#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qam s ALA 2 N 0.00 3.35 -0.12 0.00 0.00 -1.26 -4.96 121.76 118.78 2qam s ALA 2 Ca 0.00 0.68 0.21 0.00 0.00 0.00 0.00 51.96 52.84 2qam s ALA 2 Cb 0.00 -3.23 -0.22 0.00 0.00 0.00 0.00 23.12 19.67 2qam s ALA 2 CO 0.00 0.13 0.61 1.63 0.00 0.00 0.00 175.76 178.13 2qam n LYS 3 N 1.44 0.65 -3.66 0.00 5.02 -1.26 -4.77 118.16 115.58 2qam n LYS 3 Ca -0.02 -0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 55.94 2qam n LYS 3 Cb 0.47 -1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 33.69 2qam n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qam s ILE 4 N -3.25 0.53 0.00 -0.18 -1.09 -1.26 -4.90 121.20 111.05 2qam s ILE 4 Ca -0.06 -1.18 0.00 0.00 -2.23 0.00 0.00 60.65 57.18 2qam s ILE 4 Cb 0.11 -1.42 0.00 0.00 -1.58 0.00 0.00 42.46 39.57 2qam s ILE 4 CO 0.86 -0.70 0.00 0.54 -1.23 0.00 0.00 174.94 174.41 2qam n ARG 5 N 4.98 -0.34 0.00 2.79 5.12 -1.26 -4.93 116.66 123.02 2qam n ARG 5 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2qam n ARG 5 Cb 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 2qam n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qam n ARG 6 N -1.14 0.00 -2.67 5.56 3.00 -1.26 -4.25 116.66 115.90 2qam n ARG 6 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 2qam n ARG 6 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 32.46 32.17 2qam n ARG 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qam s ASP 7 N -2.54 6.30 -0.12 6.15 1.11 -1.21 -4.12 116.67 122.24 2qam s ASP 7 Ca 0.00 -1.01 -0.01 0.00 0.18 0.00 0.00 52.55 51.71 2qam s ASP 7 Cb 0.00 -2.51 0.03 0.00 1.07 0.00 0.00 42.92 41.51 2qam s ASP 7 CO 0.00 -1.57 -0.04 -1.81 1.18 0.00 0.00 175.17 172.93 2qam s ASP 8 N 4.03 2.19 -0.67 0.27 -0.00 -1.26 -4.86 116.67 116.37 2qam s ASP 8 Ca 0.34 -0.36 -0.25 0.00 -0.00 0.00 0.00 52.55 52.28 2qam s ASP 8 Cb -0.08 -0.70 -0.12 0.00 -0.00 0.00 0.00 42.92 42.02 2qam s ASP 8 CO 0.05 -0.17 2.42 1.21 -0.00 0.00 0.00 175.17 178.68 2qam n GLU 9 N 5.01 0.73 -3.75 8.23 4.07 -1.26 -3.06 120.64 130.61 2qam n GLU 9 Ca -0.10 -0.34 -0.24 0.00 -0.06 0.00 0.00 57.16 56.42 2qam n GLU 9 Cb 0.49 -3.31 -0.02 0.00 -0.06 0.00 0.00 31.44 28.54 2qam n GLU 9 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2qam s VAL 10 N 12.52 5.22 -0.25 6.31 -7.23 -0.51 0.15 120.40 136.60 2qam s VAL 10 Ca 1.00 -0.68 -0.02 0.00 -1.81 0.00 0.00 61.98 60.47 2qam s VAL 10 Cb -0.26 -3.82 -0.15 0.00 0.56 0.00 0.00 36.38 32.72 2qam s VAL 10 CO 0.22 -0.33 -0.25 0.00 -0.31 0.00 0.00 175.10 174.43 2qam n ILE 11 N -1.24 1.44 -0.94 -0.62 0.00 0.25 -1.92 119.36 116.34 2qam n ILE 11 Ca -0.07 -0.50 0.00 0.00 0.00 0.00 0.00 62.75 62.18 2qam n ILE 11 Cb 0.56 -1.52 0.00 0.00 0.00 0.00 0.00 39.64 38.68 2qam n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qam n VAL 12 N -3.50 -1.93 -1.38 9.51 0.31 -1.26 -1.48 118.33 118.60 2qam n VAL 12 Ca -0.46 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 63.79 2qam n VAL 12 Cb 0.94 -2.83 0.20 0.00 -0.91 0.00 0.00 33.84 31.24 2qam n VAL 12 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qam n LEU 13 N 0.00 4.62 -4.89 7.52 4.32 0.37 -3.66 117.00 125.28 2qam n LEU 13 Ca 0.00 -3.70 -0.24 0.00 -0.02 0.00 0.00 56.01 52.05 2qam n LEU 13 Cb 0.00 -0.67 -0.01 0.00 -1.62 0.00 0.00 43.42 41.12 2qam n LEU 13 CO 0.00 1.18 0.04 0.28 -1.22 0.00 0.00 177.39 177.67 2qam s THR 14 N -3.23 1.96 