#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl s LYS 2 N 0.00 4.17 0.00 1.96 1.02 -1.26 -4.73 119.74 120.90 1snl s LYS 2 Ca 0.00 2.49 0.00 0.00 0.02 0.00 0.00 55.97 58.48 1snl s LYS 2 Cb 0.00 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 1snl s LYS 2 CO 0.00 -0.55 0.00 -0.85 -0.92 0.00 0.00 175.35 173.03 1snl n GLU 3 N 2.06 0.00 -1.65 1.68 0.28 -1.26 -5.13 120.64 116.62 1snl n GLU 3 Ca 0.07 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.76 1snl n GLU 3 Cb 0.38 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.30 1snl n GLU 3 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1snl s VAL 4 N -0.88 3.96 -0.41 3.84 0.11 -1.26 -5.03 120.40 120.72 1snl s VAL 4 Ca 0.00 0.64 0.07 0.00 -2.93 0.00 0.00 61.98 59.76 1snl s VAL 4 Cb 0.00 -3.45 0.23 0.00 -1.53 0.00 0.00 36.38 31.64 1snl s VAL 4 CO 0.00 -0.83 0.56 0.79 -3.33 0.00 0.00 175.10 172.29 1snl n TRP 5 N -3.10 -1.09 -3.69 1.54 8.01 -1.26 -5.09 117.44 112.76 1snl n TRP 5 Ca 0.07 -3.13 -0.11 0.00 -1.31 0.00 0.00 57.50 53.02 1snl n TRP 5 Cb 0.54 0.14 -0.11 0.00 -2.01 0.00 0.00 31.31 29.87 1snl n TRP 5 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 1snl s GLU 6 N -0.60 0.29 4.40 -0.99 2.02 -1.26 -5.06 118.70 117.50 1snl s GLU 6 Ca 0.34 0.79 0.00 0.00 0.02 0.00 0.00 54.97 56.12 1snl s GLU 6 Cb 0.15 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.42 1snl s GLU 6 CO -0.14 -0.20 0.00 0.39 0.02 0.00 0.00 175.26 175.32 1snl n GLU 7 N 4.72 0.00 -3.55 1.61 1.02 -1.26 -4.72 120.64 118.46 1snl n GLU 7 Ca -0.17 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.90 1snl n GLU 7 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.92 1snl n GLU 7 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1snl s LEU 8 N 0.00 -0.28 0.06 -4.62 0.05 -1.26 -5.12 118.68 107.51 1snl s LEU 8 Ca 0.00 0.09 -0.34 0.00 0.05 0.00 0.00 54.13 53.93 1snl s LEU 8 Cb 0.00 1.74 -0.18 0.00 -2.05 0.00 0.00 46.19 45.71 1snl s LEU 8 CO 0.00 -0.41 0.83 0.47 -0.55 0.00 0.00 176.35 176.69 1snl n ASP 9 N 0.04 -0.38 0.00 1.48 8.00 -1.26 -4.62 116.55 119.82 1snl n ASP 9 Ca -0.06 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.51 1snl n ASP 9 Cb 0.60 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 1snl n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1snl n GLY 10 N 1.54 -0.20 2.59 0.44 0.00 -1.26 -2.18 105.19 106.11 1snl n GLY 10 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1snl n GLY 10 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1snl n LEU 11 N -1.19 -1.60 -4.71 0.99 -0.00 -1.26 -5.12 117.00 104.11 1snl n LEU 11 Ca 0.00 -3.99 -0.43 0.00 -0.00 0.00 0.00 56.01 51.59 1snl n LEU 11 Cb 0.28 0.86 -0.03 0.00 -0.00 0.00 0.00 43.42 44.52 1snl n LEU 11 CO 0.00 2.11 1.29 -0.90 -0.00 0.00 0.00 177.39 179.90 1snl n ASP 12 N 0.59 3.67 0.02 1.45 5.75 -0.93 -4.80 116.55 122.30 1snl n ASP 12 Ca 0.11 1.08 0.03 0.00 -0.01 0.00 0.00 54.79 56.00 1snl n ASP 12 Cb 0.67 -1.53 0.13 0.00 -1.03 0.00 0.00 41.12 39.36 