#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xty s ILE 2 N 0.00 5.23 0.06 2.02 -1.09 -1.26 -0.56 121.20 125.59 1xty s ILE 2 Ca 0.00 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 1xty s ILE 2 Cb 0.00 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 1xty s ILE 2 CO 0.00 0.49 -0.05 -0.54 -1.23 0.00 0.00 174.94 173.61 1xty s LYS 3 N -0.33 0.62 -0.06 2.79 1.02 -0.13 -4.68 119.74 118.97 1xty s LYS 3 Ca 0.20 -1.11 0.04 0.00 0.02 0.00 0.00 55.97 55.12 1xty s LYS 3 Cb -0.14 0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.16 1xty s LYS 3 CO 0.08 -0.05 -0.18 1.41 -0.92 0.00 0.00 175.35 175.68 1xty s MET 4 N -3.25 2.63 -0.03 1.68 -2.45 -0.95 -1.41 119.30 115.52 1xty s MET 4 Ca 0.03 -0.78 0.06 0.00 -1.25 0.00 0.00 55.69 53.76 1xty s MET 4 Cb 0.02 -2.33 -0.01 0.00 1.25 0.00 0.00 34.83 33.76 1xty s MET 4 CO -0.06 0.48 -0.23 0.54 1.05 0.00 0.00 175.02 176.80 1xty s VAL 5 N -0.38 1.85 -0.13 10.11 0.11 -0.53 -0.63 120.40 130.80 1xty s VAL 5 Ca 0.03 -0.98 0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1xty s VAL 5 Cb -0.12 -1.55 0.02 0.00 -1.53 0.00 0.00 36.38 33.19 1xty s VAL 5 CO 0.02 0.52 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.52 1xty s ILE 6 N -0.36 1.68 -0.33 7.04 1.09 -0.10 -0.60 121.20 129.62 1xty s ILE 6 Ca 0.04 -0.73 -0.14 0.00 -1.10 0.00 0.00 60.65 58.72 1xty s ILE 6 Cb -0.11 -1.54 -0.02 0.00 -1.06 0.00 0.00 42.46 39.74 1xty s ILE 6 CO 0.01 0.48 0.29 -0.69 -0.10 0.00 0.00 174.94 174.92 1xty s VAL 7 N 1.15 5.24 -0.11 2.92 1.01 0.11 -1.55 120.40 129.16 1xty s VAL 7 Ca -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1xty s VAL 7 Cb -0.14 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1xty s VAL 7 CO -0.06 -0.01 0.07 -0.69 0.00 0.00 0.00 175.10 174.41 1xty s VAL 8 N 1.85 4.87 0.06 2.92 1.01 0.40 -0.94 120.40 130.57 1xty s VAL 8 Ca 0.09 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1xty s VAL 8 Cb -0.17 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1xty s VAL 8 CO 0.11 0.59 1.03 -0.13 0.00 0.00 0.00 175.10 176.70 1xty s ARG 9 N -0.75 4.57 0.00 2.72 0.52 -0.72 -1.67 118.95 123.63 1xty s ARG 9 Ca 0.12 1.53 0.18 0.00 -0.52 0.00 0.00 55.73 57.05 1xty s ARG 9 Cb -0.12 -3.40 -0.14 0.00 0.52 0.00 0.00 34.95 31.81 1xty s ARG 9 CO 0.03 -0.02 0.82 -1.13 0.02 0.00 0.00 175.30 175.02 1xty n SER 10 N 3.47 1.12 -0.28 0.23 3.41 -0.25 -4.39 113.62 116.93 1xty n SER 10 Ca 0.05 -1.06 0.15 0.00 -0.26 0.00 0.00 58.87 57.75 1xty n SER 10 Cb 0.49 0.85 0.67 0.00 -0.26 0.00 0.00 64.21 65.96 1xty n SER 10 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xty n ASP 11 N -1.04 0.90 -4.56 4.04 5.75 -1.26 -4.82 116.55 115.56 1xty n ASP 11 Ca 0.05 -1.25 -0.26 0.00 -0.01 0.00 0.00 54.79 53.32 1xty n ASP 11 Cb 0.31 -0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.31 1xty n ASP 11 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1xty s ILE 12 N -2.05 3.13 -0.59 2.12 -4.36 -1.26 -5.07 121.20 113.11 1xty s ILE 12 Ca 0.40 -1.74 -0.27 0.00 -0.26 0.00 0.00 60.65 58.78 1xty s ILE 12 Cb 0.21 -2.56 0.03 0.00 1.25 0.00 0.00 42.46 41.39 1xty s ILE 12 CO 0.36 -0.15 1.11 -0.54 0.24 0.00 0.00 174.94 175.97 1xty s LYS 13 N -2.93 3.41 -0.04 0.37 1.02 -1.26 -4.99 119.74 115.31 1xty s LYS 13 Ca 0.25 0.01 0.01 0.00 0.02 0.00 0.00 55.97 56.26 1xty s LYS 13 Cb -0.08 -4.05 0.02 0.00 -0.52 0.00 0.00 37.83 33.20 1xty s LYS 13 CO 0.15 -1.67 -0.04 -1.64 -0.92 0.00 0.00 175.35 171.23 1xty s MET 14 N 4.69 0.80 0.87 1.68 -1.94 -1.26 -4.80 119.30 119.33 1xty s MET 14 Ca 0.38 -0.09 -0.13 0.00 -1.71 0.00 0.00 55.69 54.13 1xty s MET 14 Cb -0.09 -0.82 0.20 0.00 2.01 0.00 0.00 34.83 36.12 1xty s MET 14 CO 0.22 -0.09 1.18 0.41 -0.01 0.00 0.00 175.02 176.73 1xty n GLY 15 N 4.07 -1.21 0.28 -0.03 0.00 -1.26 -4.77 105.19 102.27 1xty n GLY 15 Ca -0.24 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 1xty n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xty h LYS 16 N 0.00 -0.39 -0.61 1.61 1.57 -2.01 -1.11 116.57 115.63 1xty h LYS 16 Ca -0.38 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 1xty h LYS 16 Cb 1.09 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 