0.26 -5.08 -1.32 -1.21 -5.00 115.64 102.02 2qam s THR 14 Ca 0.47 -1.44 -0.04 0.00 -1.21 0.00 0.00 61.69 59.47 2qam s THR 14 Cb 0.42 -2.41 0.06 0.00 -1.51 0.00 0.00 72.50 69.06 2qam s THR 14 CO 0.02 0.00 0.14 0.61 -2.21 0.00 0.00 174.62 173.18 2qam n GLY 15 N -1.70 -2.81 7.00 6.08 0.00 -1.26 -2.95 105.19 109.55 2qam n GLY 15 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2qam n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qam n LYS 16 N -1.92 0.00 -1.53 1.61 5.02 -1.26 -2.77 118.16 117.31 2qam n LYS 16 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 2qam n LYS 16 Cb 0.09 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.08 2qam n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qam n ASP 17 N 4.64 3.33 0.00 4.39 10.43 -1.26 -4.82 116.55 133.25 2qam n ASP 17 Ca 0.00 -2.77 0.00 0.00 2.57 0.00 0.00 54.79 54.59 2qam n ASP 17 Cb 0.00 -1.44 0.00 0.00 1.84 0.00 0.00 41.12 41.52 2qam n ASP 17 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2qam n LYS 18 N 6.59 0.00 -1.53 -1.24 0.00 -1.11 -4.54 118.16 116.32 2qam n LYS 18 Ca 0.51 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.60 2qam n LYS 18 Cb 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.30 2qam n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qam n GLY 19 N 1.78 -0.25 0.00 3.14 0.00 -1.24 -4.58 105.19 104.04 2qam n GLY 19 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2qam n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qam n LYS 20 N 7.73 0.00 -3.50 1.61 4.01 -0.55 -5.07 118.16 122.39 2qam n LYS 20 Ca 0.54 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 58.25 2qam n LYS 20 Cb 0.31 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.81 2qam n LYS 20 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2qam s ARG 21 N 1.01 0.87 0.00 1.97 0.52 -1.22 -4.17 118.95 117.93 2qam s ARG 21 Ca 0.00 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 2qam s ARG 21 Cb 0.00 0.40 0.00 0.00 0.52 0.00 0.00 34.95 35.87 2qam s ARG 21 CO 0.00 -0.36 0.00 0.41 0.02 0.00 0.00 175.30 175.37 2qam n GLY 22 N -0.09 2.76 3.63 -3.53 0.00 -0.81 -4.91 105.19 102.24 2qam n GLY 22 Ca -0.11 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2qam n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qam s LYS 23 N -2.00 4.08 -0.32 1.61 3.01 -1.26 -1.42 119.74 123.44 2qam s LYS 23 Ca 0.00 0.80 -0.27 0.00 -1.01 0.00 0.00 55.97 55.49 2qam s LYS 23 Cb 0.00 -3.69 -0.06 0.00 -1.01 0.00 0.00 37.83 33.07 2qam s LYS 23 CO 0.00 -0.62 2.30 0.28 0.51 0.00 0.00 175.35 177.82 2qam n VAL 24 N 5.43 0.18 -0.11 3.17 0.31 -1.17 -1.30 118.33 124.84 2qam n VAL 24 Ca 0.05 -0.59 -0.06 0.00 -0.01 0.00 0.00 64.34 63.73 2qam n VAL 24 Cb 0.48 -2.66 0.02 0.00 -0.91 0.00 0.00 33.84 30.77 2qam n VAL 24 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2qam h LYS 25 N 16.81 0.23 -1.49 5.55 1.57 0.15 -3.21 116.57 136.18 2qam h LYS 25 Ca -0.35 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.54 2qam h LYS 25 Cb 1.25 -0.05 -0.25 0.00 0.08 0.00 0.00 32.23 33.25 2qam h LYS 25 CO 1.03 0.15 0.29 0.54 -0.57 0.00 0.00 179.45 180.90 2qam s ASN 26 N -5.34 -0.60 0.32 0.86 6.03 -1.16 -4.72 114.94 110.33 2qam s ASN 26 Ca -0.13 0.92 -0.26 0.00 -1.03 0.00 0.00 52.86 52.35 2qam s ASN 26 Cb 0.12 1.38 -0.10 0.00 -3.03 0.00 0.00 41.25 39.62 2qam s ASN 26 CO 0.71 -0.14 0.96 0.54 -2.03 0.00 0.00 177.10 177.14 2qam s