#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 2.72 -0.05 0.00 0.04 -1.26 -4.94 135.00 131.50 2o2l s PRO 2 Ca 0.00 1.65 0.10 0.00 0.04 0.00 0.00 61.00 62.79 2o2l s PRO 2 Cb 0.00 -1.92 0.26 0.00 0.04 0.00 0.00 34.50 32.88 2o2l s PRO 2 CO 0.00 -1.37 1.20 1.04 0.04 0.00 0.00 177.00 177.91 2o2l n GLN 3 N -2.14 2.70 -3.51 4.56 6.02 -1.26 -4.94 117.38 118.80 2o2l n GLN 3 Ca 0.12 -2.12 -0.08 0.00 -0.01 0.00 0.00 57.00 54.92 2o2l n GLN 3 Cb 0.51 -1.33 -0.02 0.00 1.02 0.00 0.00 30.24 30.41 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 -1.44 -0.35 0.29 1.08 1.04 -1.26 -5.02 113.70 108.03 2o2l s SER 4 Ca 0.21 -0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.61 2o2l s SER 4 Cb 0.15 0.38 0.41 0.00 0.10 0.00 0.00 66.02 67.07 2o2l s SER 4 CO 0.08 -0.62 1.89 -0.29 0.98 0.00 0.00 173.24 175.28 2o2l h ILE 5 N 2.00 1.22 -0.29 -1.02 2.10 -1.96 -1.07 117.51 118.49 2o2l h ILE 5 Ca -0.22 -0.62 -0.12 0.00 1.08 0.00 0.00 64.86 64.98 2o2l h ILE 5 Cb 1.24 0.38 -0.01 0.00 -1.09 0.00 0.00 36.82 37.33 2o2l h ILE 5 CO 0.30 0.26 -0.30 0.74 -1.08 0.00 0.00 178.15 178.07 2o2l h THR 6 N 0.94 1.28 -0.21 2.19 2.02 -1.98 0.21 112.91 117.35 2o2l h THR 6 Ca 0.23 -1.41 -0.08 0.00 0.77 0.00 0.00 66.41 65.92 2o2l h THR 6 Cb 0.11 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2o2l h THR 6 CO -0.03 0.45 -0.17 -0.08 0.37 0.00 0.00 175.52 176.06 2o2l h GLU 7 N 0.51 0.50 -0.44 6.66 4.81 -1.83 -2.10 114.58 122.69 2o2l h GLU 7 Ca 0.06 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2o2l h GLU 7 Cb 0.78 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2o2l h GLU 7 CO 0.06 0.82 0.25 1.25 -0.73 0.00 0.00 179.01 180.66 2o2l h LEU 8 N 0.19 0.55 -0.65 1.64 6.46 -1.01 -2.96 115.31 119.52 2o2l h LEU 8 Ca 0.04 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2o2l h LEU 8 Cb 0.70 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 2o2l h LEU 8 CO 0.05 0.47 0.36 0.00 -0.62 0.00 0.00 178.44 178.70 2o2l n SER 10 N -4.54 0.58 0.24 0.00 3.41 -0.79 -1.67 113.62 110.84 2o2l n SER 10 Ca 0.05 0.72 0.15 0.00 -0.26 0.00 0.00 58.87 59.52 2o2l n SER 10 Cb 0.08 -0.81 0.45 0.00 -0.26 0.00 0.00 64.21 63.66 2o2l n SER 10 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2o2l h GLU 11 N 0.00 0.00 -6.24 4.33 5.08 -1.40 -3.46 114.58 112.89 2o2l h GLU 11 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2o2l h GLU 11 Cb 0.13 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 2o2l h GLU 11 CO 0.00 0.00 -0.60 0.71 -1.00 0.00 0.00 179.01 178.12 2o2l s TYR 12 N -3.43 3.07 0.40 4.33 2.02 -0.67 -5.12 117.35 117.95 2o2l s TYR 12 Ca 0.04 -0.04 -0.13 0.00 -0.37 0.00 0.00 57.07 56.57 2o2l s TYR 12 Cb 0.07 -1.49 -0.07 0.00 -0.40 0.00 0.00 41.96 40.07 2o2l s TYR 12 CO 0.59 0.52 0.80 -1.01 -1.57 0.00 0.00 175.55 174.88 2o2l s HIS 13 N -1.70 3.43 -1.56 2.71 3.76 -1.26 -4.27 115.29 116.40 2o2l s HIS 13 Ca 0.30 1.18 -0.04 0.00 -0.15 0.00 0.00 55.06 56.34 2o2l s HIS 13 Cb -0.10 -2.54 0.01 0.00 1.11 0.00 0.00 32.58 31.06 2o2l s HIS 13 CO 0.22 -0.09 0.53 0.09 -0.85 0.00 0.00 174.74 174.64 2o2l n ASN 14 N -1.07 -5.91 -4.45 1.40 3.02 -1.26 -4.98 115.26 102.01 2o2l n ASN 14 Ca 0.03 -0.26 -0.26 0.00 -0.03 0.00 0.00 54.58 54.07 2o2l n ASN 14 Cb 0.54 -4.80 -0.11 0.00 -0.61 0.00 