1xty h LYS 16 CO 0.28 -0.26 0.21 0.78 -0.57 0.00 0.00 179.45 179.89 1xty h GLY 17 N -0.41 0.98 0.92 3.86 0.00 -1.99 -2.23 103.07 104.20 1xty h GLY 17 Ca 0.05 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1xty h GLY 17 CO -0.20 0.50 0.05 0.50 0.00 0.00 0.00 176.54 177.38 1xty h LYS 18 N 0.89 0.12 -0.26 4.80 1.79 -1.82 -1.68 116.57 120.41 1xty h LYS 18 Ca 0.20 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.67 1xty h LYS 18 Cb 0.23 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 1xty h LYS 18 CO -0.01 0.18 0.15 0.82 -1.08 0.00 0.00 179.45 179.50 1xty h ILE 19 N 0.04 1.02 -0.92 1.86 2.04 -1.06 -1.19 117.51 119.29 1xty h ILE 19 Ca 0.03 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1xty h ILE 19 Cb 0.09 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 1xty h ILE 19 CO -0.00 0.06 0.58 0.00 0.00 0.00 0.00 178.15 178.78 1xty h ALA 20 N 1.12 1.29 -0.51 1.87 0.00 -1.28 0.16 119.26 121.91 1xty h ALA 20 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1xty h ALA 20 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1xty h ALA 20 CO -0.05 0.32 0.08 0.00 0.00 0.00 0.00 179.25 179.59 1xty h ALA 21 N 1.44 0.68 -0.52 0.00 0.00 -0.77 -1.30 119.26 118.79 1xty h ALA 21 Ca 0.41 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1xty h ALA 21 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xty h ALA 21 CO -0.19 0.42 -0.05 1.96 0.00 0.00 0.00 179.25 181.39 1xty h GLN 22 N 0.72 0.95 -0.54 0.00 1.08 -0.46 -1.51 115.11 115.36 1xty h GLN 22 Ca 0.15 -0.33 -0.07 0.00 -1.45 0.00 0.00 58.65 56.96 1xty h GLN 22 Cb 0.41 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1xty h GLN 22 CO 0.01 0.99 0.08 0.28 -0.95 0.00 0.00 178.83 179.24 1xty h VAL 23 N 0.81 1.25 -0.20 -0.54 2.07 -0.90 -1.41 116.25 117.34 1xty h VAL 23 Ca 0.14 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 1xty h VAL 23 Cb 0.59 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1xty h VAL 23 CO 0.04 0.35 -0.09 0.00 0.02 0.00 0.00 177.57 177.88 1xty h ALA 24 N 0.98 1.47 -0.33 1.67 0.00 -1.10 -1.14 119.26 120.82 1xty h ALA 24 Ca 0.16 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1xty h ALA 24 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xty h ALA 24 CO 0.01 0.37 -0.06 1.25 0.00 0.00 0.00 179.25 180.82 1xty h HIS 25 N 0.30 0.69 -0.42 0.00 6.17 -0.80 -1.51 115.15 119.57 1xty h HIS 25 Ca 0.06 -0.14 -0.02 0.00 0.71 0.00 0.00 60.37 60.98 1xty h HIS 25 Cb 0.36 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.10 1xty h HIS 25 CO 0.01 0.78 0.19 0.00 0.71 0.00 0.00 177.93 179.62 1xty h ALA 26 N 0.81 0.55 -0.33 5.26 0.00 -0.77 -1.29 119.26 123.49 1xty h ALA 26 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xty h ALA 26 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xty h ALA 26 CO 0.03 0.12 0.08 0.00 0.00 0.00 0.00 179.25 179.48 1xty h ALA 27 N 1.04 0.44 -0.48 0.00 0.00 -1.15 -1.90 119.26 117.20 1xty h ALA 27 Ca 0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1xty h ALA 27 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xty h ALA 27 CO -0.02 0.10 -0.02 0.28 0.00 0.00 0.00 179.25 179.59 1xty h VAL 28 N 0.38 1.26 -0.75 0.00 2.07 -1.22 -2.11 116.25 115.88 1xty h VAL 28 Ca 0.10 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.56 1xty h VAL 28 Cb 0.29 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1xty h VAL 28 CO 0.00 0.39 0.47 0.74 0.02 0.00 0.00 177.57 179.19 1xty h THR 29 N 0.72 1.08 0.20 2.57 2.02 -1.12 -0.74 112.91 117.64 1xty h THR 29 Ca 0.13 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1xty h THR 29 Cb 0.54 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1xty h THR 29 CO 0.03 0.16 -0.10 -0.07 0.37 0.00 0.00 175.52 175.92 1xty h LEU 30 N 0.90 -0.23 -0.34 2.58 3.38 -1.14 -0.90 115.31 119.57 1xty h LEU 30 Ca 0.31 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1xty h LEU 30 Cb 0.05 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1xty h LEU 30 CO -0.13 -0.10 0.19 0.58 0.09 0.00 0.00 178.44 179.07 1xty h VAL 31 N -0.35 1.02 -0.71 1.22 2.07 -1.10 -1.44 116.25 116.96 1xty h VAL 31 Ca -0.03 