#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cly s LEU 5 N 0.00 4.16 0.12 -5.58 1.43 -1.26 -5.11 118.68 112.45 2cly s LEU 5 Ca 0.00 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 2cly s LEU 5 Cb 0.00 -2.59 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 2cly s LEU 5 CO 0.00 0.23 0.47 0.00 0.23 0.00 0.00 176.35 177.28 2cly s ALA 6 N -1.35 3.65 -0.45 4.21 0.00 -1.26 -5.06 121.76 121.51 2cly s ALA 6 Ca 0.28 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2cly s ALA 6 Cb -0.12 -2.39 0.18 0.00 0.00 0.00 0.00 23.12 20.78 2cly s ALA 6 CO 0.20 0.52 0.52 -0.51 0.00 0.00 0.00 175.76 176.49 2cly s LEU 7 N -2.01 -0.21 -0.18 0.00 1.43 -1.26 -5.11 118.68 111.34 2cly s LEU 7 Ca 0.36 -2.11 -0.16 0.00 -1.03 0.00 0.00 54.13 51.19 2cly s LEU 7 Cb -0.14 0.85 -0.07 0.00 0.03 0.00 0.00 46.19 46.86 2cly s LEU 7 CO 0.19 -0.14 0.76 1.17 0.23 0.00 0.00 176.35 178.56 2cly n LYS 8 N 3.24 0.00 -1.18 1.70 3.00 -1.26 -4.82 118.16 118.84 2cly n LYS 8 Ca 0.20 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.18 2cly n LYS 8 Cb 0.51 -0.55 0.12 0.00 0.00 0.00 0.00 35.03 35.11 2cly n LYS 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2cly n THR 9 N 2.28 2.40 -3.66 3.15 -1.04 -1.26 -5.03 114.28 111.12 2cly n THR 9 Ca 0.19 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.05 61.86 2cly n THR 9 Cb -0.02 -1.23 -0.11 0.00 -1.82 0.00 0.00 70.33 67.15 2cly n THR 9 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2cly s ILE 10 N -2.03 -0.57 -0.31 12.58 1.01 -1.26 -5.11 121.20 125.51 2cly s ILE 10 Ca 0.75 0.20 -0.12 0.00 0.00 0.00 0.00 60.65 61.48 2cly s ILE 10 Cb -0.30 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2cly s ILE 10 CO 0.49 0.08 0.23 1.51 0.00 0.00 0.00 174.94 177.25 2cly s ASP 11 N 2.55 6.05 0.40 3.58 -4.77 -1.26 -4.97 116.67 118.26 2cly s ASP 11 Ca -0.01 -0.16 0.18 0.00 -3.30 0.00 0.00 52.55 49.26 2cly s ASP 11 Cb -0.12 -2.13 0.87 0.00 -1.09 0.00 0.00 42.92 40.44 2cly s ASP 11 CO -0.11 -0.14 1.85 -0.50 0.70 0.00 0.00 175.17 176.97 2cly h TRP 12 N 8.41 0.00 -0.01 2.11 4.06 -1.99 -2.86 115.95 125.68 2cly h TRP 12 Ca -0.33 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.45 2cly h TRP 12 Cb 1.17 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.32 2cly h TRP 12 CO 0.72 0.32 -0.76 -0.24 -3.56 0.00 0.00 178.44 174.92 2cly h VAL 13 N 0.00 1.51 -0.40 1.49 3.04 -1.99 -0.01 116.25 119.89 2cly h VAL 13 Ca -0.00 -2.51 -0.02 0.00 -1.01 0.00 0.00 66.70 63.15 2cly h VAL 13 Cb 0.66 2.36 -0.02 0.00 -2.01 0.00 0.00 31.29 32.29 2cly h VAL 13 CO 0.04 0.72 0.15 0.00 -1.01 0.00 0.00 177.57 177.48 2cly h ALA 14 N 1.18 0.52 -0.52 3.17 0.00 -1.93 -2.16 119.26 119.52 2cly h ALA 14 Ca -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2cly h ALA 14 Cb 1.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2cly h ALA 14 CO 0.11 0.13 0.34 0.35 0.00 0.00 0.00 179.25 180.17 2cly h PHE 15 N 0.50 0.64 -0.90 0.00 3.57 -1.23 0.29 116.94 119.81 2cly h PHE 15 Ca 0.13 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.83 2cly h PHE 15 Cb 0.20 -0.21 -0.11 0.00 2.79 0.00 0.00 35.95 38.62 2cly h PHE 15 CO 0.00 0.39 0.46 0.78 -2.23 0.00 0.00 178.31 177.71 2cly h GLY 16 N 0.69 1.53 -0.30 2.40 0.00 -0.95 -2.81 103.07 103.62 2cly h GLY 16 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2cly h GLY 16 CO -0.06 -0.14 0.00 1.18 0.00 0.00 0.00 176.54 177.53 2cly n GLU 17 N -4.92 1.38 -0.00 4.80 -0.58 0.99 -3.78 120.64 118.53 2cly n GLU 17 Ca 0.20 -0.58 0.01 0.00 -0.42 0.00 0.00 57.16 56.37 2cly n GLU 17 Cb 0.55 -1.28 0.01 0.00 -0.57 0.00 0.00 31.44 30.16 2cly n GLU 17 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2cly n ILE 18 N -0.14 0.01 -3.35 -3.67 -5.35 -1.02 -4.98 119.36 100.85 2cly n ILE 18 Ca 0.12 -0.50 -0.40 0.00 -0.27 0.00 0.00 62.75 61.70 2cly n ILE 18 Cb 0.18 1.06 -0.09 0.00 -1.74 0.00 0.00 39.64 39.05 2cly n ILE 18 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2cly s ILE 19 N -0.24 5.13 0.67 7.28 -1.09 -1.25 -5.07 121.20 126.63 2cly s ILE 19 Ca 0.03 0.46 -0.17 0.00 -2.23 0.00 0.00 60.65 58.75 2cly s ILE 19 Cb 0.02 -3.78 -0.08 0.00 -1.58 0.00 0.00 42.46 37.04 2cly s ILE 19 CO 0.04 0.04 0.25 -2.65 -1.23 