0.00 39.78 34.80 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 -3.14 2.46 0.09 3.41 -4.23 -1.26 -1.25 115.64 111.71 2o2l s THR 15 Ca 0.28 -2.16 -0.12 0.00 -1.18 0.00 0.00 61.69 58.51 2o2l s THR 15 Cb -0.12 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.50 2o2l s THR 15 CO 0.34 -0.23 0.27 0.00 -0.54 0.00 0.00 174.62 174.45 2o2l s GLN 16 N -3.03 0.89 -0.03 3.99 -2.07 -0.35 -4.91 119.66 114.16 2o2l s GLN 16 Ca 0.25 -0.79 -0.20 0.00 -1.82 0.00 0.00 55.36 52.80 2o2l s GLN 16 Cb -0.07 0.37 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 2o2l s GLN 16 CO 0.12 -0.30 0.56 0.42 -1.32 0.00 0.00 175.29 174.77 2o2l s ILE 17 N -3.54 4.98 -0.18 3.63 -1.09 -1.26 -1.37 121.20 122.37 2o2l s ILE 17 Ca 0.02 1.16 -0.05 0.00 -2.23 0.00 0.00 60.65 59.55 2o2l s ILE 17 Cb 0.03 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 2o2l s ILE 17 CO -0.10 0.41 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.71 2o2l s TYR 18 N -0.09 3.07 -0.30 3.97 1.51 0.31 -4.98 117.35 120.83 2o2l s TYR 18 Ca 0.30 -0.28 -0.24 0.00 -1.01 0.00 0.00 57.07 55.83 2o2l s TYR 18 Cb -0.17 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.65 2o2l s TYR 18 CO 0.16 -0.07 0.81 0.99 -1.11 0.00 0.00 175.55 176.32 2o2l s THR 19 N 0.58 4.78 -0.24 -0.71 2.01 -1.26 -1.48 115.64 119.32 2o2l s THR 19 Ca -0.01 1.23 -0.14 0.00 0.31 0.00 0.00 61.69 63.09 2o2l s THR 19 Cb -0.14 -4.16 -0.10 0.00 0.01 0.00 0.00 72.50 68.11 2o2l s THR 19 CO 0.02 -0.26 -0.33 -0.38 -0.69 0.00 0.00 174.62 172.98 2o2l n ILE 20 N 5.54 1.43 -3.91 1.82 2.08 -0.56 -5.00 119.36 120.76 2o2l n ILE 20 Ca 0.04 -0.26 -0.26 0.00 0.56 0.00 0.00 62.75 62.84 2o2l n ILE 20 Cb 0.48 -1.94 -0.00 0.00 -0.75 0.00 0.00 39.64 37.42 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 -4.21 -1.40 -3.51 4.38 5.15 -0.28 -4.92 115.26 110.46 2o2l n ASN 21 Ca -0.43 -0.93 -0.09 0.00 -0.60 0.00 0.00 54.58 52.53 2o2l n ASN 21 Cb 0.78 -3.41 -0.02 0.00 -0.53 0.00 0.00 39.78 36.61 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 -4.13 -0.36 0.76 1.20 2.15 -0.89 -4.93 116.67 110.47 2o2l s ASP 22 Ca 0.16 0.03 -0.12 0.00 0.43 0.00 0.00 52.55 53.06 2o2l s ASP 22 Cb -0.08 0.38 0.05 0.00 -0.30 0.00 0.00 42.92 42.96 2o2l s ASP 22 CO 0.86 -0.60 1.12 -1.59 -0.17 0.00 0.00 175.17 174.79 2o2l s LYS 23 N -2.96 2.42 0.00 4.34 -2.85 -1.26 -1.05 119.74 118.38 2o2l s LYS 23 Ca 0.04 0.42 -0.30 0.00 -1.00 0.00 0.00 55.97 55.14 2o2l s LYS 23 Cb -0.01 -1.98 -0.04 0.00 -2.06 0.00 0.00 37.83 33.75 2o2l s LYS 23 CO -0.08 -1.34 1.09 0.42 0.10 0.00 0.00 175.35 175.55 2o2l s ILE 24 N -3.35 4.47 -0.08 3.79 1.01 -1.26 -4.81 121.20 120.97 2o2l s ILE 24 Ca 0.60 1.77 -0.27 0.00 0.00 0.00 0.00 60.65 62.75 2o2l s ILE 24 Cb -0.12 -4.14 -0.23 0.00 0.01 0.00 0.00 42.46 37.99 2o2l s ILE 24 CO 0.52 0.10 1.01 0.25 0.00 0.00 0.00 174.94 176.82 2o2l h LEU 25 N 7.15 -0.01 -8.05 2.97 5.85 -1.41 -3.47 115.31 118.34 2o2l h LEU 25 Ca -0.39 -0.71 -0.24 0.00 0.84 0.00 0.00 57.88 57.38 2o2l h LEU 25 Cb 1.20 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 42.01 2o2l h LEU 25 CO 0.80 0.71 -0.72 -0.94 -0.34 0.00 0.00 178.44 177.95 2o2l s SER 26 N -5.92 0.57 -0.12 1.25 1.04 -1.07 -4.99 113.70 104.47 2o2l s SER 26 Ca -0.17 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 