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1xty h VAL 31 Cb 0.27 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1xty h VAL 31 CO 0.05 0.07 0.19 0.58 0.02 0.00 0.00 177.57 178.48 1xty h VAL 32 N 0.38 1.26 -0.72 2.57 2.07 -1.11 -1.33 116.25 119.38 1xty h VAL 32 Ca 0.14 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1xty h VAL 32 Cb 0.02 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1xty h VAL 32 CO -0.07 0.36 0.36 0.77 0.02 0.00 0.00 177.57 179.01 1xty h SER 33 N 1.05 0.92 -0.25 0.57 4.64 -0.81 -1.09 113.55 118.59 1xty h SER 33 Ca 0.22 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.32 1xty h SER 33 Cb 0.35 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1xty h SER 33 CO -0.00 0.77 -0.36 0.40 -0.87 0.00 0.00 176.83 176.76 1xty h ILE 34 N 1.02 1.31 -0.68 0.95 2.04 -0.94 -2.25 117.51 118.96 1xty h ILE 34 Ca 0.25 -1.56 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 1xty h ILE 34 Cb 0.08 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1xty h ILE 34 CO -0.03 0.49 0.34 0.40 0.00 0.00 0.00 178.15 179.35 1xty h ILE 35 N 0.41 1.22 -0.01 -0.67 2.04 -0.94 -2.31 117.51 117.24 1xty h ILE 35 Ca 0.03 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1xty h ILE 35 Cb 0.95 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1xty h ILE 35 CO 0.08 0.25 -0.02 0.59 0.00 0.00 0.00 178.15 179.06 1xty n ASN 36 N -4.34 0.93 -4.45 1.72 3.02 -0.44 -4.89 115.26 106.81 1xty n ASN 36 Ca 0.06 -1.25 -0.26 0.00 -0.03 0.00 0.00 54.58 53.11 1xty n ASN 36 Cb 0.13 -0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.44 1xty n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1xty s SER 37 N -2.06 3.82 -0.15 6.41 1.04 -0.85 -5.00 113.70 116.91 1xty s SER 37 Ca 0.40 -0.19 0.18 0.00 0.48 0.00 0.00 55.95 56.82 1xty s SER 37 Cb 0.21 -0.03 0.36 0.00 0.10 0.00 0.00 66.02 66.66 1xty s SER 37 CO 0.36 -2.24 1.22 -0.46 0.98 0.00 0.00 173.24 173.11 1xty n ASN 38 N -3.20 2.68 -4.45 7.02 6.94 -1.26 -4.96 115.26 118.02 1xty n ASN 38 Ca 0.16 -3.13 -0.43 0.00 -0.02 0.00 0.00 54.58 51.16 1xty n ASN 38 Cb 0.60 -0.47 -0.04 0.00 -2.36 0.00 0.00 39.78 37.51 1xty n ASN 38 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xty s ASN 39 N -2.67 6.20 0.31 0.53 3.04 -1.26 -4.93 114.94 116.15 1xty s ASN 39 Ca 0.35 -0.95 -0.01 0.00 0.04 0.00 0.00 52.86 52.29 1xty s ASN 39 Cb 0.30 -2.40 0.47 0.00 -1.54 0.00 0.00 41.25 38.08 1xty s ASN 39 CO 0.04 -1.35 1.95 -0.07 -3.04 0.00 0.00 177.10 174.64 1xty h LEU 40 N 11.06 0.88 -0.32 3.21 3.38 -1.97 -1.93 115.31 129.62 1xty h LEU 40 Ca -0.28 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1xty h LEU 40 Cb 1.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1xty h LEU 40 CO 1.15 0.67 -0.00 -0.09 0.09 0.00 0.00 178.44 180.26 1xty h ARG 41 N 1.02 0.56 -0.72 1.13 2.43 -1.99 -0.91 114.38 115.90 1xty h ARG 41 Ca 0.27 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1xty h ARG 41 Cb -0.06 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1xty h ARG 41 CO -0.05 0.69 0.47 -1.49 -1.51 0.00 0.00 179.97 178.08 1xty h TRP 42 N 0.36 0.89 -0.32 2.20 4.06 -1.90 -0.92 115.95 120.32 1xty h TRP 42 Ca 0.09 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 61.01 1xty h TRP 42 Cb 0.44 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 1xty h TRP 42 CO 0.04 0.55 -0.02 0.87 -3.56 0.00 0.00 178.44 176.31 1xty h LYS 43 N 0.95 0.50 -0.24 0.49 1.57 -1.14 -0.13 116.57 118.56 1xty h LYS 43 Ca 0.27 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1xty h LYS 43 Cb -0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1xty h LYS 43 CO -0.07 0.54 0.02 1.49 -0.57 0.00 0.00 179.45 180.86 1xty h GLU 44 N 0.48 0.42 -0.96 3.15 4.57 -0.50 -1.37 114.58 120.37 1xty h GLU 44 Ca 0.10 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1xty h GLU 44 Cb 0.35 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 1xty h GLU 44 CO 0.01 0.57 0.61 -1.49 -1.18 0.00 0.00 179.01 177.53 1xty h TRP 45 N 0.21 1.25 -0.43 0.92 6.55 -0.64 -1.59 115.95 122.22 1xty h TRP 45 Ca 0.07 0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.88 1xty h TRP 45 Cb 0.37 -0.41 -0.02 0.00 -0.86 0.00 0.00 29.16 28.24 1xty h TRP 45 CO 0.03 0.81 0.11 1.25 -1.05 0.00 0.00 178.44 179.59 1xty h LEU 46 N 1.32 0.64 -0.54 -4.49 5.85 -0.84 0.43 115.31 117.68 1xty h LEU 46 Ca 0.35 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1xty h LEU 46 Cb -0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1xty h LEU 46 CO -0.07 0.71 0.28 -1.13 -0.34 0.00 0.00 178.44 177.89 1xty h ASN 47 N 0.55 0.70 -0.57 1.25 -1.24 -0.93 -1.44 115.58 113.89 1xty h ASN 47 Ca 0.13 -0.11 -0.11 0.00 0.71 0.00 0.00 56.30 56.93 1xty h ASN 47 Cb 0.31 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1xty h ASN 47 CO 0.00 0.61 -0.05 -0.33 -1.29 0.00 0.00 177.43 176.36 1xty h GLU 48 N 0.73 1.05 -0.50 6.67 5.08 -1.14 -2.16 114.58 124.31 1xty h GLU 48 Ca 0.19 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1xty h GLU 48 Cb 0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1xty h GLU 48 CO -0.03 1.06 0.32 2.35 -1.00 0.00 0.00 179.01 181.71 1xty h TRP 49 N 0.95 0.64 -0.58 4.33 7.01 -0.60 -0.11 115.95 127.59 1xty h TRP 49 Ca 0.16 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 1xty h TRP 49 Cb 0.62 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 1xty h TRP 49 CO 0.04 0.42 0.19 -0.07 -2.79 0.00 0.00 178.44 176.24 1xty h LEU 50 N 0.68 0.83 -1.81 0.65 3.38 -1.16 0.40 115.31 118.28 1xty h LEU 50 Ca 0.18 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1xty h LEU 50 Cb -0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1xty h LEU 50 CO -0.04 0.81 -0.14 0.45 0.09 0.00 0.00 178.44 179.61 1xty h HIS 51 N 0.81 0.00 -0.07 1.13 3.86 -0.96 -2.37 115.15 117.55 1xty h HIS 51 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1xty h HIS 51 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1xty h HIS 51 CO 0.02 0.14 0.00 1.04 0.86 0.00 0.00 177.93 179.98 1xty n GLN 52 N -3.65 1.85 -0.03 2.45 6.02 -0.09 -4.94 117.38 119.00 1xty n GLN 52 Ca -0.02 -1.25 0.00 0.00 -0.01 0.00 0.00 57.00 55.72 1xty n GLN 52 Cb 0.26 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.06 1xty n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xty n GLY 53 N 1.22 0.98 3.91 1.08 0.00 -0.89 -4.55 105.19 106.94 1xty n GLY 53 Ca 0.18 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1xty n GLY 53 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xty n GLN 54 N -2.03 -5.03 -1.72 1.61 6.02 0.08 -4.88 117.38 111.44 1xty n GLN 54 Ca 0.00 0.57 -0.43 0.00 -0.01 0.00 0.00 57.00 57.13 1xty n GLN 54 Cb 0.00 -5.33 -0.03 0.00 1.02 0.00 0.00 30.24 25.91 1xty n GLN 54 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1xty n PRO 55 N -4.56 2.67 -4.63 -1.09 -0.04 -1.26 -4.93 135.00 121.15 1xty n PRO 55 Ca -0.04 0.96 -0.23 0.00 -0.04 0.00 0.00 63.50 64.14 1xty n PRO 55 Cb 0.56 -2.77 -0.15 0.00 -0.04 0.00 0.00 33.50 31.10 1xty n PRO 55 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1xty s LYS 56 N 0.66 1.22 -0.18 0.54 1.02 -1.26 -2.23 119.74 119.51 1xty s LYS 56 Ca 0.72 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 56.01 1xty s LYS 56 Cb -0.53 -1.22 -0.01 0.00 -0.52 0.00 0.00 37.83 35.56 1xty s LYS 56 CO 0.38 0.32 -0.09 0.42 -0.92 0.00 0.00 175.35 175.45 1xty s ILE 57 N -0.58 3.08 -0.30 2.17 1.01 0.20 -4.97 121.20 121.80 1xty s ILE 57 Ca 0.05 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 1xty s ILE 57 Cb -0.07 -2.35 0.03 0.00 0.01 0.00 0.00 42.46 40.07 1xty s ILE 57 CO 0.00 0.47 0.06 -0.63 0.00 0.00 0.00 174.94 174.85 1xty s ILE 58 N 1.08 3.63 0.47 2.92 1.01 -1.26 -0.92 121.20 128.12 1xty s ILE 58 Ca 0.00 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1xty s ILE 58 Cb -0.15 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1xty s ILE 58 CO -0.02 -0.02 0.04 0.68 0.00 0.00 0.00 174.94 175.62 1xty s VAL 59 N 1.41 1.60 0.11 2.92 -7.23 -0.60 -1.12 120.40 117.49 1xty s VAL 59 Ca -0.00 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 1xty s VAL 59 Cb -0.18 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1xty s VAL 59 CO 0.01 0.00 -0.10 -1.59 -0.31 0.00 0.00 175.10 173.12 1xty s LYS 60 N -3.84 0.89 0.03 4.82 -2.85 -0.27 -0.46 119.74 118.08 1xty s LYS 60 Ca 