca 0.60 1.31 -0.28 0.00 0.00 0.00 0.00 60.65 62.27 2o2l s ILE 24 Cb -0.13 -3.84 -0.25 0.00 0.01 0.00 0.00 42.46 38.25 2o2l s ILE 24 CO 0.54 0.12 0.84 0.25 0.00 0.00 0.00 174.94 176.69 2o2l h LEU 25 N 6.48 -0.00 -8.00 2.97 5.85 -1.39 -3.47 115.31 117.75 2o2l h LEU 25 Ca -0.42 -0.90 -0.25 0.00 0.84 0.00 0.00 57.88 57.15 2o2l h LEU 25 Cb 1.21 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 42.01 2o2l h LEU 25 CO 0.81 0.90 -0.73 -0.94 -0.34 0.00 0.00 178.44 178.15 2o2l s SER 26 N -6.12 0.50 -0.12 1.25 1.04 -1.18 -4.99 113.70 104.08 2o2l s SER 26 Ca -0.18 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 55.91 2o2l s SER 26 Cb -0.02 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.14 2o2l s SER 26 CO 0.68 -0.15 -0.18 -0.47 0.98 0.00 0.00 173.24 174.10 2o2l s TYR 27 N -0.94 2.27 -0.04 5.02 6.14 -1.26 -2.05 117.35 126.50 2o2l s TYR 27 Ca -0.08 -1.12 0.04 0.00 0.64 0.00 0.00 57.07 56.56 2o2l s TYR 27 Cb -0.07 -1.60 -0.00 0.00 0.42 0.00 0.00 41.96 40.71 2o2l s TYR 27 CO -0.00 -0.55 -0.17 0.99 0.64 0.00 0.00 175.55 176.46 2o2l s THR 28 N 0.95 1.39 -0.04 4.34 2.01 0.19 -5.01 115.64 119.47 2o2l s THR 28 Ca -0.06 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.25 2o2l s THR 28 Cb -0.15 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 71.19 2o2l s THR 28 CO -0.02 0.40 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.57 2o2l s GLU 29 N -0.04 0.69 0.01 4.92 2.12 -1.26 0.03 118.70 125.16 2o2l s GLU 29 Ca -0.02 -0.09 0.07 0.00 0.36 0.00 0.00 54.97 55.30 2o2l s GLU 29 Cb -0.10 -0.72 -0.02 0.00 0.26 0.00 0.00 34.13 33.55 2o2l s GLU 29 CO 0.01 -0.06 -0.21 0.45 -0.54 0.00 0.00 175.26 174.91 2o2l s SER 30 N 0.79 2.52 -0.07 -1.70 0.15 -0.24 -4.99 113.70 110.16 2o2l s SER 30 Ca -0.10 -0.45 0.11 0.00 0.70 0.00 0.00 55.95 56.21 2o2l s SER 30 Cb -0.13 -0.25 0.28 0.00 -1.71 0.00 0.00 66.02 64.21 2o2l s SER 30 CO -0.00 0.22 1.21 1.15 1.20 0.00 0.00 173.24 177.01 2o2l n MET 31 N 2.22 2.61 -1.94 5.44 0.00 -1.26 -2.55 117.12 121.64 2o2l n MET 31 Ca -0.16 -2.20 -0.37 0.00 0.00 0.00 0.00 57.70 54.97 2o2l n MET 31 Cb 0.53 -1.38 0.03 0.00 0.00 0.00 0.00 33.22 32.40 2o2l n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2o2l s ALA 32 N -1.80 2.75 0.01 3.17 0.00 -1.26 -4.82 121.76 119.81 2o2l s ALA 32 Ca 0.23 1.16 -0.33 0.00 0.00 0.00 0.00 51.96 53.03 2o2l s ALA 32 Cb 0.17 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 2o2l s ALA 32 CO 0.07 -1.19 1.85 0.41 0.00 0.00 0.00 175.76 176.90 2o2l n GLY 33 N 0.63 1.53 2.54 0.00 0.00 -1.26 -0.70 105.19 107.93 2o2l n GLY 33 Ca 0.11 0.80 -0.04 0.00 0.00 0.00 0.00 46.02 46.89 2o2l n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2o2l n LYS 34 N 6.16 -1.12 -2.62 1.61 4.76 -1.26 -4.83 118.16 120.87 2o2l n LYS 34 Ca 0.20 0.49 -0.10 0.00 -2.87 0.00 0.00 58.31 56.04 2o2l n LYS 34 Cb 0.33 -4.44 0.03 0.00 -1.84 0.00 0.00 35.03 29.11 2o2l n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2o2l n ARG 35 N -1.17 2.04 -2.72 1.97 5.12 0.12 -4.98 