55.82 2o2l s SER 26 Cb -0.01 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.18 2o2l s SER 26 CO 0.67 -0.20 -0.15 -0.47 0.98 0.00 0.00 173.24 174.07 2o2l s TYR 27 N -1.19 2.00 -0.00 5.02 6.14 -1.26 -1.73 117.35 126.33 2o2l s TYR 27 Ca -0.10 -0.99 0.07 0.00 0.64 0.00 0.00 57.07 56.69 2o2l s TYR 27 Cb -0.09 -1.46 -0.02 0.00 0.42 0.00 0.00 41.96 40.82 2o2l s TYR 27 CO -0.00 -0.53 -0.23 0.99 0.64 0.00 0.00 175.55 176.42 2o2l s THR 28 N 1.14 1.82 -0.02 4.34 2.01 0.23 -4.99 115.64 120.17 2o2l s THR 28 Ca -0.03 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.92 2o2l s THR 28 Cb -0.14 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.86 2o2l s THR 28 CO -0.04 0.46 0.01 -0.70 -0.69 0.00 0.00 174.62 173.66 2o2l s GLU 29 N -0.70 0.09 -0.02 4.92 2.12 -1.26 -0.45 118.70 123.40 2o2l s GLU 29 Ca 0.09 0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.57 2o2l s GLU 29 Cb -0.09 -0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.00 2o2l s GLU 29 CO -0.00 -0.12 -0.14 0.45 -0.54 0.00 0.00 175.26 174.90 2o2l s SER 30 N 0.86 1.72 -0.08 -1.70 0.15 -0.66 -5.00 113.70 108.99 2o2l s SER 30 Ca -0.08 -0.27 0.12 0.00 0.70 0.00 0.00 55.95 56.42 2o2l s SER 30 Cb -0.11 -0.31 0.27 0.00 -1.71 0.00 0.00 66.02 64.15 2o2l s SER 30 CO -0.02 0.15 1.19 1.15 1.20 0.00 0.00 173.24 176.91 2o2l n MET 31 N 2.93 2.42 -2.14 5.44 0.00 -1.26 -2.52 117.12 121.99 2o2l n MET 31 Ca -0.16 -2.24 -0.41 0.00 0.00 0.00 0.00 57.70 54.89 2o2l n MET 31 Cb 0.54 -1.39 -0.02 0.00 0.00 0.00 0.00 33.22 32.35 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 -1.99 3.51 0.13 3.17 0.00 -1.26 -4.83 121.76 120.48 2o2l s ALA 32 Ca 0.24 1.23 -0.34 0.00 0.00 0.00 0.00 51.96 53.09 2o2l s ALA 32 Cb 0.19 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 2o2l s ALA 32 CO 0.06 -0.61 1.64 0.41 0.00 0.00 0.00 175.76 177.27 2o2l n GLY 33 N 1.13 1.23 2.78 0.00 0.00 -1.26 -0.80 105.19 108.27 2o2l n GLY 33 Ca 0.01 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 3.99 -0.65 -2.71 1.61 4.76 -1.26 -4.84 118.16 119.05 2o2l n LYS 34 Ca 0.18 0.16 -0.04 0.00 -2.87 0.00 0.00 58.31 55.74 2o2l n LYS 34 Cb 0.30 -3.79 0.05 0.00 -1.84 0.00 0.00 35.03 29.74 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 -1.39 2.01 -2.53 1.97 5.12 0.02 -4.97 116.66 116.90 2o2l n ARG 35 Ca 0.00 -3.61 -0.41 0.00 -1.93 0.00 0.00 57.85 51.90 2o2l n ARG 35 Cb 0.16 -1.71 -0.02 0.00 -1.16 0.00 0.00 32.46 29.74 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 -3.78 3.70 0.14 5.56 8.01 -1.16 -4.31 118.70 126.87 2o2l s GLU 36 Ca 0.31 -1.53 -0.02 0.00 0.01 0.00 0.00 54.97 53.73 2o2l s GLU 36 Cb 0.33 -5.43 -0.04 0.00 -4.31 0.00 0.00 34.13 24.68 2o2l s GLU 36 CO -0.03 -2.36 0.08 0.00 0.01 0.00 0.00 175.26 172.97 2o2l s MET 37 N 4.74 0.96 -0.00 1.61 0.23 -1.05 -3.97 119.30 121.82 2o2l s MET 37 Ca 0.52 -1.42 0.08 0.00 -1.03 0.00 0.00 55.69 53.83 2o2l s MET 37 Cb 0.02 0.26 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 2o2l s MET 37 CO 0.00 -0.28 -0.24 0.08 -2.03 0.00 0.00 175.02 172.55 2o2l s VAL 38 N -4.05 2.24 -0.09 5.16 1.01 -1.10 -1.65 120.40 121.93 2o2l s VAL 38 Ca 0.24 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2o2l s VAL 38 Cb 0.07 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2o2l