#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oun s PRO 5 N 0.00 2.06 0.28 1.97 0.04 -1.26 -4.76 135.00 133.33 1oun s PRO 5 Ca 0.00 1.79 0.03 0.00 0.04 0.00 0.00 61.00 62.86 1oun s PRO 5 Cb 0.00 -1.82 0.67 0.00 0.04 0.00 0.00 34.50 33.39 1oun s PRO 5 CO 0.00 -1.91 1.74 0.97 0.04 0.00 0.00 177.00 177.84 1oun h ILE 6 N -0.35 0.62 -0.11 0.56 2.10 -2.04 -1.18 117.51 117.11 1oun h ILE 6 Ca -0.48 -0.20 -0.09 0.00 1.08 0.00 0.00 64.86 65.17 1oun h ILE 6 Cb 1.30 -0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.02 1oun h ILE 6 CO 0.49 0.10 -0.35 4.11 -1.08 0.00 0.00 178.15 181.42 1oun h TRP 7 N 0.57 0.25 -0.28 2.19 0.09 -1.97 -2.40 115.95 114.40 1oun h TRP 7 Ca 0.53 -0.06 -0.17 0.00 0.09 0.00 0.00 58.89 59.29 1oun h TRP 7 Cb 0.89 -0.06 -0.00 0.00 0.08 0.00 0.00 29.16 30.07 1oun h TRP 7 CO -0.08 0.55 -0.49 0.93 0.09 0.00 0.00 178.44 179.44 1oun h GLU 8 N 0.19 0.77 -0.39 0.12 5.08 -1.58 -1.00 114.58 117.77 1oun h GLU 8 Ca 0.02 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1oun h GLU 8 Cb 0.72 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1oun h GLU 8 CO 0.05 1.08 0.25 1.96 -1.00 0.00 0.00 179.01 181.36 1oun h GLN 9 N 0.61 0.50 -0.13 2.33 4.20 -0.91 -1.21 115.11 120.51 1oun h GLN 9 Ca 0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1oun h GLN 9 Cb 1.06 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 1oun h GLN 9 CO 0.10 0.33 0.02 0.82 -0.67 0.00 0.00 178.83 179.44 1oun h ILE 10 N 0.52 1.22 -0.13 2.54 2.04 -1.41 -2.57 117.51 119.73 1oun h ILE 10 Ca 0.14 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.32 1oun h ILE 10 Cb -0.06 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1oun h ILE 10 CO -0.03 0.20 0.02 1.23 0.00 0.00 0.00 178.15 179.57 1oun h GLY 11 N -0.02 0.13 0.56 5.37 0.00 -1.07 -0.75 103.07 107.29 1oun h GLY 11 Ca 0.04 -0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.42 1oun h GLY 11 CO 0.00 -0.01 0.12 1.76 0.00 0.00 0.00 176.54 178.42 1oun h SER 12 N 0.07 0.09 -0.66 0.19 0.02 -1.24 -1.34 113.55 110.67 1oun h SER 12 Ca 0.06 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1oun h SER 12 Cb 0.06 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1oun h SER 12 CO -0.08 0.09 0.30 0.28 -1.14 0.00 0.00 176.83 176.27 1oun h SER 13 N 0.27 0.88 -0.47 3.07 0.02 -1.19 -1.13 113.55 115.00 1oun h SER 13 Ca 0.20 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1oun h SER 13 Cb 0.21 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1oun h SER 13 CO -0.23 0.79 0.25 0.15 -1.14 0.00 0.00 176.83 176.65 1oun h PHE 14 N 0.92 0.65 -0.50 3.45 3.04 -0.54 0.74 116.94 124.71 1oun h PHE 14 Ca 0.22 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.12 1oun h PHE 14 Cb 0.16 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.44 1oun h PHE 14 CO 0.01 0.50 0.17 -0.84 -2.02 0.00 0.00 178.31 176.13 1oun h ILE 15 N 0.62 1.22 -0.63 1.41 3.07 -1.11 0.46 117.51 122.54 1oun h ILE 15 Ca 0.16 -0.73 0.10 0.00 1.55 0.00 0.00 64.86 65.94 1oun h ILE 15 Cb 0.07 0.77 -0.07 0.00 -0.27 0.00 0.00 36.82 37.32 1oun h ILE 15 CO -0.02 0.27 0.24 -0.61 -1.05 0.00 0.00 178.15 176.98 1oun h GLN 16 N 0.67 0.42 -0.01 0.16 4.15 -0.97 0.42 115.11 119.94 1oun h GLN 16 Ca 0.16 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 1oun h GLN 16 Cb 0.25 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1oun h GLN 16 CO -0.01 0.27 0.01 1.25 -1.93 0.00 0.00 178.83 178.42 1oun h HIS 17 N 0.43 0.01 0.10 3.99 2.76 0.00 -1.88 115.15 120.55 1oun h HIS 17 Ca 0.32 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.50 1oun h HIS 17 Cb 0.40 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 1oun h HIS 17 CO -0.16 0.10 -0.15 -0.92 -1.30 0.00 0.00 177.93 175.50 1oun h TYR 18 N -0.08 -0.38 0.00 5.26 5.03 0.47 -2.09 116.97 125.19 1oun h TYR 18 Ca 0.00 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.23 1oun h TYR 18 Cb 0.09 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1oun h TYR 18 CO -0.05 -0.22 -0.41 1.88 -1.32 0.00 0.00 178.16 178.04 1oun h TYR 19 N -0.29 0.00 -0.44 -3.82 0.05 -0.91 0.19 116.97 111.75 1oun h TYR 19 Ca 