0.21 -1.25 -0.00 0.00 -1.00 0.00 0.00 55.97 53.93 1xty s LYS 60 Cb 0.05 -0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 35.28 1xty s LYS 60 CO 0.11 0.07 -0.03 0.14 0.10 0.00 0.00 175.35 175.74 1xty s VAL 61 N -2.83 0.18 -0.29 1.79 -7.23 -0.67 -4.20 120.40 107.15 1xty s VAL 61 Ca 0.09 -1.30 0.11 0.00 -1.81 0.00 0.00 61.98 59.07 1xty s VAL 61 Cb -0.00 -0.81 0.58 0.00 0.56 0.00 0.00 36.38 36.71 1xty s VAL 61 CO -0.01 -0.71 1.58 -0.46 -0.31 0.00 0.00 175.10 175.20 1xty n ASN 62 N 0.96 3.50 -3.50 4.85 2.04 -1.26 -1.09 115.26 120.75 1xty n ASN 62 Ca -0.20 -3.44 -0.15 0.00 -0.44 0.00 0.00 54.58 50.35 1xty n ASN 62 Cb 0.58 -0.66 -0.04 0.00 -2.53 0.00 0.00 39.78 37.12 1xty n ASN 62 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1xty s SER 63 N -1.91 -0.56 0.18 0.53 1.04 -1.26 -4.44 113.70 107.27 1xty s SER 63 Ca 0.48 0.31 -0.04 0.00 0.48 0.00 0.00 55.95 57.18 1xty s SER 63 Cb 0.41 0.55 0.09 0.00 0.10 0.00 0.00 66.02 67.16 1xty s SER 63 CO 0.06 -0.76 1.50 0.25 0.98 0.00 0.00 173.24 175.27 1xty h LEU 64 N 2.60 0.69 -1.27 2.42 5.85 -1.96 -3.08 115.31 120.56 1xty h LEU 64 Ca -0.30 -0.36 0.11 0.00 0.84 0.00 0.00 57.88 58.17 1xty h LEU 64 Cb 1.22 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 1xty h LEU 64 CO 0.39 1.08 0.56 0.44 -0.34 0.00 0.00 178.44 180.57 1xty h ASP 65 N 0.49 0.71 0.26 1.25 3.32 -2.00 -0.06 116.42 120.39 1xty h ASP 65 Ca 0.02 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 1xty h ASP 65 Cb 1.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1xty h ASP 65 CO 0.10 0.40 -0.41 -0.08 -1.72 0.00 0.00 179.24 177.53 1xty h GLU 66 N 0.77 0.20 -0.34 3.56 4.81 -1.96 -1.67 114.58 119.96 1xty h GLU 66 Ca 0.41 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.51 1xty h GLU 66 Cb 0.52 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1xty h GLU 66 CO -0.18 0.58 0.05 0.82 -0.73 0.00 0.00 179.01 179.56 1xty h ILE 67 N 0.17 1.24 -0.78 2.32 1.08 -1.03 -2.35 117.51 118.16 1xty h ILE 67 Ca 0.02 -0.83 -0.05 0.00 -0.39 0.00 0.00 64.86 63.60 1xty h ILE 67 Cb 0.80 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 35.65 1xty h ILE 67 CO 0.06 0.28 0.29 0.40 -0.69 0.00 0.00 178.15 178.49 1xty h ILE 68 N 0.39 1.26 -0.39 -0.67 1.08 -1.11 -1.00 117.51 117.07 1xty h ILE 68 Ca 0.10 -0.84 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 1xty h ILE 68 Cb 0.36 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 1xty h ILE 68 CO 0.01 0.34 0.26 0.28 -0.69 0.00 0.00 178.15 178.34 1xty h SER 69 N 1.14 0.44 -0.25 1.72 0.02 -1.15 -1.20 113.55 114.26 1xty h SER 69 Ca 0.26 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.08 1xty h SER 69 Cb 0.24 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1xty h SER 69 CO -0.02 0.32 -0.26 0.03 -1.14 0.00 0.00 176.83 175.76 1xty h ARG 70 N 0.53 0.74 -0.89 3.45 2.47 -1.19 -2.49 114.38 117.00 1xty h ARG 70 Ca 0.15 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.53 1xty h ARG 70 Cb -0.05 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.20 1xty h ARG 70 CO -0.04 0.92 0.46 0.00 0.56 0.00 0.00 179.97 181.88 1xty h ALA 71 N 1.07 1.14 -0.41 0.04 0.00 -0.82 -1.27 119.26 119.00 1xty h ALA 71 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xty h ALA 71 Cb 0.77 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1xty h ALA 71 CO 0.06 0.67 0.24 -0.22 0.00 0.00 0.00 179.25 180.00 1xty h LYS 72 N 1.25 0.57 -0.63 0.00 3.11 -0.97 -1.15 116.57 118.76 1xty h LYS 72 Ca 0.31 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 58.07 1xty h LYS 72 Cb 0.07 -0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.15 1xty h LYS 72 CO -0.05 0.44 0.31 0.87 -2.81 0.00 0.00 179.45 178.22 1xty h LYS 73 N 0.54 0.89 -0.65 1.90 1.79 -1.03 -1.13 116.57 118.87 1xty h LYS 73 Ca 0.15 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1xty h LYS 73 Cb 0.03 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.49 1xty h LYS 73 CO -0.03 0.71 0.38 0.00 -1.08 0.00 0.00 179.45 179.43 1xty h ALA 74 N 1.14 0.83 -0.37 3.86 0.00 -0.93 -1.78 119.26 122.01 1xty h ALA 74 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xty h ALA 74 