s VAL 38 CO 0.02 0.52 -0.11 -0.63 0.00 0.00 0.00 175.10 174.89 2o2l s ILE 39 N -0.69 1.19 0.23 2.22 1.01 0.41 -0.52 121.20 125.05 2o2l s ILE 39 Ca 0.11 -0.46 0.11 0.00 0.00 0.00 0.00 60.65 60.40 2o2l s ILE 39 Cb -0.10 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 2o2l s ILE 39 CO 0.00 0.38 -0.14 0.27 0.00 0.00 0.00 174.94 175.45 2o2l s ILE 40 N 1.09 2.82 0.01 2.92 -4.36 -0.14 0.75 121.20 124.30 2o2l s ILE 40 Ca -0.06 -2.02 -0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2o2l s ILE 40 Cb -0.14 -2.44 -0.01 0.00 1.25 0.00 0.00 42.46 41.12 2o2l s ILE 40 CO -0.02 -0.24 0.02 -0.89 0.24 0.00 0.00 174.94 174.05 2o2l s THR 41 N -2.04 0.09 0.19 8.37 2.01 -0.71 -0.61 115.64 122.94 2o2l s THR 41 Ca 0.27 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.56 2o2l s THR 41 Cb -0.07 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 2o2l s THR 41 CO 0.15 -0.43 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.14 2o2l s PHE 42 N -1.33 1.65 -0.52 4.92 0.08 -0.18 -0.98 117.98 121.63 2o2l s PHE 42 Ca -0.14 -0.58 0.23 0.00 0.12 0.00 0.00 56.93 56.56 2o2l s PHE 42 Cb -0.09 -0.79 0.96 0.00 -0.57 0.00 0.00 43.02 42.53 2o2l s PHE 42 CO -0.00 0.31 1.70 0.36 -0.10 0.00 0.00 175.22 177.49 2o2l n LYS 43 N -0.19 0.19 0.22 0.44 2.85 -1.26 -0.96 118.16 119.44 2o2l n LYS 43 Ca -0.10 0.40 0.15 0.00 -1.05 0.00 0.00 58.31 57.72 2o2l n LYS 43 Cb 0.60 -1.85 0.77 0.00 -0.65 0.00 0.00 35.03 33.90 2o2l n LYS 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2o2l h SER 44 N 0.00 0.00 0.00 -5.58 4.64 -1.98 -3.45 113.55 107.18 2o2l h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2o2l h SER 44 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2o2l h SER 44 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2o2l n GLY 45 N -0.94 0.54 3.72 -0.77 0.00 -0.13 -5.07 105.19 102.53 2o2l n GLY 45 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.26 3.29 -0.05 4.61 0.00 -1.24 -4.86 121.76 121.25 2o2l s ALA 46 Ca 0.00 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.72 2o2l s ALA 46 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 2o2l s ALA 46 CO 0.00 -0.26 -0.24 0.99 0.00 0.00 0.00 175.76 176.25 2o2l s THR 47 N 0.59 2.15 0.07 0.00 2.01 -1.26 -1.01 115.64 118.19 2o2l s THR 47 Ca 0.53 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2o2l s THR 47 Cb -0.26 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2o2l s THR 47 CO 0.30 0.57 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.36 2o2l s PHE 48 N -0.31 0.84 0.16 4.92 0.08 0.22 -3.93 117.98 119.96 2o2l s PHE 48 Ca 0.01 -0.68 0.09 0.00 0.12 0.00 0.00 56.93 56.47 2o2l s PHE 48 Cb -0.13 -0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 2o2l s PHE 48 CO 0.02 -0.09 -0.19 1.14 -0.10 0.00 0.00 175.22 176.01 2o2l s GLN 49 N -2.63 1.27 -0.32 0.44 -2.07 -0.66 -0.96 119.66 114.72 2o2l s GLN 49 Ca 0.01 -1.39 -0.12 0.00 -1.82 0.00 0.00 55.36 52.05 2o2l s GLN 49 Cb -0.03 -1.35 -0.02 0.00 -1.09 0.00 0.00 33.01 30.52 2o2l s GLN 49 CO -0.02 0.28 0.21 0.08 -1.32 0.00 0.00 175.29 174.52 2o2l s VAL 50 N -1.95 5.11 0.65 3.63 1.01 0.32 -1.28 120.40 127.89 2o2l s VAL 50 Ca 0.15 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 2o2l s VAL 50 Cb -0.06 