VAL 27 N 1.69 4.13 0.04 3.54 0.11 -1.26 -2.26 120.40 126.38 2qam s VAL 27 Ca -0.08 1.80 0.04 0.00 -2.93 0.00 0.00 61.98 60.82 2qam s VAL 27 Cb -0.05 -4.01 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 2qam s VAL 27 CO -0.16 0.17 -0.05 -0.76 -3.33 0.00 0.00 175.10 170.97 2qam s LEU 28 N -1.99 3.24 0.61 2.54 1.43 0.16 -4.97 118.68 119.70 2qam s LEU 28 Ca 0.50 -0.18 0.31 0.00 -1.03 0.00 0.00 54.13 53.73 2qam s LEU 28 Cb -0.20 -1.92 1.77 0.00 0.03 0.00 0.00 46.19 45.87 2qam s LEU 28 CO 0.25 0.24 2.10 0.77 0.23 0.00 0.00 176.35 179.95 2qam h SER 29 N 4.12 0.00 0.00 2.29 4.64 -1.97 0.24 113.55 122.87 2qam h SER 29 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2qam h SER 29 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2qam h SER 29 CO 0.55 0.00 0.06 0.28 -0.87 0.00 0.00 176.83 176.85 2qam h SER 30 N 0.00 0.00 0.00 4.97 0.02 -2.03 -3.44 113.55 113.07 2qam h SER 30 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2qam h SER 30 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2qam h SER 30 CO -0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2qam n GLY 31 N -1.20 0.18 3.92 -3.77 0.00 0.85 -5.07 105.19 100.11 2qam n GLY 31 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2qam n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qam s LYS 32 N -0.91 3.45 0.27 1.61 1.02 -1.22 -1.89 119.74 122.07 2qam s LYS 32 Ca 0.00 -0.45 0.10 0.00 0.02 0.00 0.00 55.97 55.63 2qam s LYS 32 Cb 0.00 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 2qam s LYS 32 CO 0.00 0.59 -0.15 0.14 -0.92 0.00 0.00 175.35 175.01 2qam s VAL 33 N -1.55 2.14 -0.28 3.17 -7.23 0.28 0.36 120.40 117.30 2qam s VAL 33 Ca 0.35 -2.29 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 2qam s VAL 33 Cb -0.13 -2.31 0.07 0.00 0.56 0.00 0.00 36.38 34.57 2qam s VAL 33 CO 0.28 -0.40 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.96 2qam s ILE 34 N -2.71 2.18 -0.02 -0.62 1.01 -0.96 -0.82 121.20 119.27 2qam s ILE 34 Ca 0.28 -1.78 -0.18 0.00 0.00 0.00 0.00 60.65 58.97 2qam s ILE 34 Cb -0.02 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 2qam s ILE 34 CO 0.13 -0.15 0.51 -0.69 0.00 0.00 0.00 174.94 174.74 2qam s VAL 35 N 1.06 4.98 0.03 2.92 1.01 -1.26 0.17 120.40 129.31 2qam s VAL 35 Ca -0.05 1.05 -0.34 0.00 0.00 0.00 0.00 61.98 62.65 2qam s VAL 35 Cb -0.20 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.22 2qam s VAL 35 CO -0.06 0.47 1.77 1.21 0.00 0.00 0.00 175.10 178.49 2qam n GLU 36 N 2.51 2.24 -3.71 2.72 2.13 -0.42 -2.55 120.64 123.56 2qam n GLU 36 Ca -0.10 0.82 -0.32 0.00 0.66 0.00 0.00 57.16 58.22 2qam n GLU 36 Cb 0.51 -2.64 0.04 0.00 0.27 0.00 0.00 31.44 29.62 2qam n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qam n GLY 37 N 4.03 -0.94 0.00 8.31 0.00 -1.26 -4.58 105.19 110.75 2qam n GLY 37 Ca 0.20 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2qam n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qam n ILE 38 N -4.24 0.00 -2.73 -0.61 0.13 -1.06 -4.96 119.36 105.90 2qam n ILE 38 Ca -0.11 -0.25 -0.04 0.00 -1.10 0.00 0.00 62.75 61.26 2qam n ILE 38 Cb 0.59 1.15 0.02 0.00 -0.84 0.00 0.00 39.64 40.56 2qam n ILE 38 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2qam n ASN 39 N -0.35 -2.78 -4.11 9.51 2.85 -1.26 -4.73 115.26 114.40 2qam n ASN 39 Ca 0.00 -2.29 -0.30 0.00 -0.11 0.00 0.00 54.58 51.88 2qam n ASN 39 Cb 0.04 1.42 0.20 0.00 1.24 