116.66 117.03 2o2l n ARG 35 Ca -0.04 -3.65 -0.43 0.00 -1.93 0.00 0.00 57.85 51.81 2o2l n ARG 35 Cb 0.34 -1.67 -0.02 0.00 -1.16 0.00 0.00 32.46 29.94 2o2l n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2o2l s GLU 36 N -3.53 3.71 0.16 5.56 8.01 -1.15 -4.09 118.70 127.37 2o2l s GLU 36 Ca 0.33 -1.62 -0.09 0.00 0.01 0.00 0.00 54.97 53.61 2o2l s GLU 36 Cb 0.39 -5.22 -0.01 0.00 -4.31 0.00 0.00 34.13 24.98 2o2l s GLU 36 CO -0.02 -2.03 0.27 0.00 0.01 0.00 0.00 175.26 173.49 2o2l s MET 37 N 3.76 1.14 -0.04 1.61 0.23 -1.06 -4.18 119.30 120.76 2o2l s MET 37 Ca 0.43 -1.18 0.05 0.00 -1.03 0.00 0.00 55.69 53.96 2o2l s MET 37 Cb -0.01 0.37 -0.02 0.00 -1.53 0.00 0.00 34.83 33.64 2o2l s MET 37 CO -0.06 -0.41 -0.19 0.08 -2.03 0.00 0.00 175.02 172.40 2o2l s VAL 38 N -3.97 2.62 -0.09 5.16 1.01 -1.04 -1.08 120.40 123.01 2o2l s VAL 38 Ca 0.17 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2o2l s VAL 38 Cb 0.03 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 2o2l s VAL 38 CO -0.00 0.58 -0.23 -0.63 0.00 0.00 0.00 175.10 174.82 2o2l s ILE 39 N -0.60 2.00 0.22 2.22 1.01 0.10 -0.66 121.20 125.49 2o2l s ILE 39 Ca 0.09 -0.99 0.09 0.00 0.00 0.00 0.00 60.65 59.83 2o2l s ILE 39 Cb -0.11 -1.73 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2o2l s ILE 39 CO 0.00 0.55 -0.16 0.27 0.00 0.00 0.00 174.94 175.60 2o2l s ILE 40 N 0.28 1.91 0.03 2.92 -4.36 0.55 -0.63 121.20 121.89 2o2l s ILE 40 Ca -0.16 -2.24 -0.01 0.00 -0.26 0.00 0.00 60.65 57.98 2o2l s ILE 40 Cb -0.17 -2.09 -0.02 0.00 1.25 0.00 0.00 42.46 41.43 2o2l s ILE 40 CO 0.08 -0.53 -0.01 -0.89 0.24 0.00 0.00 174.94 173.82 2o2l s THR 41 N -2.80 0.13 0.22 8.37 2.01 -0.87 -0.50 115.64 122.19 2o2l s THR 41 Ca 0.24 -1.06 0.06 0.00 0.31 0.00 0.00 61.69 61.24 2o2l s THR 41 Cb -0.02 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 2o2l s THR 41 CO 0.09 -0.58 -0.09 -0.36 -0.69 0.00 0.00 174.62 172.98 2o2l s PHE 42 N -1.93 1.65 0.32 4.92 0.08 -0.53 -0.96 117.98 121.54 2o2l s PHE 42 Ca -0.11 -0.70 0.06 0.00 0.12 0.00 0.00 56.93 56.29 2o2l s PHE 42 Cb -0.06 -0.86 0.71 0.00 -0.57 0.00 0.00 43.02 42.23 2o2l s PHE 42 CO -0.03 0.22 1.85 0.87 -0.10 0.00 0.00 175.22 178.03 2o2l h LYS 43 N 2.52 0.80 -0.24 0.44 1.57 -1.89 -1.59 116.57 118.17 2o2l h LYS 43 Ca -0.38 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.42 2o2l h LYS 43 Cb 1.22 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2o2l h LYS 43 CO 0.64 0.53 0.42 0.66 -0.57 0.00 0.00 179.45 181.13 2o2l h SER 44 N 0.82 0.00 0.00 0.86 4.64 -1.98 -3.44 113.55 114.45 2o2l h SER 44 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2o2l h SER 44 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2o2l h SER 44 CO -0.23 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.34 2o2l n GLY 45 N -1.38 0.46 3.77 -0.77 0.00 -0.60 -5.09 105.19 101.58 2o2l n GLY 45 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2o2l n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o2l s ALA 46 N -2.00 3.18 -0.03 