1snl n ASP 12 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1snl n PRO 13 N 3.52 0.02 0.17 0.11 -0.04 -1.26 -2.60 135.00 134.92 1snl n PRO 13 Ca 0.15 0.47 -0.13 0.00 -0.04 0.00 0.00 63.50 63.95 1snl n PRO 13 Cb 0.33 -1.56 -0.08 0.00 -0.04 0.00 0.00 33.50 32.16 1snl n PRO 13 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1snl h ASN 14 N 0.00 -0.39 -6.05 3.54 2.35 -2.01 -3.48 115.58 109.54 1snl h ASN 14 Ca 0.00 -0.16 -0.24 0.00 -0.55 0.00 0.00 56.30 55.36 1snl h ASN 14 Cb 0.05 0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.54 1snl h ASN 14 CO 0.00 -0.02 -0.91 -1.14 -1.65 0.00 0.00 177.43 173.71 1snl n ARG 15 N -5.15 -2.07 -2.05 0.81 0.63 -1.07 -4.92 116.66 102.84 1snl n ARG 15 Ca -0.10 1.67 -0.32 0.00 -0.92 0.00 0.00 57.85 58.18 1snl n ARG 15 Cb 0.27 -3.53 -0.00 0.00 0.45 0.00 0.00 32.46 29.65 1snl n ARG 15 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1snl s PHE 16 N -2.01 3.39 -0.38 -0.14 0.08 -1.26 -5.02 117.98 112.65 1snl s PHE 16 Ca 0.31 1.41 0.02 0.00 0.12 0.00 0.00 56.93 58.78 1snl s PHE 16 Cb -0.05 -2.81 0.28 0.00 -0.57 0.00 0.00 43.02 39.87 1snl s PHE 16 CO 0.83 -0.71 1.17 -1.71 -0.10 0.00 0.00 175.22 174.70 1snl n ASN 17 N -2.26 -1.77 0.28 1.36 4.05 -1.26 -4.99 115.26 110.67 1snl n ASN 17 Ca 0.07 -2.33 0.15 0.00 0.45 0.00 0.00 54.58 52.92 1snl n ASN 17 Cb 0.54 1.17 0.79 0.00 1.23 0.00 0.00 39.78 43.51 1snl n ASN 17 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1snl h PRO 18 N 3.17 0.00 -0.88 1.20 0.13 -2.02 -2.91 132.00 130.69 1snl h PRO 18 Ca -0.22 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.98 1snl h PRO 18 Cb 1.16 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 1snl h PRO 18 CO -0.00 0.08 0.55 -0.22 -0.23 0.00 0.00 178.00 178.17 1snl h LYS 19 N 0.00 0.95 -0.69 0.86 3.64 -2.01 -2.20 116.57 117.12 1snl h LYS 19 Ca -0.00 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1snl h LYS 19 Cb 0.33 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1snl h LYS 19 CO 0.01 0.63 0.15 1.15 -2.27 0.00 0.00 179.45 179.12 1snl h THR 20 N 0.98 1.26 -0.87 1.00 2.02 -1.95 -2.53 112.91 112.82 1snl h THR 20 Ca 0.39 -1.00 0.09 0.00 0.77 0.00 0.00 66.41 66.67 1snl h THR 20 Cb 0.21 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.13 1snl h THR 20 CO -0.19 0.38 0.51 0.15 0.37 0.00 0.00 175.52 176.75 1snl h PHE 21 N 1.05 0.93 -0.27 3.16 3.04 -1.54 0.86 116.94 124.19 1snl h PHE 21 Ca 0.21 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.17 1snl h PHE 21 Cb 0.40 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 1snl h PHE 21 CO 0.03 0.39 0.04 0.35 -2.02 0.00 0.00 178.31 177.10 1snl h PHE 22 N 0.86 0.39 0.16 0.41 3.57 -1.26 -2.52 116.94 118.54 1snl h PHE 22 Ca 0.41 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1snl h PHE 22 Cb 0.36 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1snl h PHE 22 CO -0.05 0.37 -0.08 0.82 -2.23 0.00 0.00 178.31 177.15 1snl h ILE 23 N 0.38 0.00 0.00 1.41 2.04 -0.68 -2.41 117.51 