0.00 0.00 39.78 42.68 2qam n ASN 39 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2qam s LEU 40 N 0.83 1.60 0.00 1.20 1.02 -1.26 -0.30 118.68 121.78 2qam s LEU 40 Ca 0.28 0.58 0.00 0.00 0.02 0.00 0.00 54.13 55.01 2qam s LEU 40 Cb 0.05 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.73 2qam s LEU 40 CO -0.08 -3.38 0.00 1.33 0.02 0.00 0.00 176.35 174.24 2qam n VAL 41 N -4.25 0.00 0.00 -1.59 0.24 -0.94 -4.76 118.33 107.03 2qam n VAL 41 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 2qam n VAL 41 Cb 0.59 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 2qam n VAL 41 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2qam n LYS 42 N 0.00 0.00 -1.22 7.34 3.00 -1.25 -4.78 118.16 121.25 2qam n LYS 42 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 58.31 57.73 2qam n LYS 42 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 2qam n LYS 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2qam n LYS 43 N 0.00 0.00 -0.79 1.64 0.00 -1.24 -4.48 118.16 113.29 2qam n LYS 43 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 2qam n LYS 43 Cb 0.00 -1.43 -0.10 0.00 0.00 0.00 0.00 35.03 33.50 2qam n LYS 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2qam n HIS 44 N 6.99 0.42 -1.18 5.64 8.25 -1.26 -1.16 115.22 132.92 2qam n HIS 44 Ca 0.51 -1.42 -0.55 0.00 -0.26 0.00 0.00 57.72 56.00 2qam n HIS 44 Cb -0.04 -1.46 -0.11 0.00 1.12 0.00 0.00 29.99 29.50 2qam n HIS 44 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2qam n GLN 45 N 2.94 0.00 -3.01 -0.41 0.00 -0.66 -4.84 117.38 111.39 2qam n GLN 45 Ca 0.38 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.99 2qam n GLN 45 Cb 0.56 -1.40 -0.06 0.00 0.00 0.00 0.00 30.24 29.34 2qam n GLN 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2qam s LYS 46 N 5.76 4.50 0.00 3.69 2.20 -1.26 -1.27 119.74 133.36 2qam s LYS 46 Ca 1.13 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 2qam s LYS 46 Cb -1.39 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 31.74 2qam s LYS 46 CO 0.61 0.54 0.00 -0.35 -0.36 0.00 0.00 175.35 175.79 2qam n PRO 47 N 1.45 1.54 -2.72 4.03 -0.04 -1.26 -4.86 135.00 133.13 2qam n PRO 47 Ca -0.05 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.32 2qam n PRO 47 Cb 0.49 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.05 2qam n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2qam n VAL 48 N -0.58 0.03 -0.42 0.52 3.14 -1.26 -4.97 118.33 114.78 2qam n VAL 48 Ca 0.00 -1.62 -0.11 0.00 -2.96 0.00 0.00 64.34 59.64 2qam n VAL 48 Cb 0.00 1.17 -0.04 0.00 -1.06 0.00 0.00 33.84 33.91 2qam n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2qam n PRO 49 N -0.15 0.00 -0.63 1.45 -0.02 -1.26 -4.58 135.00 129.81 2qam n PRO 49 Ca 0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.47 2qam n PRO 49 Cb 0.78 -0.42 -0.03 0.00 -0.02 0.00 0.00 33.50 33.81 2qam n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qam n ALA 50 N 2.93 1.56 -0.50 3.55 0.00 -1.26 -5.10 120.51 121.69 2qam n ALA 50 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2qam n ALA 50 Cb 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2qam n ALA 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qam n LEU 51 N 0.00 -2.94 -2.13 0.00 0.00 -1.26 -4.98 117.00 105.68 2qam n LEU 51 Ca -0.11 0.71 -0.02 0.00 0.00 0.00 0.00 56.01 56.58 2qam n LEU 51 Cb 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 