0.00 0.00 174.94 171.39 2cly n PRO 20 N 5.44 0.25 -0.17 2.79 -0.02 -1.26 -4.81 135.00 137.22 2cly n PRO 20 Ca -0.07 0.11 -0.09 0.00 -2.02 0.00 0.00 63.50 61.43 2cly n PRO 20 Cb 0.50 -1.54 0.01 0.00 -0.02 0.00 0.00 33.50 32.45 2cly n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cly h ARG 21 N -0.22 0.76 0.00 -0.52 3.08 -2.00 -2.26 114.38 113.21 2cly h ARG 21 Ca -0.44 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.44 2cly h ARG 21 Cb 1.38 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2cly h ARG 21 CO 0.41 0.71 0.00 0.27 -1.07 0.00 0.00 179.97 180.30 2cly n ASN 22 N -4.51 0.00 0.00 7.04 6.94 -1.26 -1.32 115.26 122.15 2cly n ASN 22 Ca 0.01 -0.42 0.00 0.00 -0.02 0.00 0.00 54.58 54.16 2cly n ASN 22 Cb 0.19 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 2cly n ASN 22 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2cly n GLN 23 N -0.52 0.03 -0.35 -3.83 6.02 -0.89 -4.82 117.38 113.02 2cly n GLN 23 Ca 0.00 -0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.07 2cly n GLN 23 Cb 0.00 -0.42 0.28 0.00 1.02 0.00 0.00 30.24 31.12 2cly n GLN 23 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2cly h LYS 24 N 0.00 0.87 -0.07 -1.09 3.64 -0.79 -2.11 116.57 117.02 2cly h LYS 24 Ca 0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2cly h LYS 24 Cb 0.38 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2cly h LYS 24 CO 0.00 0.58 -0.15 0.00 -2.27 0.00 0.00 179.45 177.60 2cly h ALA 25 N 1.58 -0.51 -0.69 5.00 0.00 -1.88 0.19 119.26 122.96 2cly h ALA 25 Ca 0.53 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.49 2cly h ALA 25 Cb 0.65 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 2cly h ALA 25 CO -0.30 -0.57 -0.49 0.28 0.00 0.00 0.00 179.25 178.16 2cly h VAL 26 N -0.14 0.00 -0.71 0.00 2.07 -1.83 -1.19 116.25 114.44 2cly h VAL 26 Ca 0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.68 2cly h VAL 26 Cb 0.18 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.85 2cly h VAL 26 CO -0.14 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.67 2cly h ALA 27 N 0.11 0.95 0.19 1.67 0.00 -0.77 0.15 119.26 121.57 2cly h ALA 27 Ca 0.11 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2cly h ALA 27 Cb 0.39 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2cly h ALA 27 CO -0.71 -0.28 -0.51 -0.91 0.00 0.00 0.00 179.25 176.84 2cly h ASN 28 N 0.34 -1.52 -0.81 0.00 2.35 0.53 -0.54 115.58 115.95 2cly h ASN 28 Ca 0.39 0.15 0.10 0.00 -0.55 0.00 0.00 56.30 56.40 2cly h ASN 28 Cb 0.62 0.55 -0.06 0.00 0.05 0.00 0.00 38.32 39.49 2cly h ASN 28 CO -0.44 -0.57 0.53 -1.28 -1.65 0.00 0.00 177.43 174.01 2cly h SER 29 N -0.79 0.65 -0.70 5.81 0.87 0.02 0.12 113.55 119.54 2cly h SER 29 Ca -0.01 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2cly h SER 29 Cb 0.78 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 2cly h SER 29 CO -0.24 0.38 0.40 0.25 -0.53 0.00 0.00 176.83 177.09 2cly h LEU 30 N 0.72 0.86 0.14 2.23 5.85 -0.43 -1.06 115.31 123.63 2cly h LEU 30 Ca 0.38 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 2cly h LEU 30 Cb 0.48 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2cly h LEU 30 CO -0.15 0.70 -0.06 0.11 -0.34 0.00 0.00 178.44 178.70 2cly h LYS 31 N 0.96 -0.18 -0.64 1.25 1.79 0.82 -2.58 116.57 118.00 2cly h LYS 31 Ca 0.25 0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.66 2cly h LYS 31 Cb 0.02 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 2cly h LYS 31 CO -0.04 -0.03 0.13 0.66 -1.08 0.00 0.00 179.45 179.09 2cly h SER 32 N -0.29 0.99 -0.15 0.86 4.64 -1.20 -0.94 113.55 117.47 2cly h SER 32 Ca -0.02 -0.25 0.03 0.00 -0.47 0.00 0.00 61.79 61.09 2cly h SER 32 Cb 0.23 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 2cly h SER 32 CO 0.03 0.98 -0.06 -0.25 -0.87 0.00 0.00 176.83 176.66 2cly h TRP 33 N 0.96 -0.15 -0.37 4.77 -0.00 -1.22 0.62 115.95 120.56 2cly h TRP 33 Ca 0.20 0.02 0.08 0.00 -0.00 0.00 0.00 58.89 59.18 2cly h TRP 33 Cb 0.40 0.09 -0.08 0.00 -0.00 0.00 0.00 29.16 29.56 2cly h TRP 33 CO 0.03 -0.10 -0.22 -0.97 -0.00 0.00 0.00 178.44 177.18 2cly h ASN 34 N -0.04 -0.74 0.33 2.65 -0.73 -1.03 0.86 115.58 116.89 2cly h ASN 34 Ca 0.08 