118.25 1snl h ILE 23 Ca 0.09 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1snl h ILE 23 Cb 0.20 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1snl h ILE 23 CO 0.00 0.00 0.51 0.25 0.00 0.00 0.00 178.15 178.91 1snl h LEU 24 N -0.80 0.00 0.00 1.44 5.85 -1.17 0.80 115.31 121.43 1snl h LEU 24 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1snl h LEU 24 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1snl h LEU 24 CO 0.04 0.00 -1.53 1.57 -0.34 0.00 0.00 178.44 178.17 1snl n HIS 25 N -2.14 0.00 -2.38 1.25 -0.00 -0.95 -4.76 115.22 106.24 1snl n HIS 25 Ca -0.01 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.81 1snl n HIS 25 Cb 0.52 -0.28 -0.04 0.00 -0.12 0.00 0.00 29.99 30.08 1snl n HIS 25 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1snl s ASP 26 N -3.78 6.02 -0.04 0.26 -1.08 0.28 -4.80 116.67 113.52 1snl s ASP 26 Ca -0.01 -1.22 -0.24 0.00 -0.52 0.00 0.00 52.55 50.56 1snl s ASP 26 Cb 0.14 -2.57 -0.19 0.00 -1.46 0.00 0.00 42.92 38.85 1snl s ASP 26 CO 0.86 -1.95 1.05 0.40 0.52 0.00 0.00 175.17 176.05 1snl h ILE 27 N 6.91 1.15 -0.11 4.11 2.04 -1.86 -3.20 117.51 126.55 1snl h ILE 27 Ca 0.17 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1snl h ILE 27 Cb 1.00 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1snl h ILE 27 CO 1.35 0.28 0.00 0.59 0.00 0.00 0.00 178.15 180.37 1snl n ASN 28 N -4.88 1.09 -3.88 1.72 5.03 -1.26 -4.93 115.26 108.14 1snl n ASN 28 Ca -0.08 -1.62 -0.35 0.00 0.87 0.00 0.00 54.58 53.39 1snl n ASN 28 Cb 0.28 -0.07 0.02 0.00 -1.02 0.00 0.00 39.78 38.99 1snl n ASN 28 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1snl n SER 29 N -0.06 -3.73 -0.94 6.41 3.41 -1.21 -4.84 113.62 112.66 1snl n SER 29 Ca 0.15 -1.12 0.12 0.00 -0.26 0.00 0.00 58.87 57.76 1snl n SER 29 Cb 0.24 -2.71 0.11 0.00 -0.26 0.00 0.00 64.21 61.58 1snl n SER 29 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1snl n ASP 30 N -2.58 2.96 0.00 4.04 2.03 -1.26 -4.93 116.55 116.80 1snl n ASP 30 Ca -0.15 -1.98 0.00 0.00 0.52 0.00 0.00 54.79 53.18 1snl n ASP 30 Cb 0.61 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1snl n GLY 31 N 1.35 0.77 3.23 0.27 0.00 -1.26 -4.99 105.19 104.55 1snl n GLY 31 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1snl n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snl s VAL 32 N -3.12 0.09 -0.21 1.61 -7.23 -1.26 -4.11 120.40 106.16 1snl s VAL 32 Ca 0.00 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 1snl s VAL 32 Cb 0.00 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 35.01 1snl s VAL 32 CO 0.00 -0.39 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.02 1snl s LEU 33 N -3.02 2.68 0.00 1.32 2.96 0.13 -4.95 118.68 117.80 1snl s LEU 33 Ca 0.21 -0.98 0.03 0.00 -0.22 0.00 0.00 54.13 53.18 1snl s LEU 33 Cb 0.06 -1.48 0.05 0.00 0.50 0.00 0.00 46.19 45.31 1snl s LEU 33 CO 0.01 -0.09 0.37 -0.90 -1.32 0.00 0.00 176.35 174.42 1snl n ASP 34 N 4.55 0.84 0.25 3.68 5.75 -1.26 -1.67 116.55 128.69 1snl