0.02 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 1oun h TYR 19 Cb 0.30 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1oun h TYR 19 CO -0.16 0.41 0.16 0.37 -1.05 0.00 0.00 178.16 177.89 1oun h GLN 20 N 0.00 0.67 -0.04 4.88 4.15 -1.16 0.09 115.11 123.69 1oun h GLN 20 Ca -0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1oun h GLN 20 Cb 0.79 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 1oun h GLN 20 CO 0.05 0.63 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.51 1oun h LEU 21 N 0.57 0.08 -0.55 -2.39 3.38 -1.14 -1.13 115.31 114.12 1oun h LEU 21 Ca 0.14 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 57.89 1oun h LEU 21 Cb 0.22 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 1oun h LEU 21 CO -0.01 0.39 0.01 0.15 0.09 0.00 0.00 178.44 179.07 1oun h PHE 22 N -0.24 -0.03 0.00 1.13 3.04 -0.78 0.22 116.94 120.29 1oun h PHE 22 Ca 0.01 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 1oun h PHE 22 Cb 0.35 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.96 1oun h PHE 22 CO 0.04 -0.13 -0.01 -0.44 -2.02 0.00 0.00 178.31 175.75 1oun h ASP 23 N 0.12 0.00 0.00 0.41 3.32 -0.96 -3.38 116.42 115.93 1oun h ASP 23 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1oun h ASP 23 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1oun h ASP 23 CO -0.46 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 177.66 1oun n ASN 24 N -3.10 0.00 -3.95 6.45 3.02 -0.43 -4.68 115.26 112.57 1oun n ASN 24 Ca 0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.27 1oun n ASN 24 Cb 0.44 -0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 39.39 1oun n ASN 24 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1oun s ASP 25 N -1.95 4.70 0.00 6.41 -1.08 -0.01 -4.94 116.67 119.80 1oun s ASP 25 Ca 0.00 -3.39 0.07 0.00 -0.52 0.00 0.00 52.55 48.71 1oun s ASP 25 Cb 0.00 -1.67 0.28 0.00 -1.46 0.00 0.00 42.92 40.07 1oun s ASP 25 CO 0.00 -0.18 1.19 -2.11 0.52 0.00 0.00 175.17 174.59 1oun n ARG 26 N 2.63 0.01 0.00 4.34 1.85 -1.09 -1.37 116.66 123.03 1oun n ARG 26 Ca 0.12 0.37 0.14 0.00 -1.00 0.00 0.00 57.85 57.49 1oun n ARG 26 Cb 0.34 -1.50 0.63 0.00 -1.05 0.00 0.00 32.46 30.88 1oun n ARG 26 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1oun n THR 27 N -1.48 0.00 0.60 8.89 -2.24 -1.26 -3.02 114.28 115.77 1oun n THR 27 Ca 0.02 -0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.87 1oun n THR 27 Cb 0.07 -0.19 0.16 0.00 -2.10 0.00 0.00 70.33 68.27 1oun n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oun n GLN 28 N -1.09 2.35 0.30 -0.78 6.02 -0.47 -4.46 117.38 119.25 1oun n GLN 28 Ca 0.14 -2.08 0.18 0.00 -0.01 0.00 0.00 57.00 55.23 1oun n GLN 28 Cb 0.27 -1.47 0.91 0.00 1.02 0.00 0.00 30.24 30.97 1oun n GLN 28 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1oun h LEU 29 N 4.44 0.00 -1.98 1.08 3.38 -1.67 -2.88 115.31 117.67 1oun h LEU 29 Ca 0.00 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.19 1oun h LEU 29 Cb 0.97 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1oun h LEU 29 CO 0.00 0.03 0.57 1.23 0.09 0.00 0.00 178.44 180.36 1oun h GLY 30 N 0.92 0.00 1.58 0.83 0.00 -1.85 -0.39 103.07 104.16 1oun h GLY 30 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1oun h GLY 30 CO 0.00 0.00 0.19 0.00 0.00 0.00 0.00 176.54 176.73 1oun h ALA 31 N 1.57 1.41 -0.36 3.60 0.00 -1.87 -1.90 119.26 121.71 1oun h ALA 31 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1oun h ALA 31 Cb 1.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1oun h ALA 31 CO -0.00 -0.23 0.00 0.44 0.00 0.00 0.00 179.25 179.46 1oun n ILE 32 N -3.27 1.25 -4.45 0.00 -6.64 -0.15 -4.98 119.36 101.12 1oun n ILE 32 Ca -0.01 -1.16 -0.27 0.00 -1.77 0.00 0.00 62.75 59.54 1oun n ILE 32 Cb 0.27 0.36 -0.10 0.00 -1.44 0.00 0.00 39.64 38.73 1oun n ILE 32 CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 1oun s TYR 33 N -1.35 2.52 0.35 4.28 2.02 -0.71 -0.77 117.35 123.69 1oun s TYR 33 Ca 0.28 -0.65 0.09 0.00 -0.37 0.00 0.00 57.07 56.42 1oun s TYR 33 Cb 0.17 -1.84 -0.06 0.00 -0.40 0.00 0.00 41.96 39.83 1oun s TYR 33 CO 0.15 0.34 -0.07 