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xty h ALA 74 CO -0.03 0.32 0.14 1.49 0.00 0.00 0.00 179.25 181.17 1xty h GLU 75 N 0.89 0.56 0.00 0.00 4.22 -0.94 -1.26 114.58 118.05 1xty h GLU 75 Ca 0.23 -0.11 -0.04 0.00 0.08 0.00 0.00 59.36 59.52 1xty h GLU 75 Cb -0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1xty h GLU 75 CO -0.04 0.55 -0.20 1.79 -2.18 0.00 0.00 179.01 178.93 1xty h THR 76 N 0.45 0.65 -0.23 0.32 1.35 -1.03 -1.91 112.91 112.52 1xty h THR 76 Ca 0.12 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1xty h THR 76 Cb 0.21 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1xty h THR 76 CO -0.01 0.20 0.00 0.23 -0.25 0.00 0.00 175.52 175.69 1xty n MET 77 N -3.58 1.77 -3.69 4.72 2.81 -0.69 -4.93 117.12 113.54 1xty n MET 77 Ca -0.01 -1.17 -0.24 0.00 -1.81 0.00 0.00 57.70 54.47 1xty n MET 77 Cb 0.35 -1.36 0.06 0.00 -0.71 0.00 0.00 33.22 31.55 1xty n MET 77 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xty n ASN 78 N 0.40 -4.16 -4.74 7.83 3.02 -0.72 -5.00 115.26 111.89 1xty n ASN 78 Ca 0.15 -0.68 -0.28 0.00 -0.03 0.00 0.00 54.58 53.74 1xty n ASN 78 Cb 0.32 -4.51 -0.07 0.00 -0.61 0.00 0.00 39.78 34.91 1xty n ASN 78 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xty s LEU 79 N -7.02 3.63 0.34 3.41 1.43 -0.52 -5.04 118.68 114.92 1xty s LEU 79 Ca 0.40 -0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 53.06 1xty s LEU 79 Cb -0.19 -2.30 -0.10 0.00 0.03 0.00 0.00 46.19 43.63 1xty s LEU 79 CO 0.78 0.13 1.25 -2.84 0.23 0.00 0.00 176.35 175.89 1xty s PRO 80 N -2.69 4.30 0.04 1.29 0.02 -1.26 -4.55 135.00 132.16 1xty s PRO 80 Ca 0.29 2.07 -0.12 0.00 0.02 0.00 0.00 61.00 63.26 1xty s PRO 80 Cb -0.11 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.44 1xty s PRO 80 CO 0.21 -0.18 0.27 -0.59 -0.33 0.00 0.00 177.00 176.37 1xty s PHE 81 N -1.21 -0.05 -0.04 6.54 -0.12 -1.26 -0.98 117.98 120.86 1xty s PHE 81 Ca 0.51 -0.11 -0.01 0.00 -0.05 0.00 0.00 56.93 57.26 1xty s PHE 81 Cb -0.37 0.05 0.03 0.00 -0.63 0.00 0.00 43.02 42.11 1xty s PHE 81 CO 0.48 -0.48 0.06 -1.54 -0.05 0.00 0.00 175.22 173.69 1xty s SER 82 N -2.06 0.54 -0.35 1.98 1.04 0.27 -4.95 113.70 110.16 1xty s SER 82 Ca -0.05 0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.34 1xty s SER 82 Cb -0.01 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 1xty s SER 82 CO -0.03 -0.19 0.25 -0.63 0.98 0.00 0.00 173.24 173.62 1xty s ILE 83 N 1.61 5.26 -0.14 -1.02 1.01 -1.26 -0.52 121.20 126.13 1xty s ILE 83 Ca -0.03 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.22 1xty s ILE 83 Cb -0.12 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 1xty s ILE 83 CO -0.03 -0.06 0.20 -0.63 0.00 0.00 0.00 174.94 174.41 1xty s ILE 84 N 1.71 5.38 0.03 2.92 -1.09 -0.51 -5.04 121.20 124.61 1xty s ILE 84 Ca 0.06 0.34 0.08 0.00 -2.23 0.00 0.00 60.65 58.90 1xty s ILE 84 Cb -0.18 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 1xty s ILE 84 CO 0.10 0.50 -0.24 -1.61 -1.23 0.00 0.00 174.94 172.46 1xty s GLU 85 N -0.22 1.72 0.62 2.79 2.02 -1.26 -1.11 118.70 123.26 1xty s GLU 85 Ca 0.14 -1.00 -0.18 0.00 0.02 0.00 0.00 54.97 53.94 1xty s GLU 85 Cb -0.12 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.26 1xty s GLU 85 CO 0.03 0.48 1.25 0.34 0.02 0.00 0.00 175.26 177.37 1xty s ASP 86 N -1.06 4.91 0.00 -0.19 -1.08 0.69 -4.75 116.67 115.19 1xty s ASP 86 Ca 0.10 2.50 0.27 0.00 -0.52 0.00 0.00 52.55 54.90 1xty s ASP 86 Cb -0.09 -2.61 0.97 0.00 -1.46 0.00 0.00 42.92 39.73 1xty s ASP 86 CO 0.01 -1.79 1.70 0.00 0.52 0.00 0.00 175.17 175.62 1xty n ALA 87 N -1.74 2.95 -2.62 3.66 0.00 -1.26 -1.14 120.51 120.36 1xty n ALA 87 Ca 0.15 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 53.11 1xty n ALA 87 Cb 0.49 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.70 1xty n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xty n GLY 88 N 1.35 -0.26 0.11 0.00 0.00 -1.26 -4.61 105.19 100.52 1xty n GLY 88 Ca 0.12 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1xty n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xty h LYS 89 N -0.63 0.00 0.00 1.61 1.79 -1.93 -3.42 116.57 113.99 1xty h