#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2egr s PHE 3 N 0.00 3.51 -0.29 0.54 5.36 0.27 -4.87 117.98 122.49 2egr s PHE 3 Ca 0.00 1.09 -0.11 0.00 -0.96 0.00 0.00 56.93 56.95 2egr s PHE 3 Cb 0.00 -2.75 -0.04 0.00 -0.34 0.00 0.00 43.02 39.89 2egr s PHE 3 CO 0.00 0.03 0.18 0.42 -1.46 0.00 0.00 175.22 174.39 2egr s ILE 4 N 1.07 5.12 -0.22 3.12 1.01 -1.26 -0.57 121.20 129.47 2egr s ILE 4 Ca 0.33 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.94 2egr s ILE 4 Cb -0.17 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 2egr s ILE 4 CO 0.14 0.21 0.02 -0.47 0.00 0.00 0.00 174.94 174.84 2egr s TYR 5 N 1.72 3.04 -0.03 3.97 5.04 0.65 -4.96 117.35 126.79 2egr s TYR 5 Ca 0.07 -0.53 -0.00 0.00 -2.44 0.00 0.00 57.07 54.16 2egr s TYR 5 Cb -0.16 -2.15 -0.04 0.00 0.35 0.00 0.00 41.96 39.96 2egr s TYR 5 CO 0.10 -0.34 0.03 0.50 -1.34 0.00 0.00 175.55 174.49 2egr s ARG 6 N 1.33 2.94 -0.11 4.97 3.52 -1.26 0.06 118.95 130.39 2egr s ARG 6 Ca 0.04 -0.50 -0.23 0.00 -0.13 0.00 0.00 55.73 54.92 2egr s ARG 6 Cb -0.15 -2.77 0.05 0.00 -1.56 0.00 0.00 34.95 30.53 2egr s ARG 6 CO 0.01 0.66 0.56 0.50 -0.81 0.00 0.00 175.30 176.23 2egr s ARG 7 N -1.36 0.82 -0.09 5.12 6.06 -0.43 -5.01 118.95 124.05 2egr s ARG 7 Ca 0.18 0.40 -0.01 0.00 -2.50 0.00 0.00 55.73 53.80 2egr s ARG 7 Cb -0.12 0.39 -0.03 0.00 0.06 0.00 0.00 34.95 35.25 2egr s ARG 7 CO 0.08 -0.19 -0.03 0.50 -2.50 0.00 0.00 175.30 173.16 2egr s ARG 8 N -0.58 3.02 0.09 5.12 3.52 -1.26 -0.55 118.95 128.32 2egr s ARG 8 Ca -0.07 -0.48 -0.31 0.00 -0.13 0.00 0.00 55.73 54.75 2egr s ARG 8 Cb -0.03 -2.74 -0.07 0.00 -1.56 0.00 0.00 34.95 30.54 2egr s ARG 8 CO 0.05 0.61 1.37 0.08 -0.81 0.00 0.00 175.30 176.60 2egr s VAL 9 N -0.63 3.44 0.18 7.11 1.01 -0.07 -4.95 120.40 126.49 2egr s VAL 9 Ca 0.10 1.01 -0.04 0.00 0.00 0.00 0.00 61.98 63.05 2egr s VAL 9 Cb -0.12 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2egr s VAL 9 CO 0.02 0.07 0.42 -1.10 0.00 0.00 0.00 175.10 174.51 2egr s GLN 10 N 1.27 3.62 0.25 2.72 -1.52 -1.26 -1.64 119.66 123.09 2egr s GLN 10 Ca 0.64 -0.09 -0.06 0.00 -1.95 0.00 0.00 55.36 53.90 2egr s GLN 10 Cb -0.35 -2.80 0.28 0.00 -0.22 0.00 0.00 33.01 29.92 2egr s GLN 10 CO 0.30 0.41 1.91 0.35 -0.25 0.00 0.00 175.29 178.01 2egr h PHE 11 N 2.49 1.21 0.00 0.91 3.57 -1.97 -0.98 116.94 122.17 2egr h PHE 11 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2egr h PHE 11 Cb 1.17 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.51 2egr h PHE 11 CO 0.60 0.73 0.00 2.48 -2.23 0.00 0.00 178.31 179.89 2egr n TYR 12 N -4.43 0.79 0.86 0.41 0.18 -1.26 -1.96 117.16 111.76 2egr n TYR 12 Ca 0.12 0.34 0.14 0.00 1.88 0.00 0.00 57.90 60.38 2egr n TYR 12 Cb 0.05 -1.05 0.53 0.00 -0.38 0.00 0.00 39.34 38.49 2egr n TYR 12 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2egr n GLU 13 N -2.25 0.10 -2.16 -3.48 1.02 -0.37 -4.87 120.64 108.62 2egr n GLU 13 Ca 0.01 0.08 -0.27 0.00 -0.02 0.00 0.00 57.16 56.96 2egr n GLU 13 Cb 0.16 -1.61 0.06 0.00 -0.02 0.00 0.00 31.44 30.04 2egr n GLU 13 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2egr s THR 14 N -3.04 2.52 0.24 2.62 -4.23 -0.83 -1.87 115.64 111.06 2egr s THR 14 Ca 0.13 -0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.53 2egr s THR 14 Cb 0.17 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.89 2egr s THR 14 CO 0.56 -0.11 0.10 -0.90 -0.54 0.00 0.00 174.62 173.72 2egr n ASP 15 N -2.94 0.94 0.19 3.99 5.68 -0.61 -4.70 116.55 119.11 2egr n ASP 15 Ca 0.07 -2.31 0.14 0.00 -0.50 0.00 0.00 54.79 52.19 2egr n ASP 15 Cb 0.60 0.67 0.68 0.00 -1.14 0.00 0.00 41.12 41.93 2egr n ASP 15 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2egr h ALA 16 N 1.43 1.00 0.00 2.12 0.00 -2.01 0.18 119.26 121.98 2egr h ALA 16 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2egr h ALA 16 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2egr h ALA 16 CO 0.29 0.00 0.00 0.94 0.00 0.00 0.00 179.25 180.48 2egr n GLN 17 N -2.46 0.07 -0.95 0.00 -0.06 -1.26 -4.89 117.38 107.84 2egr n GLN 17 Ca -0.01 0.28 0.00 0.00 -2.00 0.00 0.00 57.00 55.27 2egr n GLN 17 Cb 0.10 -1.62 0.00 0.00 -4.06 0.00 0.00 30.24 24.67 2egr n GLN 17 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2egr n GLY 18 N 0.17 0.43 3.33 1.69 0.00 0.61 -5.05 105.19 106.38 2egr n GLY 18 Ca 0.03 