43.42 43.62 2qam n LEU 51 CO -0.06 -0.19 0.08 0.59 0.00 0.00 0.00 177.39 177.81 2qam n ASN 52 N -0.12 -4.59 0.00 1.96 5.03 -1.26 -5.06 115.26 111.22 2qam n ASN 52 Ca 0.00 0.11 0.00 0.00 0.87 0.00 0.00 54.58 55.56 2qam n ASN 52 Cb 0.00 -2.92 0.00 0.00 -1.02 0.00 0.00 39.78 35.84 2qam n ASN 52 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qam n GLN 53 N -0.84 0.00 -0.15 3.52 0.00 -1.26 -4.96 117.38 113.70 2qam n GLN 53 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 57.00 56.97 2qam n GLN 53 Cb 0.34 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.61 2qam n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2qam h PRO 54 N 0.00 0.49 -0.46 2.61 0.13 -1.98 -3.37 132.00 129.42 2qam h PRO 54 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2qam h PRO 54 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 2qam h PRO 54 CO 0.00 0.33 -0.04 0.41 -0.23 0.00 0.00 178.00 178.47 2qam n GLY 55 N -1.23 -3.49 0.00 1.56 0.00 -1.26 -4.63 105.19 96.14 2qam n GLY 55 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2qam n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLY 56 N -0.30 1.50 3.86 -0.02 0.00 -0.40 -4.76 105.19 105.08 2qam n GLY 56 Ca 0.00 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 2qam n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qam s ILE 57 N -2.58 5.24 0.00 -0.61 1.01 -1.26 -1.65 121.20 121.34 2qam s ILE 57 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2qam s ILE 57 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2qam s ILE 57 CO 0.00 0.54 0.00 0.52 0.00 0.00 0.00 174.94 176.00 2qam n VAL 58 N 1.71 0.00 -2.68 2.92 0.31 -0.30 -4.92 118.33 115.36 2qam n VAL 58 Ca -0.15 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.12 2qam n VAL 58 Cb 0.53 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.53 2qam n VAL 58 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qam n GLU 59 N 0.00 0.75 -0.60 5.55 2.13 -1.26 -3.61 120.64 123.59 2qam n GLU 59 Ca 0.00 -1.35 -0.26 0.00 0.66 0.00 0.00 57.16 56.21 2qam n GLU 59 Cb 0.00 -0.10 0.23 0.00 0.27 0.00 0.00 31.44 31.84 2qam n GLU 59 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2qam n LYS 60 N -0.45 -3.55 0.00 5.31 3.00 -1.26 -4.09 118.16 117.12 2qam n LYS 60 Ca -0.12 -1.40 0.00 0.00 -0.00 0.00 0.00 58.31 56.79 2qam n LYS 60 Cb 0.76 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 34.28 2qam n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2qam n GLU 61 N -4.77 0.68 0.00 1.64 -0.58 -1.26 -2.21 120.64 114.14 2qam n GLU 61 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2qam n GLU 61 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 2qam n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qam n ALA 62 N -3.00 1.38 -0.91 0.62 0.00 0.59 -4.42 120.51 114.77 2qam n ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qam n ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qam n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qam n ALA 63 N -1.27 -2.76 -2.45 0.00 0.00 -1.26 -5.05 120.51 107.71 2qam n ALA 63 Ca 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.32 2qam n ALA 63 Cb 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 2qam n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qam s ILE 64 N -0.13 2.37 0.33 0.00 2.07 0.00 -4.85 121.20 121.00 2qam s ILE 64 Ca 0.00 -2.30 -0.29 0.00 -1.41 0.00 0.00 60.65 56.66 