0.96 -1.57 0.00 0.00 175.55 175.37 1oun s ILE 34 N -2.68 2.29 0.40 2.71 -4.36 -1.26 -4.89 121.20 113.42 1oun s ILE 34 Ca 0.36 -2.15 0.13 0.00 -0.26 0.00 0.00 60.65 58.73 1oun s ILE 34 Cb 0.07 -2.70 0.34 0.00 1.25 0.00 0.00 42.46 41.42 1oun s ILE 34 CO 0.19 -0.18 1.91 0.44 0.24 0.00 0.00 174.94 177.54 1oun h ASP 35 N 1.96 0.49 -0.64 4.36 5.19 -1.97 -1.59 116.42 124.22 1oun h ASP 35 Ca -0.42 0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 55.84 1oun h ASP 35 Cb 1.25 -0.07 -0.10 0.00 0.18 0.00 0.00 39.33 40.58 1oun h ASP 35 CO 0.71 0.26 0.22 0.00 -3.12 0.00 0.00 179.24 177.31 1oun n ALA 36 N -2.49 4.28 -1.26 3.45 0.00 -1.26 -1.81 120.51 121.42 1oun n ALA 36 Ca 0.15 -1.98 -0.32 0.00 0.00 0.00 0.00 53.44 51.28 1oun n ALA 36 Cb 0.47 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.79 1oun n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1oun s SER 37 N -0.79 4.36 -0.04 0.00 0.01 -0.60 -4.73 113.70 111.91 1oun s SER 37 Ca 0.48 2.04 0.03 0.00 1.31 0.00 0.00 55.95 59.81 1oun s SER 37 Cb 0.38 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1oun s SER 37 CO 0.12 -2.14 -0.12 0.00 0.41 0.00 0.00 173.24 171.51 1oun s LEU 39 N 0.27 1.73 -0.27 0.00 2.96 -0.17 -1.13 118.68 122.07 1oun s LEU 39 Ca -0.06 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1oun s LEU 39 Cb -0.11 -0.89 0.05 0.00 0.50 0.00 0.00 46.19 45.74 1oun s LEU 39 CO 0.02 0.06 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.15 1oun s THR 40 N 0.52 2.56 -0.33 3.68 2.01 -0.01 -0.13 115.64 123.93 1oun s THR 40 Ca -0.13 -1.41 -0.04 0.00 0.31 0.00 0.00 61.69 60.42 1oun s THR 40 Cb -0.15 -2.44 0.06 0.00 0.01 0.00 0.00 72.50 69.98 1oun s THR 40 CO 0.04 0.01 0.07 0.86 -0.69 0.00 0.00 174.62 174.91 1oun s TRP 41 N 1.20 3.31 -1.38 4.92 -0.11 0.26 -0.78 118.94 126.36 1oun s TRP 41 Ca -0.05 -1.78 -0.07 0.00 1.22 0.00 0.00 56.10 55.42 1oun s TRP 41 Cb -0.19 -2.35 0.03 0.00 -1.50 0.00 0.00 33.47 29.46 1oun s TRP 41 CO -0.04 -0.80 0.97 0.39 -4.62 0.00 0.00 176.95 172.85 1oun n GLU 42 N 4.70 -6.19 -0.54 5.86 -0.58 -0.10 -1.12 120.64 122.67 1oun n GLU 42 Ca -0.11 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 1oun n GLU 42 Cb 0.43 -5.58 0.00 0.00 -0.57 0.00 0.00 31.44 25.73 1oun n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oun n GLY 43 N -1.66 1.72 3.54 0.62 0.00 -1.26 -5.02 105.19 103.13 1oun n GLY 43 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1oun n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1oun s GLN 44 N -0.07 3.27 -0.04 1.61 0.74 -0.27 -5.08 119.66 119.81 1oun s GLN 44 Ca 0.00 -0.53 -0.21 0.00 0.05 0.00 0.00 55.36 54.67 1oun s GLN 44 Cb 0.00 -2.77 -0.05 0.00 1.10 0.00 0.00 33.01 31.29 1oun s GLN 44 CO 0.00 0.43 0.59 -1.14 -0.55 0.00 0.00 175.29 174.63 1oun s GLN 45 N -0.17 4.35 -0.23 1.67 0.74 -1.26 -0.57 119.66 124.19 1oun s GLN 45 Ca 0.03 0.70 0.01 0.00 0.05 0.00 0.00 55.36 56.15 1oun s GLN 45 Cb -0.13 -3.39 0.05 0.00 1.10 0.00 0.00 33.01 30.65 1oun s GLN 45 CO 0.03 0.25 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.87 1oun s PHE 46 N 0.21 2.63 -0.22 1.67 0.40 0.81 -5.00 117.98 118.49 1oun s PHE 46 Ca 0.31 -1.83 -0.07 0.00 -0.60 0.00 0.00 56.93 54.74 1oun s PHE 46 Cb -0.17 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1oun s PHE 46 CO 0.16 -0.79 0.07 -0.65 0.70 0.00 0.00 175.22 174.71 1oun s GLN 47 N 1.32 3.81 0.00 0.44 -0.21 -1.26 -1.00 119.66 122.76 1oun s GLN 47 Ca -0.05 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 54.92 1oun s GLN 47 Cb -0.18 -3.28 0.00 0.00 1.00 0.00 0.00 33.01 30.55 1oun s GLN 47 CO -0.07 0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.54 1oun n GLY 48 N 4.27 -0.08 0.38 3.09 0.00 -0.24 -4.30 105.19 108.30 1oun n GLY 48 Ca -0.16 -1.56 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 1oun n GLY 48 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1oun h LYS 49 N 0.00 -0.19 -0.71 1.61 3.64 -1.46 -0.89 116.57 118.57 1oun h LYS 49 Ca 0.00 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1oun h LYS 49 Cb 0.00 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 1oun h