4.61 0.00 -1.25 -4.83 121.76 121.43 2o2l s ALA 46 Ca 0.00 0.94 0.02 0.00 0.00 0.00 0.00 51.96 52.93 2o2l s ALA 46 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.76 2o2l s ALA 46 CO 0.00 -0.47 -0.09 0.99 0.00 0.00 0.00 175.76 176.20 2o2l s THR 47 N -1.41 0.78 0.06 0.00 2.01 -1.26 -1.45 115.64 114.38 2o2l s THR 47 Ca 0.56 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.25 2o2l s THR 47 Cb -0.30 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 2o2l s THR 47 CO 0.38 0.26 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.14 2o2l s PHE 48 N 0.40 0.72 0.23 4.92 0.08 0.35 -3.87 117.98 120.81 2o2l s PHE 48 Ca -0.07 -0.68 0.11 0.00 0.12 0.00 0.00 56.93 56.42 2o2l s PHE 48 Cb -0.11 -0.43 -0.05 0.00 -0.57 0.00 0.00 43.02 41.87 2o2l s PHE 48 CO 0.01 -0.13 -0.19 1.14 -0.10 0.00 0.00 175.22 175.95 2o2l s GLN 49 N -2.50 1.72 -0.37 0.44 -2.07 -0.45 -0.33 119.66 116.09 2o2l s GLN 49 Ca -0.02 -1.59 -0.16 0.00 -1.82 0.00 0.00 55.36 51.78 2o2l s GLN 49 Cb -0.04 -1.88 -0.00 0.00 -1.09 0.00 0.00 33.01 30.01 2o2l s GLN 49 CO -0.02 0.37 0.39 0.08 -1.32 0.00 0.00 175.29 174.79 2o2l s VAL 50 N -2.08 5.14 0.42 3.63 1.01 0.16 -1.32 120.40 127.36 2o2l s VAL 50 Ca 0.26 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 2o2l s VAL 50 Cb -0.07 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 2o2l s VAL 50 CO 0.13 -0.20 0.76 -1.83 0.00 0.00 0.00 175.10 173.97 2o2l s GLU 51 N 2.06 3.72 0.31 2.72 -1.05 -1.26 -2.49 118.70 122.71 2o2l s GLU 51 Ca 0.12 0.39 -0.29 0.00 -0.15 0.00 0.00 54.97 55.04 2o2l s GLU 51 Cb -0.17 -2.40 -0.12 0.00 -0.44 0.00 0.00 34.13 31.01 2o2l s GLU 51 CO 0.12 -0.07 1.46 0.28 0.95 0.00 0.00 175.26 178.01 2o2l n VAL 52 N -1.50 1.46 -1.63 1.83 0.31 -1.26 -4.88 118.33 112.66 2o2l n VAL 52 Ca 0.02 -0.37 -0.47 0.00 -0.01 0.00 0.00 64.34 63.51 2o2l n VAL 52 Cb 0.54 -1.77 -0.04 0.00 -0.91 0.00 0.00 33.84 31.66 2o2l n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2o2l n PRO 53 N 1.36 1.64 0.00 5.55 -0.02 -1.26 -5.10 135.00 137.18 2o2l n PRO 53 Ca 0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2o2l n PRO 53 Cb 0.36 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2o2l n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o2l n GLY 54 N 2.43 0.15 3.62 -1.23 0.00 -1.26 -5.16 105.19 103.74 2o2l n GLY 54 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2o2l n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o2l s ILE 58 N -0.67 2.04 0.40 -0.61 1.01 -1.26 -5.23 121.20 116.87 2o2l s ILE 58 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 60.65 60.81 2o2l s ILE 58 Cb 0.00 -2.03 0.14 0.00 0.01 0.00 0.00 42.46 40.58 2o2l s ILE 58 CO 0.00 -0.02 1.90 0.44 0.00 0.00 0.00 174.94 177.26 2o2l h ASP 59 N -2.09 0.00 -0.06 3.58 3.32 -2.07 -1.75 116.42 117.35 2o2l h ASP 59 Ca -0.48 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 2o2l h ASP 59 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2o2l h ASP 59 CO 0.43 0.29 -0.33 0.77 -1.72 0.00 0.00 179.24 178.68 2o2l