2qam s ILE 64 Cb 0.00 -2.23 -0.11 0.00 0.13 0.00 0.00 42.46 40.26 2qam s ILE 64 CO 0.00 -0.35 1.46 -1.10 -1.91 0.00 0.00 174.94 173.04 2qam s GLN 65 N -3.31 4.19 0.39 3.50 -0.21 -1.26 0.10 119.66 123.06 2qam s GLN 65 Ca 0.27 2.45 0.14 0.00 0.02 0.00 0.00 55.36 58.24 2qam s GLN 65 Cb -0.05 -3.02 0.97 0.00 1.00 0.00 0.00 33.01 31.90 2qam s GLN 65 CO 0.13 -0.46 1.85 -0.24 -2.12 0.00 0.00 175.29 174.45 2qam h VAL 66 N 3.16 0.73 0.00 1.09 3.04 -1.69 -0.94 116.25 121.65 2qam h VAL 66 Ca -0.49 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 2qam h VAL 66 Cb 1.23 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2qam h VAL 66 CO 0.70 0.10 0.00 -1.54 -1.01 0.00 0.00 177.57 175.81 2qam n SER 67 N -4.55 0.10 -0.06 3.17 3.41 -1.26 -1.15 113.62 113.27 2qam n SER 67 Ca 0.19 -0.55 0.01 0.00 -0.26 0.00 0.00 58.87 58.25 2qam n SER 67 Cb 0.61 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 2qam n SER 67 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qam n ASN 68 N -0.20 1.05 -4.09 4.04 3.02 -0.36 -5.02 115.26 113.70 2qam n ASN 68 Ca 0.00 -1.02 -0.16 0.00 -0.03 0.00 0.00 54.58 53.37 2qam n ASN 68 Cb 0.02 0.08 -0.12 0.00 -0.61 0.00 0.00 39.78 39.15 2qam n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2qam s VAL 69 N -0.20 0.77 0.09 2.41 -7.23 -0.30 -0.48 120.40 115.45 2qam s VAL 69 Ca 0.02 -0.97 0.08 0.00 -1.81 0.00 0.00 61.98 59.30 2qam s VAL 69 Cb 0.01 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 2qam s VAL 69 CO 0.02 -0.18 -0.22 0.00 -0.31 0.00 0.00 175.10 174.41 2qam s ALA 70 N -1.04 1.92 -0.26 1.32 0.00 -1.26 -4.86 121.76 117.58 2qam s ALA 70 Ca -0.04 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 2qam s ALA 70 Cb -0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 2qam s ALA 70 CO 0.01 0.41 1.26 0.96 0.00 0.00 0.00 175.76 178.41 2qam s ILE 71 N -1.01 4.23 -0.14 0.00 -4.36 -1.26 -0.58 121.20 118.07 2qam s ILE 71 Ca 0.08 1.42 -0.29 0.00 -0.26 0.00 0.00 60.65 61.60 2qam s ILE 71 Cb -0.10 -4.14 -0.04 0.00 1.25 0.00 0.00 42.46 39.44 2qam s ILE 71 CO 0.04 -0.37 1.60 0.12 0.24 0.00 0.00 174.94 176.57 2qam s PHE 72 N 4.04 2.12 -0.50 1.37 5.36 0.40 -4.11 117.98 126.67 2qam s PHE 72 Ca 0.54 0.44 0.26 0.00 -0.96 0.00 0.00 56.93 57.21 2qam s PHE 72 Cb -0.18 -3.90 0.71 0.00 -0.34 0.00 0.00 43.02 39.32 2qam s PHE 72 CO 0.19 -3.21 1.73 -2.95 -1.46 0.00 0.00 175.22 169.52 2qam h ASN 73 N 10.00 0.00 0.00 6.13 -0.00 -1.43 -3.45 115.58 126.84 2qam h ASN 73 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.95 2qam h ASN 73 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.48 2qam h ASN 73 CO 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 177.43 178.41 2qam n ALA 74 N -1.94 0.00 0.32 4.14 0.00 -1.26 -4.61 120.51 117.16 2qam n ALA 74 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2qam n ALA 74 Cb 0.43 -0.34 0.14 0.00 0.00 0.00 0.00 19.45 19.68 2qam n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qam h ALA 75 N 0.00 0.71 0.00 0.00 0.00 -1.93 -3.37 119.26 114.67 2qam h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qam h ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qam h ALA 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 2qam n THR 76 N -2.59 0.00 -2.38 0.00 -2.24 -1.26 -5.05 114.28 100.75 2qam n THR 76 Ca 0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 2qam n THR 76 Cb 0.50 1.58 0.03 0.00 -2.10 