LYS 49 CO 0.00 -0.12 0.34 0.00 -2.27 0.00 0.00 179.45 177.40 1oun h ALA 50 N 0.78 0.99 -0.28 5.00 0.00 -1.87 0.34 119.26 124.23 1oun h ALA 50 Ca 0.21 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 1oun h ALA 50 Cb 0.56 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1oun h ALA 50 CO -0.70 -0.08 -0.47 0.00 0.00 0.00 0.00 179.25 178.00 1oun h ALA 51 N 1.45 0.65 0.57 0.00 0.00 -1.53 -2.65 119.26 117.75 1oun h ALA 51 Ca 0.36 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1oun h ALA 51 Cb 0.41 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1oun h ALA 51 CO -0.29 0.67 -0.27 0.82 0.00 0.00 0.00 179.25 180.18 1oun h ILE 52 N 0.58 0.38 -0.94 0.00 2.04 -0.29 -2.35 117.51 116.92 1oun h ILE 52 Ca 0.03 -0.24 0.12 0.00 1.00 0.00 0.00 64.86 65.76 1oun h ILE 52 Cb 1.03 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 1oun h ILE 52 CO 0.10 0.03 0.57 0.58 0.00 0.00 0.00 178.15 179.43 1oun h VAL 53 N -0.93 0.90 -0.43 1.67 2.07 -0.40 -1.83 116.25 117.29 1oun h VAL 53 Ca -0.08 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1oun h VAL 53 Cb 0.64 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1oun h VAL 53 CO 0.13 0.17 0.17 -0.08 0.02 0.00 0.00 177.57 177.98 1oun h GLU 54 N 0.91 0.64 0.01 1.57 4.57 -1.41 0.74 114.58 121.61 1oun h GLU 54 Ca 0.47 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 58.56 1oun h GLU 54 Cb 0.47 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 1oun h GLU 54 CO -0.27 0.59 -0.15 -0.22 -1.18 0.00 0.00 179.01 177.78 1oun h LYS 55 N 0.55 -0.25 -0.13 1.92 1.63 -0.84 0.67 116.57 120.12 1oun h LYS 55 Ca 0.14 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1oun h LYS 55 Cb 0.19 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1oun h LYS 55 CO -0.01 -0.17 0.01 -0.07 -3.45 0.00 0.00 179.45 175.76 1oun h LEU 56 N -0.26 0.22 -1.55 5.20 3.38 -1.24 -2.91 115.31 118.16 1oun h LEU 56 Ca 0.05 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1oun h LEU 56 Cb 0.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1oun h LEU 56 CO -0.14 0.45 -0.11 0.28 0.09 0.00 0.00 178.44 179.01 1oun h SER 57 N -0.02 0.15 0.39 -0.43 0.02 -0.77 -2.80 113.55 110.09 1oun h SER 57 Ca 0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1oun h SER 57 Cb 0.33 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1oun h SER 57 CO 0.00 0.28 -0.04 -1.54 -1.14 0.00 0.00 176.83 174.39 1oun n SER 58 N -4.33 0.18 -4.69 3.07 3.41 0.22 -4.90 113.62 106.58 1oun n SER 58 Ca -0.01 -0.46 -0.44 0.00 -0.26 0.00 0.00 58.87 57.70 1oun n SER 58 Cb 0.23 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1oun n SER 58 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1oun n LEU 59 N -1.10 3.43 0.00 1.04 4.77 -1.06 -4.85 117.00 119.23 1oun n LEU 59 Ca 0.16 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.30 1oun n LEU 59 Cb 0.23 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 1oun n LEU 59 CO 0.22 -0.39 0.45 -0.81 -1.33 0.00 0.00 177.39 175.53 1oun n PRO 60 N 1.60 0.00 -3.08 3.23 -0.04 -1.26 -4.79 135.00 130.65 1oun n PRO 60 Ca 0.09 0.39 -0.19 0.00 -0.04 0.00 0.00 63.50 63.75 1oun n PRO 60 Cb 0.34 -1.52 0.01 0.00 -0.04 0.00 0.00 33.50 32.29 1oun n PRO 60 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1oun s PHE 61 N -2.76 2.95 -0.19 0.54 -0.12 -1.26 -5.03 117.98 112.10 1oun s PHE 61 Ca 0.00 -0.22 -0.03 0.00 -0.05 0.00 0.00 56.93 56.62 1oun s PHE 61 Cb 0.00 -2.32 -0.10 0.00 -0.63 0.00 0.00 43.02 39.96 1oun s PHE 61 CO 0.00 -0.37 -0.20 1.04 -0.05 0.00 0.00 175.22 175.64 1oun n GLN 62 N -1.89 0.44 -4.91 1.99 6.02 -1.26 -4.97 117.38 112.79 1oun n GLN 62 Ca 0.05 0.14 -0.33 0.00 -0.01 0.00 0.00 57.00 56.85 1oun n GLN 62 Cb 0.59 -1.29 -0.14 0.00 1.02 0.00 0.00 30.24 30.41 1oun n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1oun s LYS 63 N -2.36 3.02 0.00 -1.09 -0.14 -1.26 -5.01 119.74 112.90 1oun s LYS 63 Ca -0.26 -0.73 -0.01 0.00 -1.36 0.00 0.00 55.97 53.61 1oun s LYS 63 Cb 0.08 -2.48 -0.01 0.00 -1.68 0.00 0.00 37.83 33.75 1oun s LYS 63 CO 0.39 0.34 0.02 -1.50 -0.76 0.00 0.00 175.35 173.84 1oun s ILE 64 N -0.00 