0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.39 2cly h ASN 34 Cb 0.16 0.38 0.00 0.00 0.27 0.00 0.00 38.32 39.14 2cly h ASN 34 CO -0.18 -0.25 -0.16 -0.33 -0.37 0.00 0.00 177.43 176.14 2cly h GLU 35 N -0.17 -0.43 -0.42 6.67 5.08 -0.36 0.33 114.58 125.29 2cly h GLU 35 Ca 0.18 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2cly h GLU 35 Cb 0.45 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2cly h GLU 35 CO -0.47 -0.28 -0.37 1.15 -1.00 0.00 0.00 179.01 178.04 2cly h THR 36 N -0.45 0.00 -0.63 1.13 2.02 0.63 0.13 112.91 115.74 2cly h THR 36 Ca -0.05 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.26 2cly h THR 36 Cb 0.34 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.66 2cly h THR 36 CO 0.07 0.00 0.12 -0.07 0.37 0.00 0.00 175.52 176.02 2cly h LEU 37 N -0.16 -0.03 0.08 2.58 3.38 0.11 0.14 115.31 121.40 2cly h LEU 37 Ca 0.07 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2cly h LEU 37 Cb 0.34 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2cly h LEU 37 CO -0.48 -0.02 -0.08 0.74 0.09 0.00 0.00 178.44 178.70 2cly h THR 38 N 0.24 0.82 -0.70 0.22 2.02 0.34 -1.71 112.91 114.15 2cly h THR 38 Ca 0.34 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.62 2cly h THR 38 Cb 0.52 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.68 2cly h THR 38 CO -0.44 0.00 0.31 0.28 0.37 0.00 0.00 175.52 176.04 2cly h SER 39 N -0.17 0.37 0.25 4.18 0.02 0.70 -1.92 113.55 116.98 2cly h SER 39 Ca 0.00 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2cly h SER 39 Cb 0.17 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2cly h SER 39 CO -0.02 0.20 -0.46 -0.09 -1.14 0.00 0.00 176.83 175.32 2cly h ARG 40 N 0.52 -0.75 -0.02 3.45 9.65 -0.11 -1.28 114.38 125.84 2cly h ARG 40 Ca 0.36 0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.29 2cly h ARG 40 Cb 0.44 0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.19 2cly h ARG 40 CO -0.31 -0.50 0.03 -0.07 2.80 0.00 0.00 179.97 181.92 2cly h LEU 41 N -0.78 0.00 -1.69 3.80 3.38 -0.57 0.18 115.31 119.63 2cly h LEU 41 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2cly h LEU 41 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2cly h LEU 41 CO -0.18 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.16 2cly h ALA 42 N 1.97 1.43 0.00 1.53 0.00 -0.71 -3.26 119.26 120.21 2cly h ALA 42 Ca 0.01 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 2cly h ALA 42 Cb 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2cly h ALA 42 CO -0.00 0.23 -1.90 0.25 0.00 0.00 0.00 179.25 177.83 2cly n THR 43 N -3.93 0.74 -2.86 0.00 -2.24 0.50 -4.88 114.28 101.61 2cly n THR 43 Ca -0.02 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.79 2cly n THR 43 Cb 0.27 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.02 2cly n THR 43 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cly s LEU 44 N -4.81 4.20 0.38 3.22 1.43 -0.31 -5.02 118.68 117.78 2cly s LEU 44 Ca -0.07 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.22 2cly s LEU 44 Cb 0.05 -2.70 -0.09 0.00 0.03 0.00 0.00 46.19 43.49 2cly s LEU 44 CO 0.59 -1.27 1.33 -2.16 0.23 0.00 0.00 176.35 175.06 2cly s PRO 45 N 3.94 4.08 0.10 1.29 0.04 -1.26 -4.82 135.00 138.38 2cly s PRO 45 Ca 0.27 2.22 -0.20 0.00 0.04 0.00 0.00 61.00 63.34 2cly s PRO 45 Cb -0.14 -2.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.49 2cly s PRO 45 CO 0.16 -0.42 1.03 0.39 0.04 0.00 0.00 177.00 178.20 2cly n GLU 46 N 0.34 -0.28 -4.45 4.56 -0.58 -1.26 -4.55 120.64 114.41 2cly n GLU 46 Ca 0.02 1.01 -0.23 0.00 -0.42 0.00 0.00 57.16 57.54 2cly n GLU 46 Cb 0.43 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.71 2cly n GLU 46 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2cly s LYS 47 N -5.22 1.63 0.68 3.49 1.02 -1.26 -5.15 119.74 114.93 2cly s LYS 47 Ca -0.08 -1.75 -0.11 0.00 0.02 0.00 0.00 55.97 54.05 2cly s LYS 47 Cb 0.07 -1.67 -0.00 0.00 -0.52 0.00 0.00 37.83 35.71 2cly s LYS 47 CO 0.40 0.30 1.07 -2.14 -0.92 0.00 0.00 175.35 174.07 2cly s PRO 48 N -3.53 3.09 0.43 -1.68 0.02 -1.26 -5.02 135.00 127.05 2cly s PRO 48 Ca 0.29 0.60 -0.20 0.00 0.02 0.00 0.00 61.00 61.70 2cly s PRO 48 Cb -0.04 -2.04 -0.15 0.00 0.02 0.00 0.00 34.50 32.29 