LYS 89 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1xty h LYS 89 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1xty h LYS 89 CO 0.44 0.00 0.00 -2.37 -1.08 0.00 0.00 179.45 176.44 1xty n THR 90 N -2.46 0.00 -0.30 -0.16 5.66 -1.26 -5.04 114.28 110.72 1xty n THR 90 Ca 0.03 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.95 1xty n THR 90 Cb 0.48 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.19 1xty n THR 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xty n GLN 91 N 0.00 -0.32 -1.67 1.09 6.02 -1.26 -4.57 117.38 116.66 1xty n GLN 91 Ca 0.00 1.12 -0.41 0.00 -0.01 0.00 0.00 57.00 57.69 1xty n GLN 91 Cb 0.00 -1.64 0.01 0.00 1.02 0.00 0.00 30.24 29.63 1xty n GLN 91 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xty n LEU 92 N -4.87 3.55 -4.77 1.08 4.77 -1.26 -4.96 117.00 110.53 1xty n LEU 92 Ca 0.01 1.10 -0.38 0.00 -0.03 0.00 0.00 56.01 56.71 1xty n LEU 92 Cb 0.19 -1.45 -0.04 0.00 -2.33 0.00 0.00 43.42 39.79 1xty n LEU 92 CO -0.12 -0.87 0.76 -1.61 -1.33 0.00 0.00 177.39 174.22 1xty s GLU 93 N -2.11 4.34 0.59 3.23 0.41 -1.26 -4.22 118.70 119.68 1xty s GLU 93 Ca 0.61 1.64 -0.20 0.00 -0.41 0.00 0.00 54.97 56.61 1xty s GLU 93 Cb -0.53 -2.79 -0.03 0.00 -1.78 0.00 0.00 34.13 28.99 1xty s GLU 93 CO 0.58 -0.02 1.31 -2.14 -0.49 0.00 0.00 175.26 174.50 1xty s PRO 94 N -2.08 2.89 0.00 0.39 0.02 -1.26 -2.45 135.00 132.50 1xty s PRO 94 Ca 0.53 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1xty s PRO 94 Cb -0.26 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.21 1xty s PRO 94 CO 0.33 -1.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.06 1xty n GLY 95 N 0.77 1.42 3.70 0.52 0.00 -0.29 -4.89 105.19 106.41 1xty n GLY 95 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1xty n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xty s THR 96 N -2.47 3.53 -0.04 2.61 2.01 -1.03 -4.68 115.64 115.58 1xty s THR 96 Ca 0.00 1.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 1xty s THR 96 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1xty s THR 96 CO 0.00 0.03 1.28 -0.63 -0.69 0.00 0.00 174.62 174.61 1xty s ILE 97 N 1.89 4.04 -0.15 1.82 1.01 -1.26 -0.23 121.20 128.33 1xty s ILE 97 Ca 0.65 1.38 0.07 0.00 0.00 0.00 0.00 60.65 62.75 1xty s ILE 97 Cb -0.34 -3.89 -0.14 0.00 0.01 0.00 0.00 42.46 38.10 1xty s ILE 97 CO 0.28 -0.01 -0.05 0.35 0.00 0.00 0.00 174.94 175.51 1xty n THR 98 N 4.68 0.94 -3.78 2.92 -2.24 -0.27 -4.94 114.28 111.60 1xty n THR 98 Ca 0.12 -0.47 -0.07 0.00 -2.27 0.00 0.00 64.05 61.36 1xty n THR 98 Cb 0.45 -0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 1xty n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xty s LEU 100 N -2.89 1.55 -0.04 0.00 2.96 -0.11 -1.42 118.68 118.72 1xty s LEU 100 Ca 0.10 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1xty s LEU 100 Cb -0.05 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 1xty s LEU 100 CO 0.03 0.00 0.02 -0.83 -1.32 0.00 0.00 176.35 174.25 1xty s GLY 101 N 0.85 1.89 -0.02 7.98 0.00 0.33 0.04 107.32 118.39 1xty s GLY 101 Ca -0.11 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.75 1xty s GLY 101 CO 0.02 -0.69 -0.02 -0.42 0.00 0.00 0.00 173.10 171.98 1xty s ILE 102 N -1.01 0.31 0.00 0.90 1.01 0.23 -0.56 121.20 122.08 1xty s ILE 102 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1xty s ILE 102 Cb -0.11 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.01 1xty s ILE 102 CO 0.07 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1xty n GLY 103 N 3.74 -1.63 3.76 6.18 0.00 -0.16 -1.46 105.19 115.62 1xty n GLY 103 Ca -0.22 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.36 1xty n GLY 103 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xty s PRO 104 N 0.00 3.35 0.20 1.61 0.02 -1.26 -4.64 135.00 134.28 1xty s PRO 104 Ca 0.00 2.29 -0.21 0.00 0.02 0.00 0.00 61.00 63.10 1xty s PRO 104 Cb 0.00 -2.40 0.05 0.00 0.02 0.00 0.00 34.50 32.17 1xty s PRO 104 CO 0.00 -1.05 0.62 0.00 -0.33 0.00 0.00 177.00 176.25 1xty s ALA 105 N -1.27 -1.37 0.27 -1.55 0.00 -0.50 -4.70 121.76 112.64 1xty s ALA 105 Ca 0.68 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1xty