0.05 -0.02 2.17 2.07 -1.26 0.10 121.20 124.31 1oun s ILE 64 Ca -0.05 -0.43 -0.01 0.00 -1.41 0.00 0.00 60.65 58.76 1oun s ILE 64 Cb -0.14 -0.18 0.02 0.00 0.13 0.00 0.00 42.46 42.29 1oun s ILE 64 CO 0.04 -0.23 0.05 -1.58 -1.91 0.00 0.00 174.94 171.31 1oun s GLN 65 N -0.70 0.01 0.14 3.50 0.74 -0.18 -4.58 119.66 118.58 1oun s GLN 65 Ca -0.08 0.15 0.07 0.00 0.05 0.00 0.00 55.36 55.56 1oun s GLN 65 Cb -0.05 -0.13 -0.04 0.00 1.10 0.00 0.00 33.01 33.90 1oun s GLN 65 CO -0.00 -0.10 -0.07 -1.01 -0.55 0.00 0.00 175.29 173.56 1oun s HIS 66 N 0.64 2.75 -0.02 1.67 3.76 -1.26 -0.65 115.29 122.17 1oun s HIS 66 Ca -0.05 -0.16 -0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1oun s HIS 66 Cb -0.07 -1.39 0.03 0.00 1.11 0.00 0.00 32.58 32.25 1oun s HIS 66 CO -0.02 0.47 0.04 0.45 -0.85 0.00 0.00 174.74 174.83 1oun s SER 67 N -2.54 0.04 -0.21 1.40 0.15 0.16 -4.98 113.70 107.72 1oun s SER 67 Ca 0.24 0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.81 1oun s SER 67 Cb -0.10 -0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1oun s SER 67 CO 0.15 -0.11 0.34 -0.63 1.20 0.00 0.00 173.24 174.19 1oun s ILE 68 N 0.93 5.24 -0.08 6.45 1.01 -1.26 -0.76 121.20 132.73 1oun s ILE 68 Ca -0.08 0.57 0.03 0.00 0.00 0.00 0.00 60.65 61.16 1oun s ILE 68 Cb -0.11 -3.67 -0.25 0.00 0.01 0.00 0.00 42.46 38.44 1oun s ILE 68 CO -0.03 0.27 0.53 0.74 0.00 0.00 0.00 174.94 176.45 1oun h THR 69 N 5.05 0.75 -2.40 2.92 2.02 -1.01 -3.48 112.91 116.76 1oun h THR 69 Ca -0.36 -2.53 -0.08 0.00 0.77 0.00 0.00 66.41 64.20 1oun h THR 69 Cb 1.16 2.48 -0.20 0.00 -1.74 0.00 0.00 68.15 69.85 1oun h THR 69 CO 0.70 0.70 -0.01 0.00 0.37 0.00 0.00 175.52 177.28 1oun s ALA 70 N -2.58 -1.39 -0.09 6.16 0.00 -0.97 -5.00 121.76 117.90 1oun s ALA 70 Ca -0.13 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 1oun s ALA 70 Cb 0.07 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.94 1oun s ALA 70 CO 0.80 -0.31 0.18 1.14 0.00 0.00 0.00 175.76 177.57 1oun s GLN 71 N -0.72 0.08 -0.00 0.00 -2.07 -1.26 -1.36 119.66 114.33 1oun s GLN 71 Ca -0.08 0.54 0.08 0.00 -1.82 0.00 0.00 55.36 54.07 1oun s GLN 71 Cb -0.03 -0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 31.67 1oun s GLN 71 CO 0.05 -0.26 -0.24 -0.51 -1.32 0.00 0.00 175.29 173.02 1oun s ASP 72 N 1.93 3.29 0.01 12.60 1.01 -0.45 -4.98 116.67 130.09 1oun s ASP 72 Ca -0.01 -0.46 0.02 0.00 0.71 0.00 0.00 52.55 52.81 1oun s ASP 72 Cb -0.12 -0.42 -0.01 0.00 1.01 0.00 0.00 42.92 43.38 1oun s ASP 72 CO -0.06 0.30 -0.08 -1.00 0.21 0.00 0.00 175.17 174.54 1oun s HIS 73 N -0.71 0.67 0.00 4.23 3.76 -1.26 0.04 115.29 122.03 1oun s HIS 73 Ca 0.11 -0.24 -0.06 0.00 -0.15 0.00 0.00 55.06 54.71 1oun s HIS 73 Cb -0.10 -0.42 -0.00 0.00 1.11 0.00 0.00 32.58 33.17 1oun s HIS 73 CO 0.01 -0.02 0.12 -0.65 -0.85 0.00 0.00 174.74 173.34 1oun s GLN 74 N -0.66 0.45 0.29 1.40 -0.21 -0.44 -4.86 119.66 115.63 1oun s GLN 74 Ca -0.01 -0.40 -0.09 0.00 0.02 0.00 0.00 55.36 54.87 1oun s GLN 74 Cb -0.05 0.18 -0.07 0.00 1.00 0.00 0.00 33.01 34.07 1oun s GLN 74 CO 0.00 -0.10 0.62 -1.25 -2.12 0.00 0.00 175.29 172.44 1oun s PRO 75 N -1.33 3.78 0.31 2.91 0.04 -1.26 -1.33 135.00 138.12 1oun s PRO 75 Ca -0.14 0.30 0.08 0.00 0.04 0.00 0.00 61.00 61.28 1oun s PRO 75 Cb -0.08 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 1oun s PRO 75 CO 0.01 0.20 0.15 0.95 0.04 0.00 0.00 177.00 178.35 1oun s THR 76 N -2.02 3.39 0.47 1.26 -4.23 -0.61 -4.92 115.64 108.98 1oun s THR 76 Ca 0.48 -1.63 0.31 0.00 -1.18 0.00 0.00 61.69 59.67 1oun s THR 76 Cb -0.11 -3.05 0.34 0.00 1.34 0.00 0.00 72.50 71.02 1oun s THR 76 CO 0.25 -0.24 2.15 -0.65 -0.54 0.00 0.00 174.62 175.59 1oun h PRO 77 N 1.54 0.00 -1.01 3.99 0.11 -1.99 -2.77 132.00 131.87 1oun h PRO 77 Ca -0.45 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.10 1oun h PRO 77 Cb 1.25 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.07 1oun h PRO 77 CO 0.61 0.07 0.73 -0.25 -0.21 0.00 0.00 178.00 178.95 1oun n ASP 78 N -3.56 5.39 -1.11 -2.05 8.00 -1.26 -4.91 116.55 117.05 1oun n ASP 78 Ca -0.02 -3.64 -0.13 0.00 0.71 0.00 0.00 54.79 51.71 1oun