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 2egr n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2egr s ILE 19 N -2.00 1.46 0.09 -0.61 -4.36 -1.25 -4.53 121.20 109.99 2egr s ILE 19 Ca 0.00 -2.13 -0.31 0.00 -0.26 0.00 0.00 60.65 57.95 2egr s ILE 19 Cb 0.00 -2.10 -0.10 0.00 1.25 0.00 0.00 42.46 41.51 2egr s ILE 19 CO 0.00 -0.55 1.85 -0.69 0.24 0.00 0.00 174.94 175.79 2egr s VAL 20 N -3.15 2.76 0.34 8.37 1.01 0.13 -1.57 120.40 128.29 2egr s VAL 20 Ca 0.23 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 2egr s VAL 20 Cb 0.02 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.22 2egr s VAL 20 CO 0.06 -0.00 1.51 1.57 0.00 0.00 0.00 175.10 178.24 2egr n HIS 21 N 6.28 2.87 -0.07 5.22 -0.00 -0.78 -4.85 115.22 123.90 2egr n HIS 21 Ca 0.18 0.38 0.14 0.00 0.46 0.00 0.00 57.72 58.89 2egr n HIS 21 Cb 0.39 -2.55 0.54 0.00 -0.12 0.00 0.00 29.99 28.26 2egr n HIS 21 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2egr h HIS 22 N 3.62 0.34 0.00 1.57 2.07 -1.92 -0.76 115.15 120.07 2egr h HIS 22 Ca -0.49 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.01 2egr h HIS 22 Cb 1.24 -0.11 -0.00 0.00 2.57 0.00 0.00 27.41 31.11 2egr h HIS 22 CO 0.55 0.15 -0.14 0.66 -3.07 0.00 0.00 177.93 176.08 2egr h SER 23 N 0.31 0.00 1.15 3.10 4.64 -1.98 -2.62 113.55 118.14 2egr h SER 23 Ca 0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 2egr h SER 23 Cb 0.66 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2egr h SER 23 CO -0.07 0.14 -0.05 0.78 -0.87 0.00 0.00 176.83 176.77 2egr h ASN 24 N 0.00 0.00 -0.98 4.97 -0.26 -1.49 -2.97 115.58 114.86 2egr h ASN 24 Ca -0.00 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.78 2egr h ASN 24 Cb 0.29 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.49 2egr h ASN 24 CO 0.02 0.05 0.64 1.88 -1.06 0.00 0.00 177.43 178.95 2egr h TYR 25 N 0.00 1.19 0.00 1.19 0.05 -1.58 -0.70 116.97 117.12 2egr h TYR 25 Ca -0.00 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 2egr h TYR 25 Cb 0.63 -0.40 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 2egr h TYR 25 CO 0.00 0.68 -0.16 0.74 -1.05 0.00 0.00 178.16 178.37 2egr h PHE 26 N 1.22 0.00 -0.20 4.88 0.04 -1.70 -0.68 116.94 120.50 2egr h PHE 26 Ca 0.39 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 61.05 2egr h PHE 26 Cb 0.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 2egr h PHE 26 CO -0.01 0.16 -0.32 0.00 -0.60 0.00 0.00 178.31 177.55 2egr h ARG 27 N 0.00 0.57 -0.89 1.51 3.08 -1.27 -1.91 114.38 115.46 2egr h ARG 27 Ca -0.00 -0.34 0.07 0.00 0.07 0.00 0.00 59.98 59.78 2egr h ARG 27 Cb 0.30 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 2egr h ARG 27 CO 0.02 0.95 0.55 1.88 -1.07 0.00 0.00 179.97 182.30 2egr h TYR 28 N 0.24 1.01 -0.64 3.04 0.05 -0.62 -1.15 116.97 118.90 2egr h TYR 28 Ca 0.02 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 2egr h TYR 28 Cb 0.90 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 2egr h TYR 28 CO 0.09 0.49 0.09 0.74 -1.05 0.00 0.00 178.16 178.52 2egr h PHE 29 N 0.97 1.14 -0.44 4.88 0.04 -1.01 -0.89 116.94 121.62 2egr h PHE 29 Ca 0.40 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 61.01 2egr h PHE 29 Cb 0.23 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 2egr h PHE 29 CO -0.03 0.96 0.28 1.49 -0.60 0.00 0.00 178.31 180.41 2egr h GLU 30 N 1.00 0.59 -0.79 1.51 4.81 -0.93 -0.76 114.58 120.01 2egr h GLU 30 Ca 0.20 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 2egr h GLU 30 Cb 0.45 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 2egr h GLU 30 CO 0.01 0.42 0.48 0.93 -0.73 0.00 0.00 179.01 180.13 2egr h GLU 31 N 0.59 0.85 -0.59 1.92 5.08 -0.72 -1.23 114.58 120.48 2egr h GLU 31 Ca 0.16 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2egr h GLU 31 Cb -0.03 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 2egr h GLU 31 CO -0.03 0.56 0.27 0.00 -1.00 0.00 0.00 179.01 178.82 2egr h ALA 32 N 1.38 0.76 -0.83 3.43 0.00 -0.67 -0.78 119.26 122.54 2egr h ALA 32 Ca 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2egr h ALA 32 Cb 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2egr h ALA 32 CO -0.17 0.33 0.38 0.00 0.00 0.00 0.00 179.25 179.78 2egr h ARG 33 N 0.80 1.22 -0.42 0.00 3.08 -0.80 -0.09 114.38 118.16 2egr h ARG 33 Ca 0.20 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 2egr h ARG 33 Cb 