0.00 0.00 70.33 70.35 2qam n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qam n GLY 77 N 0.00 -0.05 0.00 3.38 0.00 -1.26 -4.99 105.19 102.27 2qam n GLY 77 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2qam n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qam n LYS 78 N -2.35 0.00 -3.70 1.61 0.00 -1.26 -5.00 118.16 107.46 2qam n LYS 78 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.14 2qam n LYS 78 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.52 2qam n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qam s ALA 79 N -1.00 -0.88 -0.42 3.14 0.00 -1.26 -1.16 121.76 120.18 2qam s ALA 79 Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 51.96 52.27 2qam s ALA 79 Cb 0.00 0.30 0.28 0.00 0.00 0.00 0.00 23.12 23.70 2qam s ALA 79 CO 0.00 -0.42 0.61 -0.25 0.00 0.00 0.00 175.76 175.70 2qam n ASP 80 N 0.62 0.85 0.00 0.00 10.43 -1.26 -4.97 116.55 122.21 2qam n ASP 80 Ca -0.19 -2.88 0.00 0.00 2.57 0.00 0.00 54.79 54.29 2qam n ASP 80 Cb 0.59 -0.63 0.00 0.00 1.84 0.00 0.00 41.12 42.92 2qam n ASP 80 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2qam n ARG 81 N 1.00 0.00 0.14 -1.24 3.00 -1.26 0.75 116.66 119.06 2qam n ARG 81 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.07 2qam n ARG 81 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 2qam n ARG 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qam n VAL 82 N 0.00 0.00 -1.31 1.55 0.31 -1.26 -4.78 118.33 112.84 2qam n VAL 82 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 2qam n VAL 82 Cb 0.00 -0.13 -0.08 0.00 -0.91 0.00 0.00 33.84 32.72 2qam n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qam n GLY 83 N -0.31 -3.38 3.16 2.92 0.00 -1.26 0.41 105.19 106.74 2qam n GLY 83 Ca 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 2qam n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qam s PHE 84 N -4.27 0.08 0.00 1.61 0.40 -1.26 -2.64 117.98 111.91 2qam s PHE 84 Ca 0.00 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 2qam s PHE 84 Cb 0.00 -0.05 0.00 0.00 0.51 0.00 0.00 43.02 43.48 2qam s PHE 84 CO 0.00 -0.41 0.00 -2.13 0.70 0.00 0.00 175.22 173.38 2qam n ARG 85 N 0.74 -0.09 0.00 0.44 0.00 0.08 -4.98 116.66 112.85 2qam n ARG 85 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 2qam n ARG 85 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 2qam n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2qam n PHE 86 N -1.58 0.00 -0.18 -0.14 -0.00 -1.24 -4.15 117.46 110.17 2qam n PHE 86 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.35 2qam n PHE 86 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.49 2qam n PHE 86 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 2qam h GLU 87 N 0.00 0.98 -6.76 -4.13 -0.00 -1.95 -3.44 114.58 99.28 2qam h GLU 87 Ca 0.00 -0.35 -0.44 0.00 -0.00 0.00 0.00 59.36 58.57 2qam h GLU 87 Cb 0.00 -0.07 0.04 0.00 -0.00 0.00 0.00 28.75 28.72 2qam h GLU 87 CO 0.00 1.03 -0.08 0.34 -0.00 0.00 0.00 179.01 180.30 2qam s ASP 88 N -6.56 5.30 -0.91 3.06 -1.08 -1.26 -4.94 116.67 110.29 2qam s ASP 88 Ca -0.12 -0.15 -0.25 0.00 -0.52 0.00 0.00 52.55 51.51 2qam s ASP 88 Cb 0.12 -0.74 -0.23 0.00 -1.46 0.00 0.00 42.92 40.61 2qam s ASP 88 CO 0.85 -1.10 1.98 0.61 0.52 0.00 0.00 175.17 178.03 2qam n GLY 89 N -2.26 -0.35 3.64 2.66 0.00 -1.26 -4.76 105.19 102.86 2qam n GLY 89 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 