s ALA 105 Cb -0.41 0.87 -0.14 0.00 0.00 0.00 0.00 23.12 23.44 1xty s ALA 105 CO 0.51 -0.86 1.17 -2.30 0.00 0.00 0.00 175.76 174.28 1xty n PRO 106 N -0.40 1.63 -0.27 0.00 -0.02 -1.26 -0.95 135.00 133.72 1xty n PRO 106 Ca -0.12 0.57 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 1xty n PRO 106 Cb 0.63 -2.07 0.20 0.00 -0.02 0.00 0.00 33.50 32.24 1xty n PRO 106 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xty h GLU 107 N 2.77 0.13 -0.03 -0.52 4.81 -1.17 -1.09 114.58 119.47 1xty h GLU 107 Ca -0.43 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.74 1xty h GLU 107 Cb 1.32 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1xty h GLU 107 CO 0.65 0.08 -0.23 -0.91 -0.73 0.00 0.00 179.01 177.88 1xty h ASN 108 N 0.13 0.05 -0.04 1.04 4.21 -1.89 0.14 115.58 119.22 1xty h ASN 108 Ca 0.46 -0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.90 1xty h ASN 108 Cb 0.85 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.05 1xty h ASN 108 CO -0.68 0.28 -0.22 -0.07 -1.29 0.00 0.00 177.43 175.45 1xty h LEU 109 N 0.05 0.26 -0.41 1.61 3.38 -1.57 -2.47 115.31 116.17 1xty h LEU 109 Ca 0.01 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 1xty h LEU 109 Cb 0.43 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1xty h LEU 109 CO 0.03 0.89 0.15 0.58 0.09 0.00 0.00 178.44 180.18 1xty h VAL 110 N -0.35 1.20 0.00 1.22 2.07 -1.20 -2.82 116.25 116.37 1xty h VAL 110 Ca -0.02 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1xty h VAL 110 Cb 0.89 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1xty h VAL 110 CO 0.05 0.23 -0.11 0.44 0.02 0.00 0.00 177.57 178.19 1xty h ASP 111 N 0.51 0.00 0.70 0.57 3.32 -0.78 -0.99 116.42 119.76 1xty h ASP 111 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1xty h ASP 111 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1xty h ASP 111 CO -0.01 0.11 0.00 0.77 -1.72 0.00 0.00 179.24 178.40 1xty h SER 112 N 0.00 0.00 0.00 6.45 4.64 -1.17 0.28 113.55 123.75 1xty h SER 112 Ca -0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1xty h SER 112 Cb 0.41 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.43 1xty h SER 112 CO 0.01 0.00 -2.48 -0.38 -0.87 0.00 0.00 176.83 173.11 1xty n ILE 113 N -2.86 1.51 0.16 0.95 5.41 -0.46 -4.74 119.36 119.32 1xty n ILE 113 Ca 0.00 -0.53 0.02 0.00 1.00 0.00 0.00 62.75 63.25 1xty n ILE 113 Cb 0.23 -1.54 0.02 0.00 -0.71 0.00 0.00 39.64 37.64 1xty n ILE 113 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1xty n THR 114 N -3.51 0.02 0.28 1.39 -2.24 -0.67 -4.74 114.28 104.82 1xty n THR 114 Ca -0.48 -0.51 0.13 0.00 -2.27 0.00 0.00 64.05 60.92 1xty n THR 114 Cb 0.97 1.07 0.71 0.00 -2.10 0.00 0.00 70.33 70.98 1xty n THR 114 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xty h GLY 115 N 0.80 0.00 -1.33 3.38 0.00 -0.64 -0.29 103.07 104.99 1xty h GLY 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xty h GLY 115 CO 0.00 0.00 -0.02 2.09 0.00 0.00 0.00 176.54 178.61 1xty n ASP 116 N -2.65 2.39 -4.87 0.19 5.75 -1.26 -4.96 116.55 111.14 1xty n ASP 116 Ca -0.02 -1.78 -0.33 0.00 -0.01 0.00 0.00 54.79 52.66 1xty n ASP 116 Cb 0.32 0.02 -0.05 0.00 -1.03 0.00 0.00 41.12 40.38 1xty n ASP 116 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xty s LEU 117 N -2.03 4.20 0.31 -2.12 1.43 -0.12 -5.07 118.68 115.28 1xty s LEU 117 Ca 0.31 0.95 -0.23 0.00 -1.03 0.00 0.00 54.13 54.13 1xty s LEU 117 Cb 0.20 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.73 1xty s LEU 117 CO 0.33 -0.04 0.87 -0.54 0.23 0.00 0.00 176.35 177.20 1xty s LYS 118 N -2.65 4.40 0.56 1.70 1.02 -1.26 -4.89 119.74 118.62 1xty s LYS 118 Ca 0.45 1.13 -0.20 0.00 0.02 0.00 0.00 55.97 57.38 1xty s LYS 118 Cb -0.12 -2.70 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 1xty s LYS 118 CO 0.21 0.25 1.18 -0.51 -0.92 0.00 0.00 175.35 175.56 1xty s LEU 119 N -2.27 3.74 0.00 3.17 1.43 -1.26 -1.11 118.68 122.37 1xty s LEU 119 Ca 0.50 2.31 0.31 0.00 -1.03 0.00 0.00 54.13 56.23 1xty s LEU 119 Cb -0.16 -4.55 1.88 0.00 0.03 0.00 0.00 46.19 43.39 1xty s LEU 119 CO 0.21 -1.38 2.20 -0.11 0.23 0.00 0.00 176.35 177.50