0.13 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2egr h ARG 33 CO -0.02 0.95 0.00 0.78 -1.07 0.00 0.00 179.97 180.61 2egr h GLY 34 N 1.20 0.81 1.15 0.04 0.00 -0.79 -0.78 103.07 104.69 2egr h GLY 34 Ca 0.28 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 2egr h GLY 34 CO -0.03 0.55 0.06 0.83 0.00 0.00 0.00 176.54 177.94 2egr h GLU 35 N 0.59 1.03 -0.15 4.80 4.39 -0.95 -0.81 114.58 123.48 2egr h GLU 35 Ca 0.12 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.55 2egr h GLU 35 Cb 0.48 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2egr h GLU 35 CO 0.02 0.97 0.03 0.35 -1.16 0.00 0.00 179.01 179.23 2egr h PHE 36 N 0.96 0.06 -0.51 4.33 3.57 -0.68 -0.02 116.94 124.65 2egr h PHE 36 Ca 0.18 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 2egr h PHE 36 Cb 0.47 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2egr h PHE 36 CO 0.03 0.02 0.03 -0.07 -2.23 0.00 0.00 178.31 176.10 2egr h LEU 37 N 0.10 0.85 -0.78 0.59 3.38 -0.98 -2.65 115.31 115.82 2egr h LEU 37 Ca 0.07 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2egr h LEU 37 Cb 0.06 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2egr h LEU 37 CO -0.09 0.93 0.50 -0.09 0.09 0.00 0.00 178.44 179.79 2egr h ARG 38 N 0.75 0.96 -0.05 1.13 2.43 -0.96 -1.96 114.38 116.68 2egr h ARG 38 Ca 0.15 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2egr h ARG 38 Cb 0.47 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2egr h ARG 38 CO 0.02 0.63 0.05 0.66 -1.51 0.00 0.00 179.97 179.82 2egr h SER 39 N 0.98 0.00 -0.06 -3.80 4.64 -0.66 -0.90 113.55 113.76 2egr h SER 39 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2egr h SER 39 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2egr h SER 39 CO -0.10 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.15 2egr n LYS 40 N -4.16 1.56 -1.52 4.77 4.76 -0.78 -4.94 118.16 117.85 2egr n LYS 40 Ca -0.02 -0.82 -0.09 0.00 -2.87 0.00 0.00 58.31 54.52 2egr n LYS 40 Cb 0.15 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 2egr n LYS 40 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2egr n GLY 41 N 1.11 0.74 2.31 0.72 0.00 -0.34 -4.97 105.19 104.76 2egr n GLY 41 Ca 0.18 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 2egr n GLY 41 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2egr n PHE 42 N -3.12 -0.97 -1.27 1.61 -0.00 -0.96 -5.04 117.46 107.72 2egr n PHE 42 Ca -0.09 -3.20 -0.34 0.00 -0.00 0.00 0.00 57.45 53.82 2egr n PHE 42 Cb 0.37 0.05 0.11 0.00 -0.00 0.00 0.00 39.48 40.01 2egr n PHE 42 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2egr s PRO 43 N -0.85 1.87 0.38 -7.13 0.04 -1.24 -4.41 135.00 123.65 2egr s PRO 43 Ca 0.34 1.77 0.08 0.00 0.04 0.00 0.00 61.00 63.23 2egr s PRO 43 Cb 0.19 -1.80 0.83 0.00 0.04 0.00 0.00 34.50 33.76 2egr s PRO 43 CO -0.14 -2.04 1.96 -0.92 0.04 0.00 0.00 177.00 175.91 2egr h TYR 44 N -0.61 0.67 -0.79 0.56 3.20 -1.89 -0.61 116.97 117.50 2egr h TYR 44 Ca -0.47 0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.55 2egr h TYR 44 Cb 1.30 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.29 2egr h TYR 44 CO 0.47 0.34 0.52 0.66 -1.64 0.00 0.00 178.16 178.51 2egr h SER 45 N 0.65 0.52 -0.38 -2.11 4.64 -1.98 -0.15 113.55 114.73 2egr h SER 45 Ca 0.30 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.55 2egr h SER 45 Cb 0.35 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2egr h SER 45 CO -0.10 0.28 -0.16 0.11 -0.87 0.00 0.00 176.83 176.09 2egr h LYS 46 N 0.56 0.78 -0.99 4.77 1.79 -1.46 -2.04 116.57 119.98 2egr h LYS 46 Ca 0.38 -0.33 0.08 0.00 -2.18 0.00 0.00 60.65 58.61 2egr h LYS 46 Cb 0.70 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.26 2egr h LYS 46 CO -0.14 0.95 0.64 0.52 -1.08 0.00 0.00 179.45 180.33 2egr h MET 47 N 0.57 1.06 -0.75 3.15 2.86 -0.99 -1.39 114.93 119.46 2egr h MET 47 Ca 0.09 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2egr h MET 47 Cb 0.70 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 2egr h MET 47 CO 0.05 0.70 0.29 0.00 1.06 0.00 0.00 176.91 179.02 2egr h ARG 48 N 1.10 1.11 0.00 1.72 3.08 -0.78 -0.86 114.38 119.75 2egr h ARG 48 Ca 0.44 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2egr h ARG 48 Cb 0.27 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2egr h ARG 48 CO -0.19 0.91 0.00 -0.25 -1.07 0.00 0.00 179.97 179.36 