2cly s PRO 48 CO 0.14 -0.90 0.09 -2.30 -0.33 0.00 0.00 177.00 173.70 2cly n PRO 49 N -2.94 0.07 0.00 5.54 -0.01 -1.26 -4.99 135.00 131.40 2cly n PRO 49 Ca 0.07 0.02 0.00 0.00 -0.01 0.00 0.00 63.50 63.58 2cly n PRO 49 Cb 0.56 -1.07 0.00 0.00 -0.01 0.00 0.00 33.50 32.98 2cly n PRO 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2cly n ALA 50 N -1.14 0.00 -3.72 3.55 0.00 -1.26 -5.05 120.51 112.88 2cly n ALA 50 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 2cly n ALA 50 Cb 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.70 2cly n ALA 50 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2cly s ILE 51 N -0.97 0.29 -1.12 0.00 1.01 -1.26 -5.04 121.20 114.11 2cly s ILE 51 Ca 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 60.65 60.32 2cly s ILE 51 Cb 0.00 -0.64 -0.16 0.00 0.01 0.00 0.00 42.46 41.67 2cly s ILE 51 CO 0.00 0.03 2.04 -0.62 0.00 0.00 0.00 174.94 176.39 2cly s ASP 52 N 1.99 4.12 0.14 3.58 -1.08 -1.26 -4.71 116.67 119.46 2cly s ASP 52 Ca 0.03 -1.24 -0.16 0.00 -0.52 0.00 0.00 52.55 50.67 2cly s ASP 52 Cb -0.14 -2.59 0.01 0.00 -1.46 0.00 0.00 42.92 38.74 2cly s ASP 52 CO -0.06 -4.02 1.74 -0.50 0.52 0.00 0.00 175.17 172.84 2cly h TRP 53 N 10.85 0.59 -0.39 -5.34 4.06 -2.00 -2.69 115.95 121.03 2cly h TRP 53 Ca 0.10 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.10 2cly h TRP 53 Cb 0.97 -0.19 -0.09 0.00 -1.00 0.00 0.00 29.16 28.86 2cly h TRP 53 CO 1.10 0.47 -0.35 0.00 -3.56 0.00 0.00 178.44 176.11 2cly h ALA 54 N 1.07 -0.24 -0.36 1.49 0.00 -1.98 0.24 119.26 119.47 2cly h ALA 54 Ca 0.15 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.23 2cly h ALA 54 Cb 0.09 0.74 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2cly h ALA 54 CO -0.02 -0.76 -0.20 -0.92 0.00 0.00 0.00 179.25 177.35 2cly h TYR 55 N -0.28 -0.51 -0.14 0.00 3.20 -1.89 0.84 116.97 118.19 2cly h TYR 55 Ca 0.16 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2cly h TYR 55 Cb 0.55 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 2cly h TYR 55 CO -0.55 -0.28 0.04 1.88 -1.64 0.00 0.00 178.16 177.61 2cly h TYR 56 N -0.15 0.22 -0.92 -3.82 -1.99 -1.07 0.19 116.97 109.44 2cly h TYR 56 Ca 0.18 -0.02 0.22 0.00 2.00 0.00 0.00 58.73 61.11 2cly h TYR 56 Cb 0.42 -0.06 -0.12 0.00 2.00 0.00 0.00 36.73 38.97 2cly h TYR 56 CO -0.42 0.33 0.44 -0.22 -0.00 0.00 0.00 178.16 178.30 2cly h LYS 57 N 0.04 0.44 -0.20 4.88 3.64 0.13 0.22 116.57 125.72 2cly h LYS 57 Ca 0.04 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2cly h LYS 57 Cb 0.22 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2cly h LYS 57 CO -0.00 0.29 -0.01 0.00 -2.27 0.00 0.00 179.45 177.46 2cly h ALA 58 N 1.70 1.62 -2.65 5.00 0.00 0.21 -3.32 119.26 121.81 2cly h ALA 58 Ca 0.57 -0.13 -0.61 0.00 0.00 0.00 0.00 54.91 54.74 2cly h ALA 58 Cb 1.07 -0.09 -0.42 0.00 0.00 0.00 0.00 17.79 18.35 2cly h ALA 58 CO -0.51 0.28 -0.64 0.09 0.00 0.00 0.00 179.25 178.48 2cly n ASN 59 N -4.36 2.86 0.00 0.00 3.02 0.76 -5.06 115.26 112.47 2cly n ASN 59 Ca -0.00 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.35 2cly n ASN 59 Cb 0.19 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 2cly n ASN 59 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2cly n VAL 60 N 1.60 0.00 0.00 2.41 3.14 -1.15 -4.85 118.33 119.49 2cly n VAL 60 Ca 0.24 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.62 2cly n VAL 60 Cb 0.39 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.17 2cly n VAL 60 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2cly n ALA 61 N -3.00 0.00 -2.10 1.55 0.00 -1.26 -5.10 120.51 110.61 2cly n ALA 61 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2cly n ALA 61 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2cly n ALA 61 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2cly s LYS 62 N -1.61 4.60 0.00 0.00 -0.14 -1.26 -5.02 119.74 116.31 2cly s LYS 62 Ca 0.00 1.68 0.00 0.00 -1.36 0.00 0.00 55.97 56.29 2cly s LYS 62 Cb 0.00 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.86 2cly s LYS 62 CO 0.00 0.09 0.00 0.00 -0.76 0.00 0.00 175.35 174.68 2cly n ALA 63 N 2.46 0.00 -0.58 5.17 0.00 -1.26 -3.83 120.51 122.47 2cly n ALA 63 