h SER 60 N 0.00 0.57 0.30 6.45 4.64 -2.06 -3.24 113.55 120.21 2o2l h SER 60 Ca -0.00 -0.23 -0.15 0.00 -0.47 0.00 0.00 61.79 60.94 2o2l h SER 60 Cb 0.53 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2o2l h SER 60 CO 0.04 0.86 -0.58 1.56 -0.87 0.00 0.00 176.83 177.84 2o2l h GLN 61 N 0.47 0.29 -0.13 4.77 4.20 -1.76 -3.04 115.11 119.90 2o2l h GLN 61 Ca 0.05 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.59 2o2l h GLN 61 Cb 0.80 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 2o2l h GLN 61 CO 0.07 0.79 0.02 0.87 -0.67 0.00 0.00 178.83 179.90 2o2l h LYS 62 N 0.22 0.06 -0.47 1.46 1.57 -1.51 0.10 116.57 118.01 2o2l h LYS 62 Ca -0.00 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2o2l h LYS 62 Cb 1.09 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2o2l h LYS 62 CO 0.09 0.04 0.31 0.87 -0.57 0.00 0.00 179.45 180.20 2o2l h LYS 63 N 0.07 0.55 -0.18 3.15 1.57 -1.66 -2.87 116.57 117.21 2o2l h LYS 63 Ca 0.06 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 2o2l h LYS 63 Cb 0.06 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.25 2o2l h LYS 63 CO -0.09 0.37 -0.57 0.00 -0.57 0.00 0.00 179.45 178.59 2o2l h ALA 64 N 1.72 0.31 -0.70 3.86 0.00 -1.20 -2.01 119.26 121.23 2o2l h ALA 64 Ca 0.18 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.62 2o2l h ALA 64 Cb 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2o2l h ALA 64 CO -0.04 0.54 0.41 0.82 0.00 0.00 0.00 179.25 180.97 2o2l h ILE 65 N 0.40 1.00 -0.44 0.00 2.04 -0.70 0.37 117.51 120.18 2o2l h ILE 65 Ca -0.02 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 2o2l h ILE 65 Cb 1.19 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2o2l h ILE 65 CO 0.12 0.14 -0.08 -0.33 0.00 0.00 0.00 178.15 178.00 2o2l h GLU 66 N 0.76 0.83 -0.22 2.37 4.39 -1.42 -2.30 114.58 118.99 2o2l h GLU 66 Ca 0.31 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2o2l h GLU 66 Cb 0.16 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2o2l h GLU 66 CO -0.17 0.93 0.14 -0.09 -1.16 0.00 0.00 179.01 178.67 2o2l h ARG 67 N 0.66 0.28 -0.77 2.33 2.43 -0.89 -1.15 114.38 117.28 2o2l h ARG 67 Ca 0.11 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.37 2o2l h ARG 67 Cb 0.61 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.02 2o2l h ARG 67 CO 0.04 0.19 0.39 1.98 -1.51 0.00 0.00 179.97 181.06 2o2l h MET 68 N 0.29 0.62 -0.37 0.20 4.05 -0.79 0.44 114.93 119.37 2o2l h MET 68 Ca 0.08 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 2o2l h MET 68 Cb -0.02 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 2o2l h MET 68 CO -0.03 0.41 0.03 0.87 0.23 0.00 0.00 176.91 178.42 2o2l h LYS 69 N 0.64 0.63 -0.37 0.39 1.57 -1.08 0.39 116.57 118.74 2o2l h LYS 69 Ca 0.39 -0.18 0.07 0.00 -1.87 0.00 0.00 60.65 59.05 2o2l h LYS 69 Cb 0.44 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 2o2l h LYS 69 CO -0.29 0.71 -0.04 -0.44 -0.57 0.00 0.00 179.45 178.83 2o2l h ASP 70 N 0.45 -0.23 -0.30 0.86 3.32 -0.46 -1.39 116.42 118.68 2o2l h