2egr n ASP 49 N -4.28 0.00 -1.51 7.04 8.00 -0.57 -0.56 116.55 124.67 2egr n ASP 49 Ca 0.07 0.39 0.03 0.00 0.71 0.00 0.00 54.79 55.99 2egr n ASP 49 Cb 0.19 -0.44 0.31 0.00 -0.02 0.00 0.00 41.12 41.16 2egr n ASP 49 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2egr n MET 50 N -1.44 3.67 -1.57 -1.24 2.81 -0.38 -4.94 117.12 114.03 2egr n MET 50 Ca 0.04 -3.04 -0.15 0.00 -1.81 0.00 0.00 57.70 52.75 2egr n MET 50 Cb 0.13 -2.07 -0.05 0.00 -0.71 0.00 0.00 33.22 30.52 2egr n MET 50 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2egr n GLY 51 N -0.12 1.21 3.86 3.03 0.00 0.28 -4.98 105.19 108.48 2egr n GLY 51 Ca 0.29 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2egr n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2egr s LEU 52 N -3.46 4.11 -0.02 0.99 1.43 -0.88 -4.30 118.68 116.54 2egr s LEU 52 Ca 0.00 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2egr s LEU 52 Cb 0.00 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.49 2egr s LEU 52 CO 0.00 0.14 -0.08 -0.70 0.23 0.00 0.00 176.35 175.94 2egr s GLU 53 N -2.67 0.82 -0.24 1.70 2.12 -0.53 -3.90 118.70 116.00 2egr s GLU 53 Ca 0.33 -0.28 -0.14 0.00 0.36 0.00 0.00 54.97 55.24 2egr s GLU 53 Cb -0.12 -0.78 -0.04 0.00 0.26 0.00 0.00 34.13 33.45 2egr s GLU 53 CO 0.26 0.12 0.31 0.08 -0.54 0.00 0.00 175.26 175.49 2egr s VAL 54 N 0.11 5.24 -0.15 3.70 1.01 -1.26 -1.18 120.40 127.86 2egr s VAL 54 Ca -0.01 0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 2egr s VAL 54 Cb -0.07 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2egr s VAL 54 CO 0.00 0.24 -0.06 -0.69 0.00 0.00 0.00 175.10 174.59 2egr s VAL 55 N 1.55 3.65 -0.02 2.92 1.01 0.44 -4.96 120.40 125.00 2egr s VAL 55 Ca 0.14 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 2egr s VAL 55 Cb -0.15 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2egr s VAL 55 CO 0.08 0.50 0.94 -0.22 0.00 0.00 0.00 175.10 176.40 2egr s LEU 56 N 0.39 4.35 -0.21 3.92 2.96 -1.26 -1.10 118.68 127.73 2egr s LEU 56 Ca -0.06 1.57 -0.17 0.00 -0.22 0.00 0.00 54.13 55.26 2egr s LEU 56 Cb -0.15 -3.49 -0.19 0.00 0.50 0.00 0.00 46.19 42.86 2egr s LEU 56 CO 0.04 -0.25 0.12 0.18 -1.32 0.00 0.00 176.35 175.12 2egr n LEU 57 N 3.95 2.05 -3.53 -0.68 4.77 0.32 -4.96 117.00 118.93 2egr n LEU 57 Ca 0.05 0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 56.27 2egr n LEU 57 Cb 0.51 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 2egr n LEU 57 CO 0.51 0.45 0.35 0.54 -1.33 0.00 0.00 177.39 177.91 2egr s ASN 58 N -6.99 -0.45 -0.04 -1.43 2.20 -1.19 -5.00 114.94 102.05 2egr s ASN 58 Ca -0.30 -0.17 -0.14 0.00 -0.94 0.00 0.00 52.86 51.31 2egr s ASN 58 Cb 0.08 0.59 0.03 0.00 -2.00 0.00 0.00 41.25 39.94 2egr s ASN 58 CO 0.61 -0.99 0.32 0.00 -2.94 0.00 0.00 177.10 174.09 2egr s ALA 59 N -3.79 -0.81 -0.04 3.54 0.00 -1.26 -1.49 121.76 117.91 2egr s ALA 59 Ca 0.03 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.43 2egr s ALA 59 Cb -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2egr s ALA 59 CO -0.10 -0.24 0.13 -0.47 0.00 0.00 0.00 175.76 175.08 2egr s TYR 60 N -0.98 -0.12 -0.05 0.00 5.04 -0.48 -5.02 117.35 115.74 2egr s TYR 60 Ca -0.10 0.29 -0.04 0.00 -2.44 0.00 0.00 57.07 54.77 2egr s TYR 60 Cb -0.05 0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.32 2egr s TYR 60 CO 0.03 -0.09 0.14 0.00 -1.34 0.00 0.00 175.55 174.29 2egr s GLU 62 N 0.36 3.39 -0.27 0.00 2.12 0.19 -5.00 118.70 119.50 2egr s GLU 62 Ca -0.02 -0.66 -0.05 0.00 0.36 0.00 0.00 54.97 54.59 2egr s GLU 62 Cb -0.04 -2.76 0.01 0.00 0.26 0.00 0.00 34.13 31.60 2egr s GLU 62 CO -0.01 0.08 0.03 0.71 -0.54 0.00 0.00 175.26 175.52 2egr s TYR 63 N 0.71 3.09 -0.23 5.30 2.02 -1.26 -1.58 117.35 125.40 2egr s TYR 63 Ca -0.05 -1.03 -0.06 0.00 -0.37 0.00 0.00 57.07 55.56 2egr s TYR 63 Cb -0.15 -2.18 -0.12 0.00 -0.40 0.00 0.00 41.96 39.10 2egr s TYR 63 CO 0.02 -0.58 -0.26 1.63 -1.57 0.00 0.00 175.55 174.79 2egr n LYS 64 N 4.82 0.52 -4.05 -0.62 5.02 0.60 -5.00 118.16 119.45 2egr n LYS 64 Ca -0.16 0.18 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 2egr n LYS 64 Cb 0.49 -1.39 -0.12 0.00 -0.02 0.00 0.00 35.03 33.99 2egr n LYS 64 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2egr s LYS 65 N -2.44 0.45 0.67 1.97 -0.14 -0.61 -5.03 119.74 114.62 2egr s LYS 65 Ca -0.32 -0.65 -0.12 0.00 -1.36 0.00 