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 2cly n ALA 63 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 2cly n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cly n GLY 64 N 0.00 2.68 0.38 0.00 0.00 -1.26 -4.25 105.19 102.74 2cly n GLY 64 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 2cly n GLY 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2cly h LEU 65 N 3.15 -0.79 -0.29 0.99 5.85 -1.99 0.15 115.31 122.39 2cly h LEU 65 Ca 0.04 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2cly h LEU 65 Cb 1.04 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 2cly h LEU 65 CO 0.08 -0.48 -0.22 0.58 -0.34 0.00 0.00 178.44 178.07 2cly h VAL 66 N -1.08 0.42 -0.16 1.05 2.07 -1.84 0.56 116.25 117.27 2cly h VAL 66 Ca -0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2cly h VAL 66 Cb 0.74 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2cly h VAL 66 CO 0.16 0.00 -0.16 0.44 0.02 0.00 0.00 177.57 178.02 2cly h ASP 67 N -0.20 -0.52 -0.64 0.57 3.32 -1.85 0.64 116.42 117.74 2cly h ASP 67 Ca 0.16 0.10 0.13 0.00 0.02 0.00 0.00 57.03 57.43 2cly h ASP 67 Cb 0.44 0.25 -0.12 0.00 0.22 0.00 0.00 39.33 40.12 2cly h ASP 67 CO -0.41 -0.21 -0.15 -0.78 -1.72 0.00 0.00 179.24 175.97 2cly h ASP 68 N -0.19 -0.57 0.01 6.45 3.58 0.12 -1.50 116.42 124.32 2cly h ASP 68 Ca 0.11 0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 2cly h ASP 68 Cb 0.35 0.39 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2cly h ASP 68 CO -0.28 -0.20 -0.00 -0.26 -2.88 0.00 0.00 179.24 175.62 2cly h PHE 69 N 0.01 -0.01 -0.12 0.28 -1.00 0.14 0.06 116.94 116.29 2cly h PHE 69 Ca 0.31 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.13 2cly h PHE 69 Cb 0.47 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.98 2cly h PHE 69 CO -0.51 0.49 -0.21 1.49 -1.61 0.00 0.00 178.31 177.97 2cly h GLU 70 N -0.52 -0.25 0.00 1.51 4.81 0.38 0.95 114.58 121.46 2cly h GLU 70 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2cly h GLU 70 Cb 0.51 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2cly h GLU 70 CO 0.00 -0.17 0.00 1.63 -0.73 0.00 0.00 179.01 179.74 2cly n LYS 71 N -5.34 0.00 -0.35 1.92 5.02 -0.58 -1.72 118.16 117.11 2cly n LYS 71 Ca -0.03 0.76 0.24 0.00 -2.02 0.00 0.00 58.31 57.26 2cly n LYS 71 Cb 0.26 -1.44 0.49 0.00 -0.02 0.00 0.00 35.03 34.32 2cly n LYS 71 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2cly h LYS 72 N 0.00 0.37 0.53 1.97 1.57 -0.11 -1.54 116.57 119.36 2cly h LYS 72 Ca 0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2cly h LYS 72 Cb 0.00 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.23 2cly h LYS 72 CO 0.00 0.25 -0.26 0.35 -0.57 0.00 0.00 179.45 179.22 2cly h PHE 73 N 0.39 -0.66 -4.22 -1.35 3.57 0.13 -3.25 116.94 111.54 2cly h PHE 73 Ca 0.67 -0.02 -0.53 0.00 3.53 0.00 0.00 57.97 61.63 2cly h PHE 73 Cb 1.62 0.22 0.18 0.00 2.79 0.00 0.00 35.95 40.75 2cly h PHE 73 CO -0.01 -0.41 0.32 -0.80 -2.23 0.00 0.00 178.31 175.18 2cly s ASN 74 N -3.28 3.58 -1.29 0.41 0.01 -0.58 -2.38 114.94 111.41 2cly s ASN 74 Ca -0.10 2.30 0.00 0.00 -0.71 0.00 0.00 52.86 54.34 2cly s ASN 74 Cb 0.01 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2cly s ASN 74 CO 0.31 -2.67 0.00 0.00 -1.51 0.00 0.00 177.10 173.23 2cly n ALA 75 N -3.43 -0.32 -2.72 0.60 0.00 -1.26 -4.81 120.51 108.57 2cly n ALA 75 Ca 0.13 0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.37 2cly n ALA 75 Cb 0.51 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 2cly n ALA 75 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2cly s LEU 76 N -4.12 4.03 -0.44 0.00 2.96 -1.00 -5.02 118.68 115.09 2cly s LEU 76 Ca 0.00 -0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 53.54 2cly s LEU 76 Cb 0.00 -2.07 0.05 0.00 0.50 0.00 0.00 46.19 44.68 2cly s LEU 76 CO 0.00 -0.11 0.35 -0.54 -1.32 0.00 0.00 176.35 174.73 2cly s LYS 77 N 1.70 2.95 0.15 1.98 1.02 -1.26 -5.02 119.74 121.26 2cly s LYS 77 Ca 0.06 -1.22 -0.31 0.00 0.02 0.00 0.00 55.97 54.51 2cly s LYS 77 Cb -0.16 -4.05 -0.10 0.00 -0.52 0.00 0.00 37.83 33.01 2cly s LYS 77 CO 0.09 -0.91 1.54 0.08 -0.92 0.00 0.00 175.35 175.22 2cly s VAL 78 N 1.64 2.78 0.28 3.17 1.01 -1.26 -4.98 120.40 123.04 2cly s VAL 78 Ca 