n ASP 78 Cb 0.18 -0.90 -0.04 0.00 -0.02 0.00 0.00 41.12 40.34 1oun n ASP 78 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1oun n SER 79 N -0.99 -4.46 -4.95 -2.24 7.64 -1.04 -5.02 113.62 102.57 1oun n SER 79 Ca 0.59 0.25 -0.25 0.00 1.01 0.00 0.00 58.87 60.47 1oun n SER 79 Cb 1.22 -3.22 0.02 0.00 -1.01 0.00 0.00 64.21 61.22 1oun n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oun s ILE 81 N -2.77 0.78 -0.17 0.00 1.01 -0.40 -1.57 121.20 118.08 1oun s ILE 81 Ca 0.42 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 1oun s ILE 81 Cb -0.03 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 1oun s ILE 81 CO 0.27 0.24 -0.06 -0.63 0.00 0.00 0.00 174.94 174.76 1oun s ILE 82 N 0.02 3.55 -0.15 2.92 1.01 -0.44 0.04 121.20 128.15 1oun s ILE 82 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1oun s ILE 82 Cb -0.07 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1oun s ILE 82 CO 0.00 0.47 -0.15 -0.44 0.00 0.00 0.00 174.94 174.82 1oun s SER 83 N 0.78 3.75 -0.10 3.58 0.01 0.31 -1.33 113.70 120.70 1oun s SER 83 Ca -0.02 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 56.84 1oun s SER 83 Cb -0.15 -1.57 -0.00 0.00 0.21 0.00 0.00 66.02 64.50 1oun s SER 83 CO 0.02 0.11 -0.22 -0.32 0.41 0.00 0.00 173.24 173.23 1oun s MET 84 N 0.68 3.02 0.04 12.44 1.75 0.11 -0.78 119.30 136.55 1oun s MET 84 Ca -0.07 -0.85 0.03 0.00 -1.25 0.00 0.00 55.69 53.56 1oun s MET 84 Cb -0.16 -2.34 -0.02 0.00 2.84 0.00 0.00 34.83 35.16 1oun s MET 84 CO 0.02 0.23 -0.11 0.08 -0.65 0.00 0.00 175.02 174.59 1oun s VAL 85 N 0.24 0.81 -0.02 10.11 1.01 0.97 -1.34 120.40 132.18 1oun s VAL 85 Ca -0.15 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 60.92 1oun s VAL 85 Cb -0.17 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1oun s VAL 85 CO 0.07 -0.16 -0.21 0.54 0.00 0.00 0.00 175.10 175.34 1oun s VAL 86 N -1.01 1.69 0.00 2.92 0.11 -0.46 -1.63 120.40 122.02 1oun s VAL 86 Ca -0.03 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1oun s VAL 86 Cb -0.08 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 1oun s VAL 86 CO 0.01 0.48 0.00 0.61 -3.33 0.00 0.00 175.10 172.87 1oun n GLY 87 N 2.68 2.24 3.03 6.54 0.00 -0.57 -0.31 105.19 118.79 1oun n GLY 87 Ca -0.16 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 1oun n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oun s GLN 88 N 0.79 0.37 0.02 1.61 -0.21 0.06 -1.20 119.66 121.11 1oun s GLN 88 Ca 0.00 -0.50 -0.05 0.00 0.02 0.00 0.00 55.36 54.83 1oun s GLN 88 Cb 0.00 0.15 -0.01 0.00 1.00 0.00 0.00 33.01 34.15 1oun s GLN 88 CO 0.00 -0.08 0.08 -0.48 -2.12 0.00 0.00 175.29 172.70 1oun s LEU 89 N -1.38 1.81 -0.13 2.90 0.05 0.22 0.37 118.68 122.52 1oun s LEU 89 Ca -0.15 -0.39 -0.00 0.00 0.05 0.00 0.00 54.13 53.64 1oun s LEU 89 Cb -0.09 0.51 0.03 0.00 -2.05 0.00 0.00 46.19 44.59 1oun s LEU 89 CO 0.00 -0.40 -0.07 -0.75 -0.55 0.00 0.00 176.35 174.58 1oun s LYS 90 N -1.81 1.54 -0.21 1.48 2.20 0.17 -0.78 119.74 122.33 1oun s LYS 90 Ca -0.12 -0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.10 1oun s LYS 90 Cb -0.06 -1.73 -0.02 0.00 -1.51 0.00 0.00 37.83 34.50 1oun s LYS 90 CO -0.01 -0.31 0.00 0.00 -0.36 0.00 0.00 175.35 174.67 1oun s ALA 91 N 1.68 3.00 0.00 3.13 0.00 -1.26 -1.01 121.76 127.29 1oun s ALA 91 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1oun s ALA 91 Cb -0.13 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1oun s ALA 91 CO -0.08 -0.24 0.00 -0.25 0.00 0.00 0.00 175.76 175.19 1oun n ASP 92 N 4.43 0.00 -0.73 0.00 8.00 0.29 -1.60 116.55 126.94 1oun n ASP 92 Ca -0.17 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.39 1oun n ASP 92 Cb 0.52 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.79 1oun n ASP 92 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1oun n GLU 93 N 12.21 2.87 -1.95 -1.24 -0.58 -1.26 -5.00 120.64 125.69 1oun n GLU 93 Ca 0.00 -2.14 -0.30 0.00 -0.42 0.00 0.00 57.16 54.30 1oun n GLU 93 Cb 0.00 -1.32 0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1oun n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1oun s ASP 94 N -1.02 5.76 0.70 1.62 