0.00 55.97 53.52 2egr s LYS 65 Cb 0.10 -0.20 0.00 0.00 -1.68 0.00 0.00 37.83 36.05 2egr s LYS 65 CO 0.46 0.03 1.06 -1.25 -0.76 0.00 0.00 175.35 174.89 2egr s PRO 66 N -1.36 2.97 -0.01 -1.68 0.04 -1.26 -4.67 135.00 129.03 2egr s PRO 66 Ca -0.10 1.06 -0.00 0.00 0.04 0.00 0.00 61.00 62.00 2egr s PRO 66 Cb -0.09 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2egr s PRO 66 CO 0.00 -1.08 0.05 -0.51 0.04 0.00 0.00 177.00 175.50 2egr s LEU 67 N -5.26 3.75 0.34 -3.56 1.43 -1.26 -5.01 118.68 109.10 2egr s LEU 67 Ca 0.60 0.10 0.09 0.00 -1.03 0.00 0.00 54.13 53.89 2egr s LEU 67 Cb -0.15 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 2egr s LEU 67 CO 0.49 0.29 0.02 -0.36 0.23 0.00 0.00 176.35 177.02 2egr s PHE 68 N -1.13 2.56 0.12 0.29 0.08 -1.26 -0.69 117.98 117.95 2egr s PHE 68 Ca 0.21 -0.42 -0.35 0.00 0.12 0.00 0.00 56.93 56.48 2egr s PHE 68 Cb -0.12 -1.48 -0.16 0.00 -0.57 0.00 0.00 43.02 40.69 2egr s PHE 68 CO 0.11 0.48 1.35 0.98 -0.10 0.00 0.00 175.22 178.04 2egr n TYR 69 N -0.96 1.63 -0.93 0.36 9.36 -1.26 -1.28 117.16 124.07 2egr n TYR 69 Ca -0.04 0.58 0.00 0.00 3.32 0.00 0.00 57.90 61.75 2egr n TYR 69 Cb 0.62 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.97 2egr n TYR 69 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2egr n ASP 70 N 2.55 -0.47 -4.77 2.98 2.03 -0.65 -4.98 116.55 113.23 2egr n ASP 70 Ca 0.17 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.07 2egr n ASP 70 Cb 0.22 -0.48 -0.01 0.00 -0.72 0.00 0.00 41.12 40.14 2egr n ASP 70 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2egr s ASP 71 N -2.73 6.51 -0.09 1.67 1.01 -0.41 -4.63 116.67 118.00 2egr s ASP 71 Ca 0.00 2.88 -0.12 0.00 0.71 0.00 0.00 52.55 56.01 2egr s ASP 71 Cb 0.00 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 2egr s ASP 71 CO 0.00 -0.74 0.30 -0.69 0.21 0.00 0.00 175.17 174.25 2egr s VAL 72 N -1.14 5.26 0.21 -1.27 1.01 -1.26 -0.90 120.40 122.31 2egr s VAL 72 Ca 0.52 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 63.01 2egr s VAL 72 Cb -0.43 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2egr s VAL 72 CO 0.58 0.52 0.25 0.72 0.00 0.00 0.00 175.10 177.17 2egr s PHE 73 N -0.50 0.80 0.02 5.22 -0.12 0.29 -4.51 117.98 119.18 2egr s PHE 73 Ca 0.19 -1.09 0.05 0.00 -0.05 0.00 0.00 56.93 56.03 2egr s PHE 73 Cb -0.14 -0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 41.97 2egr s PHE 73 CO 0.07 -0.75 -0.16 -1.21 -0.05 0.00 0.00 175.22 173.12 2egr s GLU 74 N -4.09 1.17 -0.25 1.99 2.02 -0.49 -1.31 118.70 117.74 2egr s GLU 74 Ca 0.30 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.54 2egr s GLU 74 Cb 0.04 -1.18 0.02 0.00 0.10 0.00 0.00 34.13 33.10 2egr s GLU 74 CO 0.09 0.31 -0.03 0.08 0.02 0.00 0.00 175.26 175.73 2egr s VAL 75 N -0.65 3.19 -0.46 2.63 1.01 0.11 -0.48 120.40 125.74 2egr s VAL 75 Ca 0.05 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 2egr s VAL 75 Cb -0.07 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2egr s VAL 75 CO 0.01 0.21 0.69 -1.00 0.00 0.00 0.00 175.10 175.01 2egr s HIS 76 N 1.39 3.02 -0.17 5.22 3.76 -0.21 -0.25 115.29 128.05 2egr s HIS 76 Ca 0.02 -0.10 -0.10 0.00 -0.15 0.00 0.00 55.06 54.72 2egr s HIS 76 Cb -0.16 -3.50 -0.05 0.00 1.11 0.00 0.00 32.58 29.98 2egr s HIS 76 CO -0.03 -0.97 0.18 -1.17 -0.85 0.00 0.00 174.74 171.90 2egr s LEU 77 N 2.98 4.26 -0.03 0.89 0.20 0.27 -1.45 118.68 125.80 2egr s LEU 77 Ca 0.23 0.37 0.01 0.00 0.69 0.00 0.00 54.13 55.43 2egr s LEU 77 Cb -0.14 -2.16 0.01 0.00 -0.43 0.00 0.00 46.19 43.46 2egr s LEU 77 CO 0.18 0.22 -0.05 0.21 -0.29 0.00 0.00 176.35 176.62 2egr s ASN 78 N 0.04 0.81 -0.04 3.68 2.47 -0.37 -0.57 114.94 120.96 2egr s ASN 78 Ca 0.12 -0.11 -0.30 0.00 0.42 0.00 0.00 52.86 52.99 2egr s ASN 78 Cb -0.12 -0.31 -0.04 0.00 -1.45 0.00 0.00 41.25 39.33 2egr s ASN 78 CO 0.01 -0.02 1.26 -0.22 -3.72 0.00 0.00 177.10 174.41 2egr s LEU 79 N 0.58 4.29 -0.22 3.21 2.96 -1.26 -0.89 118.68 127.34 2egr s LEU 79 Ca -0.07 1.89 0.09 0.00 -0.22 0.00 0.00 54.13 55.82 2egr s LEU 79 Cb -0.11 -3.56 -0.21 0.00 0.50 0.00 0.00 46.19 42.81 2egr s LEU 79 CO -0.00 -0.62 -0.05 -0.62 -1.32 0.00 0.00 176.35 173.73 2egr n GLU 80 N 5.27 0.67 -3.76 1.98 -0.58 0.18 -4.92 120.64 119.48 2egr n GLU 80 Ca 0.12 0.08 -0.13 0.00 -0.42 0.00 0.00 57.16 56.81 2egr n GLU 80 Cb 0.45 -1.53 -0.10 0.00 -0.57 0.00 