0.04 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 2cly s VAL 78 Cb -0.22 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 2cly s VAL 78 CO 0.08 0.04 1.24 -2.16 0.00 0.00 0.00 175.10 174.29 2cly s PRO 79 N 1.20 4.46 0.01 2.72 0.04 -1.26 -5.00 135.00 137.17 2cly s PRO 79 Ca 0.69 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.48 2cly s PRO 79 Cb -0.42 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 2cly s PRO 79 CO 0.31 -0.07 0.94 0.42 0.04 0.00 0.00 177.00 178.63 2cly s ILE 80 N -0.83 4.82 0.17 0.56 1.01 -1.26 -5.02 121.20 120.64 2cly s ILE 80 Ca 0.49 1.97 -0.34 0.00 0.00 0.00 0.00 60.65 62.78 2cly s ILE 80 Cb -0.36 -4.28 -0.14 0.00 0.01 0.00 0.00 42.46 37.69 2cly s ILE 80 CO 0.45 0.21 1.57 -0.81 0.00 0.00 0.00 174.94 176.36 2cly n PRO 81 N 3.63 2.16 -1.68 2.79 -0.04 -1.26 -4.93 135.00 135.67 2cly n PRO 81 Ca 0.04 0.78 -0.45 0.00 -0.04 0.00 0.00 63.50 63.83 2cly n PRO 81 Cb 0.51 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 2cly n PRO 81 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2cly n GLU 82 N 3.36 2.21 -2.64 0.54 1.02 -1.26 -4.91 120.64 118.96 2cly n GLU 82 Ca 0.17 0.79 -0.43 0.00 -0.02 0.00 0.00 57.16 57.67 2cly n GLU 82 Cb 0.29 -2.51 -0.00 0.00 -0.02 0.00 0.00 31.44 29.20 2cly n GLU 82 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2cly s ASP 83 N 0.55 6.85 -0.12 1.62 -1.08 -1.26 -4.74 116.67 118.49 2cly s ASP 83 Ca 0.71 -2.46 0.07 0.00 -0.52 0.00 0.00 52.55 50.36 2cly s ASP 83 Cb -0.63 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 38.71 2cly s ASP 83 CO 0.45 -1.13 1.16 2.29 0.52 0.00 0.00 175.17 178.46 2cly n LYS 84 N 8.02 3.00 -0.01 4.34 2.85 -1.26 -4.49 118.16 130.60 2cly n LYS 84 Ca 0.46 -1.63 0.05 0.00 -1.05 0.00 0.00 58.31 56.14 2cly n LYS 84 Cb 0.46 -1.88 -0.09 0.00 -0.65 0.00 0.00 35.03 32.87 2cly n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2cly n TYR 85 N 0.34 0.00 -0.88 5.58 4.02 -1.26 -4.76 117.16 120.20 2cly n TYR 85 Ca 0.14 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.70 2cly n TYR 85 Cb 0.73 -0.27 -0.05 0.00 -0.02 0.00 0.00 39.34 39.73 2cly n TYR 85 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2cly n THR 86 N -1.92 1.74 1.07 -0.72 -1.04 -1.26 -4.02 114.28 108.13 2cly n THR 86 Ca -0.03 -1.30 0.13 0.00 -2.04 0.00 0.00 64.05 60.81 2cly n THR 86 Cb 0.32 -2.18 0.41 0.00 -1.82 0.00 0.00 70.33 67.06 2cly n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cly n ALA 87 N 6.38 3.08 0.13 2.41 0.00 -1.26 -4.15 120.51 127.10 2cly n ALA 87 Ca 0.44 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 2cly n ALA 87 Cb 0.29 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 2cly n ALA 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2cly h GLN 88 N 0.16 -0.29 -0.72 0.00 -0.00 -1.99 0.78 115.11 113.07 2cly h GLN 88 Ca 0.00 0.02 0.16 0.00 -0.00 0.00 0.00 58.65 58.83 2cly h GLN 88 Cb 0.48 0.07 -0.14 0.00 -0.00 0.00 0.00 27.48 27.89 2cly h GLN 88 CO 0.00 -0.05 -0.13 0.28 -0.00 0.00 0.00 178.83 178.93 2cly n VAL 89 N -5.13 -0.30 0.37 1.86 0.31 -1.26 0.80 118.33 114.98 2cly n VAL 89 Ca -0.09 1.62 -0.15 0.00 -0.01 0.00 0.00 64.34 65.71 2cly n VAL 89 Cb 0.21 -2.28 -0.07 0.00 -0.91 0.00 0.00 33.84 30.79 2cly n VAL 89 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2cly h ASP 90 N 0.00 -0.82 -0.83 4.52 3.32 -1.66 -1.33 116.42 119.62 2cly h ASP 90 Ca 0.36 0.03 0.24 0.00 0.02 0.00 0.00 57.03 57.68 2cly h ASP 90 Cb 0.61 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 2cly h ASP 90 CO -0.72 -0.46 0.68 0.00 -1.72 0.00 0.00 179.24 177.02 2cly h ALA 91 N -1.31 2.70 0.04 3.45 0.00 0.20 -1.03 119.26 123.30 2cly h ALA 91 Ca -0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2cly h ALA 91 Cb 0.74 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2cly h ALA 91 CO 0.16 -1.11 -0.02 1.49 0.00 0.00 0.00 179.25 179.78 2cly h GLU 92 N 0.00 -0.05 -1.66 0.00 4.81 0.91 -2.57 114.58 116.03 2cly h GLU 92 Ca 0.39 0.00 0.52 0.00 -0.13 0.00 0.00 59.36 60.15 2cly h GLU 92 Cb 1.75 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 31.03 2cly h GLU 92 CO -0.00 -0.03 1.13 1.05 -0.73 0.00 0.00 179.01 180.43 2cly h GLU 93 N -0.07 0.01 0.34 1.92 4.11 -0.42 1.22 114.58 121.69 2cly h GLU 93 Ca -0.01 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2cly h GLU 93 Cb 0.