1.11 -0.63 -5.03 116.67 119.18 1oun s ASP 94 Ca 0.27 1.19 -0.12 0.00 0.18 0.00 0.00 52.55 54.06 1oun s ASP 94 Cb 0.14 -2.11 0.02 0.00 1.07 0.00 0.00 42.92 42.04 1oun s ASP 94 CO 0.18 -1.13 1.08 -2.16 1.18 0.00 0.00 175.17 174.32 1oun s PRO 95 N -5.24 2.72 0.14 8.23 0.04 -1.26 -4.50 135.00 135.12 1oun s PRO 95 Ca 0.56 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 1oun s PRO 95 Cb -0.11 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1oun s PRO 95 CO 0.52 -1.28 1.60 0.42 0.04 0.00 0.00 177.00 178.29 1oun s ILE 96 N -2.79 2.72 -0.01 0.56 -1.09 -1.26 -4.67 121.20 114.66 1oun s ILE 96 Ca 0.61 0.44 0.08 0.00 -2.23 0.00 0.00 60.65 59.55 1oun s ILE 96 Cb -0.16 -3.28 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1oun s ILE 96 CO 0.50 0.02 -0.24 -0.04 -1.23 0.00 0.00 174.94 173.96 1oun s MET 97 N 1.58 2.12 0.46 2.79 -1.94 0.04 -4.94 119.30 119.40 1oun s MET 97 Ca 0.71 -0.93 -0.20 0.00 -1.71 0.00 0.00 55.69 53.57 1oun s MET 97 Cb -0.43 -2.08 -0.10 0.00 2.01 0.00 0.00 34.83 34.23 1oun s MET 97 CO 0.32 0.56 0.97 0.20 -0.01 0.00 0.00 175.02 177.05 1oun s GLY 98 N -0.75 2.32 0.09 -0.03 0.00 -1.26 -0.61 107.32 107.08 1oun s GLY 98 Ca 0.11 0.36 -0.16 0.00 0.00 0.00 0.00 44.72 45.03 1oun s GLY 98 CO -0.00 0.65 0.39 -0.11 0.00 0.00 0.00 173.10 174.02 1oun s PHE 99 N -2.27 -0.20 -0.05 1.90 -0.12 -0.34 -0.56 117.98 116.33 1oun s PHE 99 Ca 0.62 -0.03 0.03 0.00 -0.05 0.00 0.00 56.93 57.49 1oun s PHE 99 Cb -0.10 0.22 0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1oun s PHE 99 CO 0.18 -0.64 -0.14 -1.01 -0.05 0.00 0.00 175.22 173.56 1oun s HIS 100 N -3.34 1.51 0.00 3.49 3.76 0.16 -1.52 115.29 119.36 1oun s HIS 100 Ca 0.00 -0.50 -0.01 0.00 -0.15 0.00 0.00 55.06 54.40 1oun s HIS 100 Cb 0.01 -1.07 -0.01 0.00 1.11 0.00 0.00 32.58 32.63 1oun s HIS 100 CO -0.09 -0.22 0.01 -1.14 -0.85 0.00 0.00 174.74 172.45 1oun s GLN 101 N 0.38 0.15 -0.00 1.40 0.74 -0.65 -0.34 119.66 121.33 1oun s GLN 101 Ca -0.10 -0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.12 1oun s GLN 101 Cb -0.13 0.06 -0.00 0.00 1.10 0.00 0.00 33.01 34.03 1oun s GLN 101 CO 0.03 -0.02 -0.05 1.41 -0.55 0.00 0.00 175.29 176.11 1oun s MET 102 N -0.56 0.39 0.03 1.67 -2.45 -0.28 -0.02 119.30 118.09 1oun s MET 102 Ca -0.06 -0.17 0.04 0.00 -1.25 0.00 0.00 55.69 54.25 1oun s MET 102 Cb -0.04 -0.38 -0.02 0.00 1.25 0.00 0.00 34.83 35.64 1oun s MET 102 CO -0.00 0.10 -0.12 -0.06 1.05 0.00 0.00 175.02 175.99 1oun s PHE 103 N -0.11 1.06 -0.24 4.11 0.08 0.04 -1.27 117.98 121.65 1oun s PHE 103 Ca 0.02 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.74 1oun s PHE 103 Cb -0.02 -0.64 0.03 0.00 -0.57 0.00 0.00 43.02 41.83 1oun s PHE 103 CO -0.00 0.01 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.86 1oun s LEU 104 N -0.99 3.08 -0.10 -0.37 2.96 -0.31 -0.53 118.68 122.42 1oun s LEU 104 Ca 0.00 -0.99 -0.04 0.00 -0.22 0.00 0.00 54.13 52.88 1oun s LEU 104 Cb -0.07 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1oun s LEU 104 CO 0.01 -0.13 0.07 -0.76 -1.32 0.00 0.00 176.35 174.22 1oun s LEU 105 N 1.26 3.98 -0.00 -0.68 1.43 0.11 -0.44 118.68 124.33 1oun s LEU 105 Ca -0.02 0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1oun s LEU 105 Cb -0.17 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 1oun s LEU 105 CO -0.06 0.39 -0.11 -0.75 0.23 0.00 0.00 176.35 176.05 1oun s LYS 106 N -0.94 0.88 -0.47 1.70 2.20 0.65 -1.27 119.74 122.49 1oun s LYS 106 Ca 0.14 -0.44 -0.24 0.00 -0.36 0.00 0.00 55.97 55.06 1oun s LYS 106 Cb -0.12 -0.85 0.03 0.00 -1.51 0.00 0.00 37.83 35.38 1oun s LYS 106 CO 0.03 0.23 0.87 1.21 -0.36 0.00 0.00 175.35 177.33 1oun s ASN 107 N -0.39 6.44 -0.08 1.43 3.84 -1.26 -0.50 114.94 124.42 1oun s ASN 107 Ca 0.04 -0.05 0.01 0.00 0.21 0.00 0.00 52.86 53.06 1oun s ASN 107 Cb -0.05 -2.42 0.02 0.00 -0.55 0.00 0.00 41.25 38.25 1oun s ASN 107 CO -0.00 -1.02 -0.08 -0.63 -2.79 0.00 0.00 177.10 172.57 1oun s ILE 108 N 3.59 0.92 -1.24 -5.21 1.01 0.20 -4.73 121.20 115.76 1oun s ILE 108 Ca 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1oun s ILE 108 Cb -0.11 