0.00 31.44 29.69 2egr n GLU 80 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2egr s GLU 81 N -2.51 0.44 -0.14 3.49 0.41 -1.06 -4.96 118.70 114.37 2egr s GLU 81 Ca -0.22 0.36 -0.04 0.00 -0.41 0.00 0.00 54.97 54.65 2egr s GLU 81 Cb 0.08 0.21 0.07 0.00 -1.78 0.00 0.00 34.13 32.70 2egr s GLU 81 CO 0.72 -0.07 0.22 -1.17 -0.49 0.00 0.00 175.26 174.46 2egr s LEU 82 N -0.07 -0.17 0.00 1.80 2.96 -1.26 -1.22 118.68 120.72 2egr s LEU 82 Ca -0.02 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2egr s LEU 82 Cb -0.03 0.47 -0.00 0.00 0.50 0.00 0.00 46.19 47.13 2egr s LEU 82 CO 0.01 -0.27 0.01 -1.54 -1.32 0.00 0.00 176.35 173.25 2egr n SER 83 N 5.33 1.56 -0.33 3.68 3.41 -0.23 -5.03 113.62 122.01 2egr n SER 83 Ca -0.05 -1.37 -0.02 0.00 -0.26 0.00 0.00 58.87 57.17 2egr n SER 83 Cb 0.50 0.12 0.13 0.00 -0.26 0.00 0.00 64.21 64.70 2egr n SER 83 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2egr h ARG 84 N 0.00 1.24 0.00 4.33 2.43 -2.01 -3.34 114.38 117.03 2egr h ARG 84 Ca -0.06 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 2egr h ARG 84 Cb 0.21 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2egr h ARG 84 CO 0.10 0.84 -1.24 1.19 -1.51 0.00 0.00 179.97 179.35 2egr n PHE 85 N -4.38 0.00 -4.32 2.20 3.72 -1.26 -0.90 117.46 112.52 2egr n PHE 85 Ca 0.11 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.33 2egr n PHE 85 Cb 0.04 -0.14 -0.10 0.00 -0.94 0.00 0.00 39.48 38.33 2egr n PHE 85 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2egr s THR 86 N -2.28 1.37 0.04 4.37 -4.23 -1.25 -3.93 115.64 109.73 2egr s THR 86 Ca -0.02 -2.11 -0.05 0.00 -1.18 0.00 0.00 61.69 58.33 2egr s THR 86 Cb 0.03 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 2egr s THR 86 CO 0.20 -0.53 0.09 0.72 -0.54 0.00 0.00 174.62 174.56 2egr s PHE 87 N -3.20 0.21 -0.08 3.99 -0.12 -0.60 -1.07 117.98 117.11 2egr s PHE 87 Ca 0.23 -0.51 0.01 0.00 -0.05 0.00 0.00 56.93 56.61 2egr s PHE 87 Cb 0.03 -0.15 0.02 0.00 -0.63 0.00 0.00 43.02 42.29 2egr s PHE 87 CO 0.06 -0.37 -0.10 0.99 -0.05 0.00 0.00 175.22 175.75 2egr s THR 88 N -2.64 1.07 0.02 -4.49 2.01 -0.36 -0.71 115.64 110.54 2egr s THR 88 Ca -0.05 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.57 2egr s THR 88 Cb -0.01 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2egr s THR 88 CO -0.05 0.35 0.06 -0.36 -0.69 0.00 0.00 174.62 173.94 2egr s PHE 89 N 1.02 3.21 0.25 4.92 0.08 -0.48 0.50 117.98 127.48 2egr s PHE 89 Ca -0.08 0.14 0.09 0.00 0.12 0.00 0.00 56.93 57.20 2egr s PHE 89 Cb -0.15 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 2egr s PHE 89 CO -0.01 0.52 -0.00 -1.54 -0.10 0.00 0.00 175.22 174.09 2egr s SER 90 N -1.88 4.59 -0.04 1.36 1.04 -0.07 -0.92 113.70 117.78 2egr s SER 90 Ca 0.24 -0.59 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 2egr s SER 90 Cb -0.12 -0.88 0.01 0.00 0.10 0.00 0.00 66.02 65.14 2egr s SER 90 CO 0.15 0.02 0.09 -0.31 0.98 0.00 0.00 173.24 174.18 2egr s TYR 91 N -2.18 -0.10 -0.08 5.02 2.02 0.66 -1.23 117.35 121.45 2egr s TYR 91 Ca 0.30 0.27 0.03 0.00 -0.37 0.00 0.00 57.07 57.30 2egr s TYR 91 Cb -0.07 -0.00 0.00 0.00 -0.40 0.00 0.00 41.96 41.49 2egr s TYR 91 CO 0.19 -0.07 -0.19 0.42 -1.57 0.00 0.00 175.55 174.34 2egr s ILE 92 N 0.28 1.68 -0.26 2.71 1.01 -0.53 -0.86 121.20 125.23 2egr s ILE 92 Ca -0.02 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 2egr s ILE 92 Cb -0.03 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 2egr s ILE 92 CO -0.01 0.48 0.16 -0.69 0.00 0.00 0.00 174.94 174.88 2egr s VAL 93 N 0.45 5.18 -0.07 2.92 1.01 0.03 -1.05 120.40 128.87 2egr s VAL 93 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2egr s VAL 93 Cb -0.17 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2egr s VAL 93 CO 0.07 0.30 -0.06 -0.36 0.00 0.00 0.00 175.10 175.04 2egr s PHE 94 N 1.49 2.95 -0.13 5.22 0.08 0.37 -0.31 117.98 127.64 2egr s PHE 94 Ca 0.07 0.00 0.01 0.00 0.12 0.00 0.00 56.93 57.13 2egr s PHE 94 Cb -0.15 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2egr s PHE 94 CO 0.08 0.31 -0.15 0.21 -0.10 0.00 0.00 175.22 175.57 2egr s LYS 95 N -0.74 2.27 5.56 0.44 2.20 0.07 -1.39 119.74 128.15 2egr s LYS 95 Ca 0.11 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 2egr s LYS 95 Cb -0.11 -2.01 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 2egr s LYS 