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2o2l s VAL 50 CO 0.06 0.06 1.27 -1.61 0.00 0.00 0.00 175.10 174.89 2o2l s GLU 51 N 1.70 2.57 0.24 2.72 2.02 -1.26 -2.69 118.70 124.00 2o2l s GLU 51 Ca 0.06 1.99 -0.30 0.00 0.02 0.00 0.00 54.97 56.74 2o2l s GLU 51 Cb -0.17 -1.86 -0.15 0.00 0.10 0.00 0.00 34.13 32.05 2o2l s GLU 51 CO 0.09 -1.56 1.02 0.28 0.02 0.00 0.00 175.26 175.11 2o2l n VAL 52 N -1.95 1.63 -0.64 2.63 0.31 -1.25 -4.86 118.33 114.18 2o2l n VAL 52 Ca 0.15 -0.41 -0.30 0.00 -0.01 0.00 0.00 64.34 63.77 2o2l n VAL 52 Cb 0.49 -0.87 0.28 0.00 -0.91 0.00 0.00 33.84 32.82 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 1.09 -4.05 -0.04 5.55 -0.02 -1.26 -5.08 135.00 131.20 2o2l n PRO 53 Ca 0.12 -1.62 -0.01 0.00 -2.02 0.00 0.00 63.50 59.97 2o2l n PRO 53 Cb 0.29 -1.78 -0.09 0.00 -0.02 0.00 0.00 33.50 31.90 2o2l n PRO 53 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2o2l n ASP 59 N -5.38 2.25 0.15 2.55 8.00 -1.26 -5.15 116.55 117.72 2o2l n ASP 59 Ca 0.15 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.77 2o2l n ASP 59 Cb 0.60 1.05 0.23 0.00 -0.02 0.00 0.00 41.12 42.98 2o2l n ASP 59 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2o2l h SER 60 N 0.00 0.00 0.42 -2.24 4.64 -2.06 -3.15 113.55 111.17 2o2l h SER 60 Ca -0.20 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.03 2o2l h SER 60 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2o2l h SER 60 CO 0.01 0.01 -0.35 1.56 -0.87 0.00 0.00 176.83 177.20 2o2l h GLN 61 N 0.00 0.00 0.15 4.77 4.20 -2.05 -2.83 115.11 119.34 2o2l h GLN 61 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2o2l h GLN 61 Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2o2l h GLN 61 CO 0.00 0.35 -0.07 0.87 -0.67 0.00 0.00 178.83 179.30 2o2l h LYS 62 N 0.00 -0.19 -0.74 1.46 1.79 -1.99 0.11 116.57 117.01 2o2l h LYS 62 Ca -0.00 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2o2l h LYS 62 Cb 0.65 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.31 2o2l h LYS 62 CO 0.04 -0.13 0.44 0.87 -1.08 0.00 0.00 179.45 179.60 2o2l h LYS 63 N -0.20 1.01 -0.42 3.15 1.57 -1.69 -2.40 116.57 117.58 2o2l h LYS 63 Ca -0.02 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 2o2l h LYS 63 Cb 0.16 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2o2l h LYS 63 CO 0.03 0.71 -0.22 0.00 -0.57 0.00 0.00 179.45 179.41 2o2l h ALA 64 N 1.46 0.82 0.04 3.86 0.00 -1.19 -0.84 119.26 123.41 2o2l h ALA 64 Ca 0.27 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2o2l h ALA 64 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2o2l h ALA 64 CO -0.05 0.65 -0.02 0.82 0.00 0.00 0.00 179.25 180.65 2o2l h ILE 65 N 0.74 0.97 -0.87 0.00 2.04 -0.46 0.04 117.51 119.96 2o2l h ILE 65 Ca 0.10 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 2o2l h ILE 65 Cb 0.75 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2o2l h ILE 65 CO 0.06 0.00 0.54 -0.33 0.00 0.00 0.00 178.15 178.42 2o2l h GLU 66 N -0.05 1.17 -0.36 2.37 4.39 -1.27 -1.93 114.58 118.89 2o2l h GLU 66 Ca -0.01 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.61 2o2l h GLU 66 Cb 0.04 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 2o2l h GLU 66 CO 0.01 0.80 0.23 -0.09 -1.16 0.00 0.00 179.01 178.80 2o2l h ARG 67 N 1.19 0.45 -0.29 