2qam n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qam s LYS 90 N 8.13 0.62 0.00 1.61 1.02 -1.26 -5.09 119.74 124.77 2qam s LYS 90 Ca 0.74 1.09 0.00 0.00 0.02 0.00 0.00 55.97 57.82 2qam s LYS 90 Cb -0.03 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 2qam s LYS 90 CO 0.19 -0.13 0.69 1.17 -0.92 0.00 0.00 175.35 176.35 2qam n LYS 91 N 4.18 0.00 -1.57 1.68 3.00 -1.26 -3.75 118.16 120.45 2qam n LYS 91 Ca -0.19 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 2qam n LYS 91 Cb 0.58 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 34.42 2qam n LYS 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qam n VAL 92 N -1.23 -9.83 -3.59 3.15 0.31 -1.26 -0.74 118.33 105.13 2qam n VAL 92 Ca 0.00 2.37 -0.35 0.00 -0.01 0.00 0.00 64.34 66.35 2qam n VAL 92 Cb 0.00 -4.39 -0.05 0.00 -0.91 0.00 0.00 33.84 28.48 2qam n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qam s ARG 93 N -1.43 3.74 -0.07 5.55 0.52 -1.26 -1.45 118.95 124.56 2qam s ARG 93 Ca 0.00 0.15 -0.01 0.00 -0.52 0.00 0.00 55.73 55.35 2qam s ARG 93 Cb 0.00 -3.01 0.03 0.00 0.52 0.00 0.00 34.95 32.49 2qam s ARG 93 CO 0.00 0.57 -0.01 -0.59 0.02 0.00 0.00 175.30 175.29 2qam s PHE 94 N -1.38 0.75 0.05 -0.53 -0.12 0.17 -2.17 117.98 114.74 2qam s PHE 94 Ca 0.32 -0.22 -0.33 0.00 -0.05 0.00 0.00 56.93 56.65 2qam s PHE 94 Cb -0.14 -0.82 -0.12 0.00 -0.63 0.00 0.00 43.02 41.32 2qam s PHE 94 CO 0.18 -0.32 1.80 1.19 -0.05 0.00 0.00 175.22 178.01 2qam n PHE 95 N 4.97 2.42 -0.24 3.49 3.01 -1.25 -4.14 117.46 125.72 2qam n PHE 95 Ca -0.10 -0.01 -0.20 0.00 1.01 0.00 0.00 57.45 58.15 2qam n PHE 95 Cb 0.50 -2.67 0.19 0.00 -0.01 0.00 0.00 39.48 37.50 2qam n PHE 95 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2qam n LYS 96 N 5.62 -3.25 0.00 -1.08 4.76 0.23 -0.55 118.16 123.89 2qam n LYS 96 Ca 0.20 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.69 2qam n LYS 96 Cb 0.33 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 2qam n LYS 96 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qam n SER 97 N -3.98 0.00 -0.01 4.39 3.41 -1.26 -3.68 113.62 112.48 2qam n SER 97 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2qam n SER 97 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2qam n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2qam n ASN 98 N 0.99 0.73 -3.10 4.04 0.23 -1.23 -4.99 115.26 111.93 2qam n ASN 98 Ca 0.00 -0.87 -0.18 0.00 -0.53 0.00 0.00 54.58 53.00 2qam n ASN 98 Cb 0.00 0.30 -0.01 0.00 -2.08 0.00 0.00 39.78 37.99 2qam n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2qam n SER 99 N -0.28 -3.15 -0.31 0.53 7.64 0.28 -4.79 113.62 113.54 2qam n SER 99 Ca 0.00 -0.17 0.20 0.00 1.01 0.00 0.00 58.87 59.91 2qam n SER 99 Cb 0.01 -2.66 0.46 0.00 -1.01 0.00 0.00 64.21 61.01 2qam n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2qam h GLU 100 N -0.58 0.47 -5.21 1.43 4.57 -1.80 -3.45 114.58 110.01 2qam h GLU 100 Ca -0.34 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 2qam h GLU 100 Cb 1.23 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 2qam h GLU 100 CO 0.43 0.31 -1.16 2.41 -1.18 0.00 0.00 179.01 179.82 2qam n THR 101 N -4.64-11.45 1.45 0.32 -1.04 -1.26 -4.90 114.28 92.75 2qam n THR 101 Ca 0.24 2.01 0.12 0.00 -2.04 0.00 0.00 64.05 64.38 2qam n THR 101 Cb 0.77 -6.48 0.69 0.00 -1.82 0.00 0.00 70.33 63.48 2qam n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43