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2cly h GLU 93 CO 0.01 0.00 -0.16 -0.22 0.07 0.00 0.00 179.01 178.71 2cly h LYS 94 N 0.01 -0.44 0.00 1.06 1.63 -1.25 -2.34 116.57 115.23 2cly h LYS 94 Ca 0.91 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.74 2cly h LYS 94 Cb 3.26 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 34.99 2cly h LYS 94 CO -0.26 -0.18 0.00 -0.85 -3.45 0.00 0.00 179.45 174.72 2cly n GLU 95 N -5.20 0.58 -0.01 1.90 0.28 0.42 -1.36 120.64 117.24 2cly n GLU 95 Ca -0.10 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.72 2cly n GLU 95 Cb 0.25 -1.40 -0.14 0.00 1.43 0.00 0.00 31.44 31.58 2cly n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2cly n ASP 96 N -0.90 1.82 -0.25 -1.84 8.00 -0.83 0.78 116.55 123.33 2cly n ASP 96 Ca 0.11 0.23 0.02 0.00 0.71 0.00 0.00 54.79 55.86 2cly n ASP 96 Cb 0.05 -0.64 0.09 0.00 -0.02 0.00 0.00 41.12 40.60 2cly n ASP 96 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2cly h VAL 97 N 0.05 0.27 0.00 2.53 2.07 -0.71 -2.35 116.25 118.11 2cly h VAL 97 Ca -0.40 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2cly h VAL 97 Cb 2.03 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2cly h VAL 97 CO 0.08 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.96 2cly n LYS 98 N -5.47 0.00 0.00 1.57 4.76 -0.80 -3.43 118.16 114.79 2cly n LYS 98 Ca 0.10 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2cly n LYS 98 Cb 0.39 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 2cly n LYS 98 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2cly n SER 99 N -1.36 0.00 0.00 4.39 3.41 0.23 -3.26 113.62 117.03 2cly n SER 99 Ca 0.00 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 2cly n SER 99 Cb 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2cly n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cly h ALA 101 N -1.63 -0.75 0.22 0.00 0.00 -1.56 -1.14 119.26 114.41 2cly h ALA 101 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2cly h ALA 101 Cb 0.00 0.94 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2cly h ALA 101 CO 0.00 -0.91 -0.36 1.49 0.00 0.00 0.00 179.25 179.47 2cly h GLU 102 N -0.40 -0.62 0.10 0.00 4.57 -1.52 0.47 114.58 117.18 2cly h GLU 102 Ca 0.03 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2cly h GLU 102 Cb 0.49 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2cly h GLU 102 CO -0.37 -0.42 -0.05 0.35 -1.18 0.00 0.00 179.01 177.35 2cly h PHE 103 N -0.65 -0.12 -0.91 0.92 3.57 -1.29 -2.62 116.94 115.84 2cly h PHE 103 Ca 0.01 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2cly h PHE 103 Cb 0.64 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 2cly h PHE 103 CO -0.27 -0.05 0.59 -0.07 -2.23 0.00 0.00 178.31 176.28 2cly h LEU 104 N -0.16 0.99 -0.34 0.59 3.38 -0.38 0.17 115.31 119.56 2cly h LEU 104 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2cly h LEU 104 Cb 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2cly h LEU 104 CO 0.02 0.68 0.22 0.74 0.09 0.00 0.00 178.44 180.20 2cly h THR 105 N 1.15 1.10 -0.19 0.22 2.02 0.03 -1.11 112.91 116.12 2cly h THR 105 Ca 0.36 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 2cly h THR 105 Cb -0.00 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2cly h THR 105 CO -0.12 0.09 -0.10 1.56 0.37 0.00 0.00 175.52 177.33 2cly h GLN 106 N 0.46 0.41 -0.75 6.66 4.20 -1.02 -2.44 115.11 122.63 2cly h GLN 106 Ca 0.13 -0.18 0.12 0.00 0.06 0.00 0.00 58.65 58.78 2cly h GLN 106 Cb -0.04 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.65 2cly h GLN 106 CO -0.03 0.71 0.34 1.03 -0.67 0.00 0.00 178.83 180.21 2cly h SER 107 N 0.09 0.38 -0.62 1.46 0.87 -0.56 0.59 113.55 115.77 2cly h SER 107 Ca 0.04 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2cly h SER 107 Cb 0.59 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 2cly h SER 107 CO 0.03 0.18 0.40 0.11 -0.53 0.00 0.00 176.83 177.02 2cly h LYS 108 N 0.53 0.82 -0.46 2.24 1.57 -1.12 0.00 116.57 120.15 2cly h LYS 108 Ca 0.39 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.99 