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1oun s ILE 108 CO 0.24 0.33 0.16 0.59 0.00 0.00 0.00 174.94 176.25 1oun n ASN 109 N 4.39 -4.68 0.00 3.58 5.03 -1.26 -2.72 115.26 119.61 1oun n ASN 109 Ca -0.18 -0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.19 1oun n ASN 109 Cb 0.51 -3.72 0.00 0.00 -1.02 0.00 0.00 39.78 35.55 1oun n ASN 109 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1oun n ASP 110 N -1.05 -0.57 -4.31 6.41 -0.08 -1.26 -5.02 116.55 110.67 1oun n ASP 110 Ca -0.15 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 52.95 1oun n ASP 110 Cb 0.62 -0.25 -0.10 0.00 2.34 0.00 0.00 41.12 43.72 1oun n ASP 110 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1oun s ALA 111 N -3.48 1.86 -0.12 -1.67 0.00 -1.10 -5.09 121.76 112.15 1oun s ALA 111 Ca 0.00 -1.54 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 1oun s ALA 111 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1oun s ALA 111 CO 0.00 0.09 0.57 -1.58 0.00 0.00 0.00 175.76 174.83 1oun s TRP 112 N -2.69 3.50 0.24 0.00 0.52 -1.26 -0.63 118.94 118.62 1oun s TRP 112 Ca 0.18 0.99 0.04 0.00 0.02 0.00 0.00 56.10 57.33 1oun s TRP 112 Cb -0.02 -2.67 -0.05 0.00 -1.15 0.00 0.00 33.47 29.58 1oun s TRP 112 CO 0.05 0.07 -0.01 0.14 0.02 0.00 0.00 176.95 177.22 1oun s VAL 113 N 0.95 1.16 -0.23 4.03 -7.23 0.34 -4.93 120.40 114.49 1oun s VAL 113 Ca 0.29 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 58.24 1oun s VAL 113 Cb -0.16 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1oun s VAL 113 CO 0.12 -0.31 0.48 0.00 -0.31 0.00 0.00 175.10 175.08 1oun n THR 115 N 4.77 0.95 -4.03 0.00 -2.24 0.41 -4.06 114.28 110.08 1oun n THR 115 Ca -0.06 -0.70 -0.16 0.00 -2.27 0.00 0.00 64.05 60.87 1oun n THR 115 Cb 0.50 -0.38 -0.15 0.00 -2.10 0.00 0.00 70.33 68.20 1oun n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1oun s ASN 116 N -5.01 0.45 -0.03 3.42 0.01 -1.19 -1.39 114.94 111.21 1oun s ASN 116 Ca -0.09 -0.06 -0.00 0.00 -0.71 0.00 0.00 52.86 52.00 1oun s ASN 116 Cb 0.07 -0.14 0.03 0.00 0.41 0.00 0.00 41.25 41.63 1oun s ASN 116 CO 0.76 -0.01 0.03 -0.62 -1.51 0.00 0.00 177.10 175.75 1oun s ASP 117 N 0.36 0.43 -0.08 -1.22 -1.08 -0.28 -1.16 116.67 113.62 1oun s ASP 117 Ca -0.04 0.04 0.02 0.00 -0.52 0.00 0.00 52.55 52.05 1oun s ASP 117 Cb -0.07 -0.12 0.01 0.00 -1.46 0.00 0.00 42.92 41.29 1oun s ASP 117 CO -0.01 -0.16 -0.14 -0.04 0.52 0.00 0.00 175.17 175.35 1oun s MET 118 N 1.36 1.94 -0.02 4.34 -1.94 -0.39 -0.83 119.30 123.75 1oun s MET 118 Ca -0.05 -0.48 0.04 0.00 -1.71 0.00 0.00 55.69 53.49 1oun s MET 118 Cb -0.13 -1.62 -0.01 0.00 2.01 0.00 0.00 34.83 35.09 1oun s MET 118 CO -0.03 0.00 -0.14 0.12 -0.01 0.00 0.00 175.02 174.96 1oun s PHE 119 N 0.78 1.32 -0.12 -0.03 5.36 0.04 -1.12 117.98 124.20 1oun s PHE 119 Ca -0.12 -0.29 -0.09 0.00 -0.96 0.00 0.00 56.93 55.47 1oun s PHE 119 Cb -0.16 -0.87 0.04 0.00 -0.34 0.00 0.00 43.02 41.69 1oun s PHE 119 CO 0.02 -0.07 0.31 1.03 -1.46 0.00 0.00 175.22 175.06 1oun s ARG 120 N -0.16 0.32 0.44 10.12 0.52 0.53 -0.92 118.95 129.81 1oun s ARG 120 Ca 0.02 0.54 -0.21 0.00 -0.52 0.00 0.00 55.73 55.56 1oun s ARG 120 Cb -0.07 0.04 -0.10 0.00 0.52 0.00 0.00 34.95 35.34 1oun s ARG 120 CO 0.00 -0.11 1.00 -0.51 0.02 0.00 0.00 175.30 175.71 1oun s LEU 121 N 0.79 3.95 0.26 2.53 1.43 -1.26 0.35 118.68 126.73 1oun s LEU 121 Ca -0.05 1.85 -0.15 0.00 -1.03 0.00 0.00 54.13 54.75 1oun s LEU 121 Cb -0.06 -4.47 -0.08 0.00 0.03 0.00 0.00 46.19 41.61 1oun s LEU 121 CO -0.05 -0.55 0.68 0.00 0.23 0.00 0.00 176.35 176.66 1oun s ALA 122 N -1.98 3.42 -0.11 4.21 0.00 0.27 -4.84 121.76 122.73 1oun s ALA 122 Ca 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 1oun s ALA 122 Cb -0.15 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1oun s ALA 122 CO 0.19 0.37 0.04 -0.51 0.00 0.00 0.00 175.76 175.85 1oun s LEU 123 N -2.56 3.80 0.00 0.00 1.43 -1.26 -4.65 118.68 115.44 1oun s LEU 123 Ca 0.48 0.21 0.26 0.00 -1.03 0.00 0.00 54.13 54.05 1oun s LEU 123 Cb -0.13 -1.90 1.55 0.00 0.03 0.00 0.00 46.19 45.74 1oun s LEU 123 CO 0.19 0.35 1.90 1.57 0.23 0.00 0.00 176.35 180.59