ASP 70 Ca 0.11 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2o2l h ASP 70 Cb 0.41 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2o2l h ASP 70 CO 0.01 -0.07 0.20 0.74 -1.72 0.00 0.00 179.24 178.40 2o2l h THR 71 N 0.06 1.08 -0.83 0.35 2.02 0.24 -2.37 112.91 113.44 2o2l h THR 71 Ca 0.18 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.24 2o2l h THR 71 Cb 0.26 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 2o2l h THR 71 CO -0.33 0.07 0.54 -0.07 0.37 0.00 0.00 175.52 176.11 2o2l h LEU 72 N 0.41 0.92 0.53 2.58 3.38 -0.69 0.10 115.31 122.53 2o2l h LEU 72 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2o2l h LEU 72 Cb -0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2o2l h LEU 72 CO -0.03 0.65 -0.33 -0.09 0.09 0.00 0.00 178.44 178.74 2o2l h ARG 73 N 1.09 -0.79 0.00 1.13 2.43 -0.82 0.35 114.38 117.77 2o2l h ARG 73 Ca 0.32 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.45 2o2l h ARG 73 Cb -0.06 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2o2l h ARG 73 CO -0.09 -0.52 -0.46 0.97 -1.51 0.00 0.00 179.97 178.35 2o2l h ILE 74 N -0.82 1.32 -0.42 1.20 6.09 -1.36 -0.79 117.51 122.74 2o2l h ILE 74 Ca -0.06 -1.59 -0.01 0.00 -1.37 0.00 0.00 64.86 61.83 2o2l h ILE 74 Cb 0.67 1.86 -0.02 0.00 0.47 0.00 0.00 36.82 39.80 2o2l h ILE 74 CO 0.06 0.45 0.21 0.74 -3.07 0.00 0.00 178.15 176.55 2o2l h THR 75 N 0.00 1.17 -0.43 2.19 2.02 -0.77 -1.47 112.91 115.62 2o2l h THR 75 Ca -0.00 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 2o2l h THR 75 Cb 0.82 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2o2l h THR 75 CO 0.06 0.18 0.16 0.22 0.37 0.00 0.00 175.52 176.51 2o2l h TYR 76 N 0.53 0.66 0.00 3.16 3.20 -0.24 -2.03 116.97 122.26 2o2l h TYR 76 Ca 0.14 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 2o2l h TYR 76 Cb 0.09 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2o2l h TYR 76 CO -0.02 0.58 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.65 2o2l h LEU 77 N 0.55 0.00 -1.14 2.82 3.38 -1.06 -3.01 115.31 116.84 2o2l h LEU 77 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2o2l h LEU 77 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2o2l h LEU 77 CO -0.01 0.36 -0.16 0.35 0.09 0.00 0.00 178.44 179.07 2o2l n THR 78 N -3.65 0.00 -3.61 0.22 -2.24 -0.56 -4.96 114.28 99.47 2o2l n THR 78 Ca -0.01 -0.30 -0.24 0.00 -2.27 0.00 0.00 64.05 61.24 2o2l n THR 78 Cb 0.47 0.93 0.08 0.00 -2.10 0.00 0.00 70.33 69.70 2o2l n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2o2l n GLU 79 N 0.29 -7.54 -2.92 -0.78 1.02 -0.91 -4.95 120.64 104.85 2o2l n GLU 79 Ca 0.14 0.81 -0.41 0.00 -0.02 0.00 0.00 57.16 57.68 2o2l n GLU 79 Cb 0.45 -5.84 -0.04 0.00 -0.02 0.00 0.00 31.44 25.99 2o2l n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2o2l s THR 80 N -3.33 4.96 -0.02 2.62 2.01 -0.81 -4.84 115.64 116.24 2o2l s THR 80 Ca 0.51 1.66 -0.30 0.00 0.31 0.00 0.00 61.69 63.88 2o2l s THR 80 Cb -0.23 -4.14 -0.06 0.00 0.01 0.00 0.00 72.50 68.08 2o2l s THR 80 CO 0.74 