95 CO 0.02 -0.16 0.00 0.39 -0.36 0.00 0.00 175.35 175.24 2egr n GLU 96 N 4.51 0.00 -0.75 4.03 1.02 -1.26 -1.43 120.64 126.76 2egr n GLU 96 Ca -0.18 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2egr n GLU 96 Cb 0.51 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 32.19 2egr n GLU 96 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2egr n ASP 97 N 4.81 3.87 -4.51 1.62 8.00 -1.26 -4.95 116.55 124.13 2egr n ASP 97 Ca 0.00 -3.29 -0.34 0.00 0.71 0.00 0.00 54.79 51.87 2egr n ASP 97 Cb 0.00 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 40.34 2egr n ASP 97 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2egr s ILE 98 N -3.00 4.02 -0.19 0.53 -1.09 -0.51 -5.07 121.20 115.89 2egr s ILE 98 Ca 0.48 -0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 58.30 2egr s ILE 98 Cb 0.40 -2.77 -0.02 0.00 -1.58 0.00 0.00 42.46 38.48 2egr s ILE 98 CO 0.08 0.49 1.37 0.00 -1.23 0.00 0.00 174.94 175.64 2egr s ALA 99 N 0.40 3.54 -0.10 9.38 0.00 -1.26 -0.75 121.76 132.97 2egr s ALA 99 Ca -0.03 0.44 0.19 0.00 0.00 0.00 0.00 51.96 52.56 2egr s ALA 99 Cb -0.14 -3.70 -0.28 0.00 0.00 0.00 0.00 23.12 19.00 2egr s ALA 99 CO 0.02 -1.43 0.29 0.28 0.00 0.00 0.00 175.76 174.92 2egr n VAL 100 N 5.70 0.56 -3.50 0.00 0.31 0.57 -4.66 118.33 117.31 2egr n VAL 100 Ca 0.15 -0.62 -0.14 0.00 -0.01 0.00 0.00 64.34 63.73 2egr n VAL 100 Cb 0.45 -0.19 -0.04 0.00 -0.91 0.00 0.00 33.84 33.15 2egr n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2egr s ALA 101 N -3.02 -1.76 0.01 3.52 0.00 -1.19 -0.29 121.76 119.03 2egr s ALA 101 Ca -0.08 1.10 0.02 0.00 0.00 0.00 0.00 51.96 52.99 2egr s ALA 101 Cb 0.10 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 2egr s ALA 101 CO 0.83 -0.51 -0.07 0.15 0.00 0.00 0.00 175.76 176.15 2egr s LYS 102 N -2.15 0.52 0.27 0.00 1.02 -0.61 -0.79 119.74 118.00 2egr s LYS 102 Ca -0.04 -0.38 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 2egr s LYS 102 Cb -0.00 -0.45 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 2egr s LYS 102 CO -0.00 0.12 0.50 0.00 -0.92 0.00 0.00 175.35 175.04 2egr s ALA 103 N -0.48 -0.12 0.02 5.17 0.00 -0.04 -0.64 121.76 125.67 2egr s ALA 103 Ca -0.01 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 50.79 2egr s ALA 103 Cb -0.04 1.06 0.04 0.00 0.00 0.00 0.00 23.12 24.18 2egr s ALA 103 CO 0.00 -0.85 0.45 0.54 0.00 0.00 0.00 175.76 175.90 2egr s ASN 104 N -3.05 -0.35 0.01 0.00 2.20 -0.66 -0.24 114.94 112.85 2egr s ASN 104 Ca 0.23 0.15 0.00 0.00 -0.94 0.00 0.00 52.86 52.30 2egr s ASN 104 Cb -0.01 0.43 -0.01 0.00 -2.00 0.00 0.00 41.25 39.66 2egr s ASN 104 CO 0.11 -0.63 -0.02 0.42 -2.94 0.00 0.00 177.10 174.04 2egr s THR 105 N -2.07 0.13 -0.03 0.54 -4.23 -0.10 -1.38 115.64 108.49 2egr s THR 105 Ca -0.08 -0.44 0.05 0.00 -1.18 0.00 0.00 61.69 60.05 2egr s THR 105 Cb -0.02 -0.19 -0.01 0.00 1.34 0.00 0.00 72.50 73.63 2egr s THR 105 CO 0.01 -0.20 -0.19 -0.75 -0.54 0.00 0.00 174.62 172.95 2egr s LYS 106 N -0.67 1.81 0.08 3.99 2.20 -0.55 -1.38 119.74 125.22 2egr s LYS 106 Ca -0.06 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 2egr s LYS 106 Cb -0.05 -1.63 -0.04 0.00 -1.51 0.00 0.00 37.83 34.60 2egr s LYS 106 CO -0.00 0.34 -0.07 -1.01 -0.36 0.00 0.00 175.35 174.25 2egr s HIS 107 N -0.21 0.81 0.36 4.03 3.76 0.12 0.12 115.29 124.28 2egr s HIS 107 Ca 0.01 -0.81 0.06 0.00 -0.15 0.00 0.00 55.06 54.17 2egr s HIS 107 Cb -0.10 -0.48 -0.03 0.00 1.11 0.00 0.00 32.58 33.08 2egr s HIS 107 CO 0.01 -0.14 0.22 0.00 -0.85 0.00 0.00 174.74 173.98 2egr s MET 109 N -3.56 1.40 0.15 0.00 -1.94 -1.25 -0.42 119.30 113.67 2egr s MET 109 Ca 0.34 -0.73 0.07 0.00 -1.71 0.00 0.00 55.69 53.66 2egr s MET 109 Cb 0.02 -1.40 -0.04 0.00 2.01 0.00 0.00 34.83 35.43 2egr s MET 109 CO 0.22 0.37 -0.16 0.14 -0.01 0.00 0.00 175.02 175.58 2egr s VAL 110 N -0.55 1.61 -0.17 -6.03 -7.23 -0.33 -1.18 120.40 106.52 2egr s VAL 110 Ca 0.07 -1.86 -0.10 0.00 -1.81 0.00 0.00 61.98 58.28 2egr s VAL 110 Cb -0.07 -1.74 0.06 0.00 0.56 0.00 0.00 36.38 35.18 2egr s VAL 110 CO 0.00 -0.38 0.41 -0.75 -0.31 0.00 0.00 175.10 174.07 2egr s LYS 111 N -2.82 0.39 -1.48 4.82 2.20 0.41 -1.45 119.74 121.82 2egr s LYS 111 Ca 0.14 0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 56.49 2egr s LYS 111 Cb -0.05 -0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 2egr s LYS 