2cly h LYS 108 Cb 0.53 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2cly h LYS 108 CO -0.34 0.56 -0.20 0.00 -0.57 0.00 0.00 179.45 178.89 2cly h THR 109 N 0.83 1.27 -0.63 -0.16 1.03 -0.80 0.85 112.91 115.30 2cly h THR 109 Ca 0.22 -1.34 -0.08 0.00 -0.01 0.00 0.00 66.41 65.20 2cly h THR 109 Cb -0.07 1.12 -0.02 0.00 -1.07 0.00 0.00 68.15 68.10 2cly h THR 109 CO -0.05 0.46 0.08 0.03 -0.01 0.00 0.00 175.52 176.03 2cly h ARG 110 N 0.80 1.06 -0.65 0.00 3.08 -0.66 -1.90 114.38 116.12 2cly h ARG 110 Ca 0.11 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 2cly h ARG 110 Cb 0.75 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2cly h ARG 110 CO 0.06 1.00 0.24 0.97 -1.07 0.00 0.00 179.97 181.17 2cly h ILE 111 N 0.97 1.23 0.19 2.04 -0.00 -0.33 -2.15 117.51 119.47 2cly h ILE 111 Ca 0.19 -0.74 0.01 0.00 -0.00 0.00 0.00 64.86 64.32 2cly h ILE 111 Cb 0.46 0.47 -0.03 0.00 -0.00 0.00 0.00 36.82 37.73 2cly h ILE 111 CO 0.02 0.29 -0.29 1.56 -0.00 0.00 0.00 178.15 179.73 2cly h GLN 112 N 0.94 -0.53 -0.05 2.19 4.20 -0.26 -0.96 115.11 120.64 2cly h GLN 112 Ca 0.22 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 2cly h GLN 112 Cb 0.20 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2cly h GLN 112 CO -0.02 -0.35 0.03 1.05 -0.67 0.00 0.00 178.83 178.87 2cly h GLU 113 N -0.55 0.08 -0.99 1.46 4.11 -1.02 0.39 114.58 118.06 2cly h GLU 113 Ca 0.01 -0.01 0.17 0.00 0.07 0.00 0.00 59.36 59.60 2cly h GLU 113 Cb 0.54 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.60 2cly h GLU 113 CO -0.12 0.15 -0.33 1.88 0.07 0.00 0.00 179.01 180.66 2cly h TYR 114 N -0.02 -0.85 -0.33 2.06 0.99 -1.39 1.93 116.97 119.36 2cly h TYR 114 Ca 0.02 0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.85 2cly h TYR 114 Cb 0.09 0.52 -0.02 0.00 1.00 0.00 0.00 36.73 38.33 2cly h TYR 114 CO -0.04 -0.41 0.22 0.93 -0.00 0.00 0.00 178.16 178.85 2cly h GLU 115 N -0.00 0.44 -0.97 4.88 5.08 0.28 0.74 114.58 125.02 2cly h GLU 115 Ca 0.40 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.77 2cly h GLU 115 Cb 0.65 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 2cly h GLU 115 CO -1.00 0.29 0.63 -0.22 -1.00 0.00 0.00 179.01 177.71 2cly h LYS 116 N 0.45 1.18 0.00 2.33 3.64 0.23 0.15 116.57 124.55 2cly h LYS 116 Ca 0.12 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2cly h LYS 116 Cb -0.05 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.50 2cly h LYS 116 CO -0.03 0.78 -0.22 1.49 -2.27 0.00 0.00 179.45 179.20 2cly h GLU 117 N 1.22 0.00 0.00 1.90 4.57 0.38 -1.41 114.58 121.24 2cly h GLU 117 Ca 0.39 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.44 2cly h GLU 117 Cb 0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 2cly h GLU 117 CO -0.13 0.22 -0.71 -0.07 -1.18 0.00 0.00 179.01 177.14 2cly h LEU 118 N 0.00 0.00 0.00 1.64 3.38 0.08 -3.23 115.31 117.18 2cly h LEU 118 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cly h LEU 118 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2cly h LEU 118 CO 0.03 0.62 0.00 1.21 0.09 0.00 0.00 178.44 180.39 2cly n GLU 119 N -3.21 0.00 -0.33 1.13 4.07 -0.05 -2.05 120.64 120.19 2cly n GLU 119 Ca 0.00 0.57 -0.09 0.00 -0.06 0.00 0.00 57.16 57.59 2cly n GLU 119 Cb 0.79 -1.38 -0.08 0.00 -0.06 0.00 0.00 31.44 30.71 2cly n GLU 119 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2cly n LYS 120 N -1.98 -0.35 0.25 5.31 5.02 -1.07 -0.38 118.16 124.96 2cly n LYS 120 Ca 0.00 1.22 0.18 0.00 -2.02 0.00 0.00 58.31 57.69 2cly n LYS 120 Cb 0.00 -1.80 0.87 0.00 -0.02 0.00 0.00 35.03 34.08 2cly n LYS 120 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2cly h MET 121 N 0.00 0.00 0.00 1.97 2.86 -1.55 0.78 114.93 118.99 2cly h MET 121 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2cly h MET 121 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2cly h MET 121 CO -0.75 0.00 0.00 -2.13 1.06 0.00 0.00 176.91 175.09 2cly n ARG 122 N -3.33 0.21 0.00 1.72 0.63 0.49 -5.10 116.66 111.27 2cly n ARG 122 Ca 0.01 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 2cly n ARG 122 Cb 0.36 -1.89 0.00 0.00 0.45 0.00 0.00 32.46 31.38 2cly n ARG 122 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21