2.33 2.43 -0.92 -1.17 114.38 118.39 2o2l h ARG 67 Ca 0.31 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.50 2o2l h ARG 67 Cb -0.08 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 2o2l h ARG 67 CO -0.06 0.30 0.04 1.98 -1.51 0.00 0.00 179.97 180.71 2o2l h MET 68 N 0.46 0.13 -0.90 0.20 4.05 -0.47 0.14 114.93 118.55 2o2l h MET 68 Ca 0.14 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.58 2o2l h MET 68 Cb -0.02 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.70 2o2l h MET 68 CO -0.05 0.09 0.60 0.87 0.23 0.00 0.00 176.91 178.65 2o2l h LYS 69 N 0.14 1.13 -0.23 0.39 1.57 -1.19 0.24 116.57 118.62 2o2l h LYS 69 Ca 0.14 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2o2l h LYS 69 Cb 0.16 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2o2l h LYS 69 CO -0.20 0.75 0.14 -0.44 -0.57 0.00 0.00 179.45 179.13 2o2l h ASP 70 N 1.17 0.23 -0.64 0.86 5.19 -0.54 -1.86 116.42 120.83 2o2l h ASP 70 Ca 0.35 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.71 2o2l h ASP 70 Cb -0.05 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.39 2o2l h ASP 70 CO -0.09 0.17 0.22 0.74 -3.12 0.00 0.00 179.24 177.16 2o2l h THR 71 N 0.29 1.24 -0.41 0.35 2.02 0.12 -2.03 112.91 114.48 2o2l h THR 71 Ca 0.09 -0.81 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 2o2l h THR 71 Cb -0.01 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2o2l h THR 71 CO -0.04 0.31 -0.14 -0.07 0.37 0.00 0.00 175.52 175.95 2o2l h LEU 72 N 0.91 0.75 0.32 2.58 3.38 -0.89 -0.30 115.31 122.07 2o2l h LEU 72 Ca 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2o2l h LEU 72 Cb 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2o2l h LEU 72 CO -0.01 0.91 -0.15 -0.09 0.09 0.00 0.00 178.44 179.19 2o2l h ARG 73 N 0.68 -0.41 -0.09 1.13 2.43 -1.01 -0.38 114.38 116.73 2o2l h ARG 73 Ca 0.11 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 2o2l h ARG 73 Cb 0.62 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2o2l h ARG 73 CO 0.04 -0.20 -0.36 0.97 -1.51 0.00 0.00 179.97 178.91 2o2l h ILE 74 N -0.54 1.28 -0.59 1.20 6.09 -1.34 -0.71 117.51 122.90 2o2l h ILE 74 Ca -0.04 -1.36 -0.08 0.00 -1.37 0.00 0.00 64.86 62.01 2o2l h ILE 74 Cb 0.40 1.62 -0.02 0.00 0.47 0.00 0.00 36.82 39.29 2o2l h ILE 74 CO 0.07 0.40 0.05 0.74 -3.07 0.00 0.00 178.15 176.34 2o2l h THR 75 N 0.15 1.26 -0.20 2.19 2.02 -0.89 -1.25 112.91 116.19 2o2l h THR 75 Ca 0.02 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 2o2l h THR 75 Cb 0.71 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2o2l h THR 75 CO 0.05 0.39 0.02 0.22 0.37 0.00 0.00 175.52 176.58 2o2l h TYR 76 N 0.91 0.37 -0.45 3.16 3.20 -0.58 -1.91 116.97 121.67 2o2l h TYR 76 Ca 0.17 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2o2l h TYR 76 Cb 0.49 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2o2l h TYR 76 CO 0.04 0.51 0.14 -0.07 -1.64 0.00 0.00 178.16 177.13 2o2l h LEU 77 N 0.13 0.60 -1.03 2.82 3.38 -0.92 -2.19 115.31 118.10 2o2l h LEU 77 Ca 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2o2l h LEU 77 Cb 0.35 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2o2l h LEU 77 CO 0.01 0.58 -0.04 0.35 0.09 0.00 0.00 178.44 179.43 2o2l n THR 78 N -4.33 0.00 -3.00 0.22 -2.24 -0.49 -4.93 114.28 99.50 2o2l