111 CO 0.05 -0.15 0.24 0.09 -0.36 0.00 0.00 175.35 175.22 2egr n ASN 112 N 4.14 -5.43 -0.39 1.43 5.03 -1.26 -1.74 115.26 117.04 2egr n ASN 112 Ca -0.23 -0.12 -0.05 0.00 0.87 0.00 0.00 54.58 55.05 2egr n ASN 112 Cb 0.55 -4.40 -0.02 0.00 -1.02 0.00 0.00 39.78 34.89 2egr n ASN 112 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2egr n GLY 113 N -1.20 0.64 3.34 7.41 0.00 -1.26 -5.00 105.19 109.11 2egr n GLY 113 Ca -0.17 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 2egr n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2egr s LYS 114 N -2.00 1.26 -0.02 1.61 1.02 -0.71 -5.11 119.74 115.80 2egr s LYS 114 Ca 0.00 -1.28 -0.30 0.00 0.02 0.00 0.00 55.97 54.41 2egr s LYS 114 Cb 0.00 -1.60 -0.05 0.00 -0.52 0.00 0.00 37.83 35.66 2egr s LYS 114 CO 0.00 0.37 1.32 0.42 -0.92 0.00 0.00 175.35 176.54 2egr s ILE 115 N -1.23 3.93 0.14 2.17 1.01 -1.26 -0.44 121.20 125.51 2egr s ILE 115 Ca 0.11 1.28 0.08 0.00 0.00 0.00 0.00 60.65 62.13 2egr s ILE 115 Cb -0.10 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2egr s ILE 115 CO 0.05 -0.00 -0.12 0.68 0.00 0.00 0.00 174.94 175.55 2egr s VAL 116 N 2.35 3.16 0.52 2.92 -7.23 -0.33 -4.90 120.40 116.89 2egr s VAL 116 Ca 0.61 -1.50 -0.23 0.00 -1.81 0.00 0.00 61.98 59.05 2egr s VAL 116 Cb -0.29 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 2egr s VAL 116 CO 0.25 0.01 1.38 -1.54 -0.31 0.00 0.00 175.10 174.89 2egr n SER 117 N 0.43 2.85 -4.66 4.85 3.41 -1.26 -4.43 113.62 114.81 2egr n SER 117 Ca -0.13 1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 59.07 2egr n SER 117 Cb 0.54 -1.59 -0.03 0.00 -0.26 0.00 0.00 64.21 62.87 2egr n SER 117 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2egr s ILE 118 N -1.26 3.44 0.54 -1.33 1.01 -0.08 -4.93 121.20 118.58 2egr s ILE 118 Ca 0.69 0.59 -0.20 0.00 0.00 0.00 0.00 60.65 61.72 2egr s ILE 118 Cb -0.42 -3.38 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 2egr s ILE 118 CO 0.51 -0.05 0.94 -2.65 0.00 0.00 0.00 174.94 173.69 2egr n PRO 119 N 6.97 1.03 -0.25 2.79 -0.02 -1.26 -4.67 135.00 139.60 2egr n PRO 119 Ca 0.17 0.39 0.06 0.00 -2.02 0.00 0.00 63.50 62.10 2egr n PRO 119 Cb 0.42 -2.08 0.30 0.00 -0.02 0.00 0.00 33.50 32.12 2egr n PRO 119 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2egr h LYS 120 N 0.84 0.85 -0.34 -0.52 6.56 -1.99 0.97 116.57 122.94 2egr h LYS 120 Ca -0.47 -0.05 -0.05 0.00 -1.06 0.00 0.00 60.65 59.02 2egr h LYS 120 Cb 1.36 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 32.81 2egr h LYS 120 CO 0.52 0.57 0.01 1.05 -2.06 0.00 0.00 179.45 179.54 2egr h GLU 121 N 0.88 0.52 0.04 3.15 4.11 -2.00 -1.27 114.58 120.01 2egr h GLU 121 Ca 0.37 -0.11 -0.12 0.00 0.07 0.00 0.00 59.36 59.57 2egr h GLU 121 Cb 0.29 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2egr h GLU 121 CO -0.14 0.54 -0.49 0.28 0.07 0.00 0.00 179.01 179.27 2egr h VAL 122 N 0.50 1.52 -0.98 -1.06 2.07 -1.54 -3.25 116.25 113.51 2egr h VAL 122 Ca 0.11 -2.18 0.18 0.00 0.82 0.00 0.00 66.70 65.62 2egr h VAL 122 Cb 0.31 2.89 -0.10 0.00 -1.52 0.00 0.00 31.29 32.86 2egr h VAL 122 CO 0.01 0.61 0.58 -0.07 0.02 0.00 0.00 177.57 178.72 2egr h LEU 123 N -0.39 0.75 -1.09 2.57 3.38 -0.72 -1.97 115.31 117.85 2egr h LEU 123 Ca -0.07 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2egr h LEU 123 Cb 1.27 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 2egr h LEU 123 CO 0.09 0.28 0.62 -0.33 0.09 0.00 0.00 178.44 179.19 2egr h GLU 124 N 0.76 0.96 0.00 1.13 5.08 -1.27 -1.20 114.58 120.03 2egr h GLU 124 Ca 0.56 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.71 2egr h GLU 124 Cb 0.83 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2egr h GLU 124 CO -0.37 0.63 -1.24 -0.39 -1.00 0.00 0.00 179.01 176.64 2egr h VAL 125 N 0.99 0.54 -0.23 3.13 -1.51 -1.42 -3.34 116.25 114.41 2egr h VAL 125 Ca 0.45 -1.99 -0.13 0.00 -1.23 0.00 0.00 66.70 63.80 2egr h VAL 125 Cb 0.40 2.08 -0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2egr h VAL 125 CO -0.21 0.31 -0.37 -0.07 -1.23 0.00 0.00 177.57 176.00 2egr h LEU 126 N 0.00 0.73 0.00 4.19 3.38 -1.09 -3.49 115.31 119.04 2egr h LEU 126 Ca -0.13 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2egr h LEU 126 Cb 1.53 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2egr h LEU 126 CO 0.05 1.11 0.00 2.29 0.09 0.00 0.00 178.44 181.98