0.18 1.56 -0.75 -0.69 0.00 0.00 174.62 175.67 2o2l s LYS 81 N 1.12 4.22 -0.11 4.92 2.20 -1.26 -4.42 119.74 126.39 2o2l s LYS 81 Ca 0.42 2.13 -0.23 0.00 -0.36 0.00 0.00 55.97 57.93 2o2l s LYS 81 Cb -0.18 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.34 2o2l s LYS 81 CO 0.20 -0.74 0.69 0.42 -0.36 0.00 0.00 175.35 175.56 2o2l s ILE 82 N 3.23 5.03 0.00 5.43 1.01 -0.19 -3.79 121.20 131.92 2o2l s ILE 82 Ca 0.70 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.73 2o2l s ILE 82 Cb -0.34 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2o2l s ILE 82 CO 0.28 0.20 0.16 -0.67 0.00 0.00 0.00 174.94 174.91 2o2l n ASP 83 N 4.24 0.00 -4.25 3.58 2.03 0.18 -0.97 116.55 121.36 2o2l n ASP 83 Ca -0.01 0.44 -0.17 0.00 0.52 0.00 0.00 54.79 55.57 2o2l n ASP 83 Cb 0.51 -0.34 -0.11 0.00 -0.72 0.00 0.00 41.12 40.46 2o2l n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2o2l s LYS 84 N -1.01 1.06 -0.04 -0.67 1.02 -1.10 -0.74 119.74 118.26 2o2l s LYS 84 Ca 0.00 -1.32 0.06 0.00 0.02 0.00 0.00 55.97 54.74 2o2l s LYS 84 Cb 0.00 -0.88 -0.01 0.00 -0.52 0.00 0.00 37.83 36.42 2o2l s LYS 84 CO 0.00 0.16 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.84 2o2l s LEU 85 N -2.68 2.04 -0.20 3.17 1.43 -0.68 -0.77 118.68 120.99 2o2l s LEU 85 Ca 0.12 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 2o2l s LEU 85 Cb -0.03 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2o2l s LEU 85 CO 0.03 0.25 0.08 0.00 0.23 0.00 0.00 176.35 176.94 2o2l s VAL 87 N 0.67 0.36 -0.16 0.00 -7.23 -0.28 0.32 120.40 114.07 2o2l s VAL 87 Ca 0.04 -0.82 -0.26 0.00 -1.81 0.00 0.00 61.98 59.13 2o2l s VAL 87 Cb -0.13 -0.42 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 2o2l s VAL 87 CO 0.02 -0.32 0.85 0.26 -0.31 0.00 0.00 175.10 175.60 2o2l s TRP 88 N -1.12 3.43 -0.25 2.82 0.51 0.74 -0.98 118.94 124.10 2o2l s TRP 88 Ca -0.09 1.29 0.14 0.00 -2.12 0.00 0.00 56.10 55.32 2o2l s TRP 88 Cb -0.08 -3.03 0.82 0.00 -0.81 0.00 0.00 33.47 30.37 2o2l s TRP 88 CO -0.00 -0.24 1.76 0.27 -0.51 0.00 0.00 176.95 178.23 2o2l n ASN 89 N 5.20 5.74 -1.50 2.95 0.23 -0.91 -2.17 115.26 124.81 2o2l n ASN 89 Ca 0.05 -2.94 -0.02 0.00 -0.53 0.00 0.00 54.58 51.14 2o2l n ASN 89 Cb 0.49 -0.69 0.27 0.00 -2.08 0.00 0.00 39.78 37.76 2o2l n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2o2l n ASN 90 N 0.60 4.04 -4.04 0.53 6.94 -1.26 -4.95 115.26 117.12 2o2l n ASN 90 Ca 0.28 -3.29 -0.09 0.00 -0.02 0.00 0.00 54.58 51.47 2o2l n ASN 90 Cb 1.21 -0.67 -0.11 0.00 -2.36 0.00 0.00 39.78 37.86 2o2l n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2o2l s LYS 91 N -3.01 0.46 -0.18 -3.83 -0.14 -1.26 -5.08 119.74 106.71 2o2l s LYS 91 Ca 0.49 -0.86 0.01 0.00 -1.36 0.00 0.00 55.97 54.25 2o2l s LYS 91 Cb 0.41 0.07 0.04 0.00 -1.68 0.00 0.00 37.83 36.66 2o2l s LYS 91 CO 0.09 -0.05 -0.11 0.99 -0.76 0.00 0.00 175.35 175.50 2o2l s THR 92 N -2.34 1.62 0.97 2.17 2.01 -1.26 -2.68 115.64 116.13 2o2l s THR 92 Ca -0.06 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 