n THR 78 Ca 0.03 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.33 2o2l n THR 78 Cb 0.18 0.62 0.02 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.22 -4.17 -2.27 -0.78 1.02 -0.82 -4.94 120.64 108.90 2o2l n GLU 79 Ca 0.17 0.82 -0.41 0.00 -0.02 0.00 0.00 57.16 57.72 2o2l n GLU 79 Cb 0.39 -5.62 -0.03 0.00 -0.02 0.00 0.00 31.44 26.16 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 -3.09 3.39 -0.13 2.62 2.01 -0.76 -4.79 115.64 114.89 2o2l s THR 80 Ca 0.28 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 63.10 2o2l s THR 80 Cb -0.13 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2o2l s THR 80 CO 0.35 0.15 1.35 -0.75 -0.69 0.00 0.00 174.62 175.03 2o2l s LYS 81 N 0.09 4.23 0.06 4.92 2.20 -1.26 -4.32 119.74 125.66 2o2l s LYS 81 Ca 0.57 1.79 -0.25 0.00 -0.36 0.00 0.00 55.97 57.72 2o2l s LYS 81 Cb -0.35 -3.79 -0.06 0.00 -1.51 0.00 0.00 37.83 32.13 2o2l s LYS 81 CO 0.36 -0.71 0.77 0.42 -0.36 0.00 0.00 175.35 175.83 2o2l s ILE 82 N 3.47 4.70 -0.02 5.43 1.01 -0.22 -3.99 121.20 131.58 2o2l s ILE 82 Ca 0.59 1.65 -0.01 0.00 0.00 0.00 0.00 60.65 62.88 2o2l s ILE 82 Cb -0.25 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.10 2o2l s ILE 82 CO 0.19 0.38 -0.01 -0.78 0.00 0.00 0.00 174.94 174.71 2o2l h ASP 83 N 5.55 0.00 -3.74 3.58 3.58 -1.35 -0.59 116.42 123.45 2o2l h ASP 83 Ca -0.44 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.64 2o2l h ASP 83 Cb 1.21 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.11 2o2l h ASP 83 CO 0.70 0.10 -0.70 -0.54 -2.88 0.00 0.00 179.24 175.92 2o2l s LYS 84 N -1.14 1.21 -0.08 0.28 1.02 -1.13 -1.50 119.74 118.40 2o2l s LYS 84 Ca -0.01 -1.55 0.02 0.00 0.02 0.00 0.00 55.97 54.45 2o2l s LYS 84 Cb 0.00 -0.75 0.01 0.00 -0.52 0.00 0.00 37.83 36.58 2o2l s LYS 84 CO 0.02 0.05 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.84 2o2l s LEU 85 N -3.24 1.74 -0.29 3.17 1.43 -0.55 -1.55 118.68 119.38 2o2l s LEU 85 Ca 0.21 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 2o2l s LEU 85 Cb 0.03 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 2o2l s LEU 85 CO 0.04 0.05 0.50 0.00 0.23 0.00 0.00 176.35 177.18 2o2l s VAL 87 N 2.33 1.62 -0.15 0.00 -7.23 -0.47 0.38 120.40 116.88 2o2l s VAL 87 Ca 0.20 -1.69 -0.25 0.00 -1.81 0.00 0.00 61.98 58.43 2o2l s VAL 87 Cb -0.16 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 2o2l s VAL 87 CO 0.11 -0.23 0.81 0.26 -0.31 0.00 0.00 175.10 175.74 2o2l s TRP 88 N -1.67 3.45 -0.21 2.82 0.51 0.13 -1.21 118.94 122.77 2o2l s TRP 88 Ca 0.09 1.26 0.15 0.00 -2.12 0.00 0.00 56.10 55.49 2o2l s TRP 88 Cb -0.08 -2.98 0.67 0.00 -0.81 0.00 0.00 33.47 30.27 2o2l s TRP 88 CO 0.05 -0.18 1.58 0.27 -0.51 0.00 0.00 176.95 178.16 2o2l n ASN 89 N 4.95 4.74 -1.48 2.95 0.23 -0.38 -2.20 115.26 124.07 2o2l n ASN 89 Ca 0.03 -3.00 0.08 0.00 -0.53 0.00 0.00 54.58 51.16 2o2l n ASN 89 Cb 0.49 -0.62 0.34 0.00 -2.08 0.00 0.00 39.78 37.92 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 -0.00 4.91 -4.25 0.53 6.94 -1.26 -4.96 115.26 117.17 2o2l n ASN 90 Ca 0.25 -2.88 -0.17 0.00 -0.02 0.00 0.00 54.58 51.75 2o2l n ASN 90 Cb 1.05 -0.61 -0.11 0.00 -2.36 0.00 0.00 39.78 37.75 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 -2.63 1.05 -0.20 -3.83 -0.14 -1.26 -5.10 119.74 107.63 2o2l s LYS 91 Ca 0.49 -1.30 -0.01 0.00 -1.36 0.00 0.00 55.97 53.79 2o2l s LYS 91 Cb 0.37 -0.88 0.06 0.00 -1.68 0.00 0.00 37.83 35.70 2o2l s LYS 91 CO 0.14 0.16 0.00 0.99 -0.76 0.00 0.00 175.35 175.89 2o2l s THR 92 N -2.36 0.89 0.88 2.17 2.01 -1.26 -2.77 115.64 115.20 2o2l s THR 92 Ca 0.11 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 2o2l s THR 92 Cb -0.04 -1.30 0.12 0.00 0.01 0.00 0.00 72.50 71.30 2o2l s THR 92 CO 0.03 -0.15 1.15 -2.16 -0.69 0.00 0.00 174.62 172.80 2o2l s PRO 93 N 1.69 1.40 0.31 4.92 0.04 -1.26 -5.08 135.00 137.03 2o2l s PRO 93 Ca -0.02 0.24 -0.29 0.00 0.04 0.00 0.00 61.00 60.96 2o2l s PRO 93 Cb -0.18 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 2o2l s PRO 93 CO -0.07 -2.01 1.45 0.09 0.04 0.00 0.00 177.00 176.50 2o2l n ASN 94 N -3.63 3.31 -4.83 6.66 5.03 -1.12 -4.55 115.26 116.14 2o2l n ASN 94 Ca 0.07 1.18 -0.37 0.00 0.87 0.00 0.00 54.58 56.33 2o2l n ASN 94 Cb 0.60 -1.53 -0.07 0.00 -1.02 0.00 0.00 39.78 37.76 2o2l n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2o2l s SER 95 N 0.12 6.42 -0.06 6.41 0.15 -0.94 -1.66 113.70 124.14 2o2l s SER 95 Ca 0.61 0.49 -0.28 0.00 0.70 0.00 0.00 55.95 57.47 2o2l s SER 95 Cb -0.55 -2.11 -0.02 0.00 -1.71 0.00 0.00 66.02 61.63 2o2l s SER 95 CO 0.55 0.32 0.93 -0.63 1.20 0.00 0.00 173.24 175.61 2o2l s ILE 96 N -0.58 4.87 -0.17 6.45 1.01 -0.41 0.19 121.20 132.56 2o2l s ILE 96 Ca 0.15 1.92 0.09 0.00 0.00 0.00 0.00 60.65 62.80 2o2l s ILE 96 Cb -0.13 -4.26 -0.17 0.00 0.01 0.00 0.00 42.46 37.92 2o2l s ILE 96 CO 0.04 0.12 -0.04 0.00 0.00 0.00 0.00 174.94 175.06 2o2l n ALA 97 N 4.34 1.59 -3.34 9.38 0.00 0.16 -4.88 120.51 127.76 2o2l n ALA 97 Ca 0.05 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.40 2o2l n ALA 97 Cb 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.39 -1.45 0.02 0.00 0.00 -0.62 -4.97 121.76 112.36 2o2l s ALA 98 Ca -0.16 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.39 2o2l s ALA 98 Cb 0.06 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 2o2l s ALA 98 CO 0.57 -0.62 -0.10 -1.50 0.00 0.00 0.00 175.76 174.11 2o2l s ILE 99 N -3.05 0.77 0.05 0.00 2.07 -1.26 0.03 121.20 119.81 2o2l s ILE 99 Ca -0.02 -0.75 0.05 0.00 -1.41 0.00 0.00 60.65 58.52 2o2l s ILE 99 Cb -0.00 -0.71 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 2o2l s ILE 99 CO -0.07 -0.02 -0.13 -0.94 -1.91 0.00 0.00 174.94 171.87 2o2l s SER 100 N -0.86 1.53 0.01 4.50 1.04 -0.60 -5.00 113.70 114.33 2o2l s SER 100 Ca -0.01 -0.54 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 2o2l s SER 100 Cb -0.06 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 2o2l s SER 100 CO 0.00 -0.05 0.00 -0.04 0.98 0.00 0.00 173.24 174.13 2o2l s MET 101 N -1.47 0.23 -0.29 4.02 1.00 -1.26 -1.00 119.30 120.53 2o2l s MET 101 Ca -0.02 -0.38 -0.20 0.00 0.00 0.00 0.00 55.69 55.09 2o2l s MET 101 Cb -0.09 0.08 0.13 0.00 0.00 0.00 0.00 34.83 34.96 2o2l s MET 101 CO 0.02 -0.04 0.99 -2.00 0.00 0.00 0.00 175.02 173.99 2o2l s GLU 102 N -0.96 0.44 0.00 2.03 2.12 -1.26 -4.88 118.70 116.20 2o2l s GLU 102 Ca -0.10 0.65 0.08 0.00 0.36 0.00 0.00 54.97 55.95 2o2l s GLU 102 Cb -0.06 0.15 0.06 0.00 0.26 0.00 0.00 34.13 34.54 2o2l s GLU 102 CO -0.00 -0.07 0.74 1.17 -0.54 0.00 0.00 175.26 176.55