60.90 2o2l s THR 92 Cb -0.04 -1.65 0.17 0.00 0.01 0.00 0.00 72.50 71.00 2o2l s THR 92 CO -0.04 0.25 1.12 -2.16 -0.69 0.00 0.00 174.62 173.10 2o2l s PRO 93 N 1.42 0.65 0.38 4.92 0.04 -1.26 -5.07 135.00 136.08 2o2l s PRO 93 Ca 0.00 0.33 -0.27 0.00 0.04 0.00 0.00 61.00 61.10 2o2l s PRO 93 Cb -0.15 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 2o2l s PRO 93 CO -0.09 -2.54 1.36 0.09 0.04 0.00 0.00 177.00 175.86 2o2l n ASN 94 N -4.01 3.07 -4.63 6.66 4.13 -1.09 -4.57 115.26 114.82 2o2l n ASN 94 Ca 0.06 1.19 -0.35 0.00 1.68 0.00 0.00 54.58 57.16 2o2l n ASN 94 Cb 0.59 -1.54 -0.10 0.00 -1.54 0.00 0.00 39.78 37.19 2o2l n ASN 94 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2o2l s SER 95 N -0.31 5.68 -0.14 6.41 0.15 -0.92 -1.34 113.70 123.22 2o2l s SER 95 Ca 0.56 0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.99 2o2l s SER 95 Cb -0.52 -1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2o2l s SER 95 CO 0.62 0.15 1.23 -0.63 1.20 0.00 0.00 173.24 175.80 2o2l s ILE 96 N 0.54 4.31 -0.20 6.45 1.01 -0.44 -0.18 121.20 132.69 2o2l s ILE 96 Ca 0.04 1.59 0.09 0.00 0.00 0.00 0.00 60.65 62.38 2o2l s ILE 96 Cb -0.13 -4.03 -0.22 0.00 0.01 0.00 0.00 42.46 38.10 2o2l s ILE 96 CO 0.01 -0.11 0.04 0.00 0.00 0.00 0.00 174.94 174.88 2o2l n ALA 97 N 6.24 1.42 -3.10 9.38 0.00 0.15 -4.90 120.51 129.69 2o2l n ALA 97 Ca 0.13 -1.13 -0.12 0.00 0.00 0.00 0.00 53.44 52.32 2o2l n ALA 97 Cb 0.45 -0.26 -0.06 0.00 0.00 0.00 0.00 19.45 19.59 2o2l n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2o2l s ALA 98 N -2.52 -0.99 0.00 0.00 0.00 -0.87 -4.96 121.76 112.42 2o2l s ALA 98 Ca -0.20 0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.96 2o2l s ALA 98 Cb 0.07 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 2o2l s ALA 98 CO 0.74 -0.53 -0.04 -1.50 0.00 0.00 0.00 175.76 174.42 2o2l s ILE 99 N -2.97 0.34 0.06 0.00 2.07 -1.26 -0.41 121.20 119.03 2o2l s ILE 99 Ca -0.02 -0.27 0.07 0.00 -1.41 0.00 0.00 60.65 59.02 2o2l s ILE 99 Cb 0.00 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.26 2o2l s ILE 99 CO -0.06 0.04 -0.20 -0.94 -1.91 0.00 0.00 174.94 171.87 2o2l s SER 100 N -0.25 2.38 -0.06 4.50 1.04 0.05 -4.99 113.70 116.37 2o2l s SER 100 Ca 0.00 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 55.90 2o2l s SER 100 Cb -0.02 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.94 2o2l s SER 100 CO -0.00 0.12 -0.09 -0.04 0.98 0.00 0.00 173.24 174.21 2o2l s MET 101 N -1.34 1.36 -0.17 4.02 -1.94 -1.26 -0.64 119.30 119.33 2o2l s MET 101 Ca 0.06 -0.29 -0.22 0.00 -1.71 0.00 0.00 55.69 53.53 2o2l s MET 101 Cb -0.09 -1.19 0.06 0.00 2.01 0.00 0.00 34.83 35.62 2o2l s MET 101 CO 0.02 -0.02 0.59 -2.00 -0.01 0.00 0.00 175.02 173.60 2o2l s GLU 102 N 0.78 0.78 0.00 2.03 2.12 -1.25 -4.86 118.70 118.30 2o2l s GLU 102 Ca -0.13 0.61 0.30 0.00 0.36 0.00 0.00 54.97 56.11 2o2l s GLU 102 Cb -0.15 0.37 1.51 0.00 0.26 0.00 0.00 34.13 36.12 2o2l s GLU 102 CO 0.02 -0.15 2.00 1.63 -0.54 0.00 0.00 175.26 178.23