n ASP 34 Ca -0.18 -1.63 0.14 0.00 -0.01 0.00 0.00 54.79 53.12 1snl n ASP 34 Cb 0.46 -0.21 0.54 0.00 -1.03 0.00 0.00 41.12 40.88 1snl n ASP 34 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1snl h GLU 35 N 0.00 0.00 0.00 0.11 4.81 -1.99 -2.48 114.58 115.03 1snl h GLU 35 Ca -0.12 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 1snl h GLU 35 Cb 0.54 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1snl h GLU 35 CO 0.17 0.07 -0.50 -0.56 -0.73 0.00 0.00 179.01 177.46 1snl h GLN 36 N 0.00 0.00 0.03 1.92 -0.00 -1.95 0.89 115.11 116.00 1snl h GLN 36 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.36 1snl h GLN 36 Cb 0.67 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.11 1snl h GLN 36 CO 0.01 0.50 -1.60 0.93 -0.00 0.00 0.00 178.83 178.66 1snl h GLU 37 N 0.00 0.06 0.04 0.06 5.08 -1.92 -3.03 114.58 114.87 1snl h GLU 37 Ca -0.00 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 58.02 1snl h GLU 37 Cb 1.24 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1snl h GLU 37 CO 0.06 0.73 -1.01 1.25 -1.00 0.00 0.00 179.01 179.04 1snl h LEU 38 N 0.02 0.32 -0.13 1.33 5.85 -1.43 -1.69 115.31 119.58 1snl h LEU 38 Ca -0.25 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.08 1snl h LEU 38 Cb 1.98 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.91 1snl h LEU 38 CO 0.10 1.15 -0.31 -0.08 -0.34 0.00 0.00 178.44 178.96 1snl h GLU 39 N 0.10 0.44 -0.16 1.25 4.81 -0.94 -2.81 114.58 117.28 1snl h GLU 39 Ca -0.07 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 58.73 1snl h GLU 39 Cb 1.69 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.12 1snl h GLU 39 CO 0.16 0.91 -0.42 0.00 -0.73 0.00 0.00 179.01 178.93 1snl h ALA 40 N 0.53 0.26 0.00 2.92 0.00 -1.60 -2.97 119.26 118.40 1snl h ALA 40 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1snl h ALA 40 Cb 0.91 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1snl h ALA 40 CO 0.07 0.38 -0.06 1.25 0.00 0.00 0.00 179.25 180.89 1snl h LEU 41 N 0.20 0.00 -0.26 0.00 5.85 -1.39 -1.53 115.31 118.18 1snl h LEU 41 Ca -0.01 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 1snl h LEU 41 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1snl h LEU 41 CO 0.09 0.06 -0.84 0.15 -0.34 0.00 0.00 178.44 177.56 1snl h PHE 42 N 0.00 0.68 0.44 1.25 3.57 -1.37 -2.82 116.94 118.69 1snl h PHE 42 Ca -0.00 -0.33 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 1snl h PHE 42 Cb 0.16 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1snl h PHE 42 CO 0.00 1.13 -0.21 1.15 -2.23 0.00 0.00 178.31 178.15 1snl h THR 43 N 0.31 0.56 -0.05 4.41 2.02 -1.13 -2.90 112.91 116.13 1snl h THR 43 Ca -0.06 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 1snl h THR 43 Cb 1.45 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1snl h THR 43 CO 0.15 0.04 -0.18 0.11 0.37 0.00 0.00 175.52 176.00 1snl h LYS 44 N -0.71 0.21 -0.57 6.66 1.57 -1.64 -2.69 116.57 119.39 1snl h LYS 44 Ca -0.06 -0.16 0.17 0.00 -1.87 0.00 0.00 60.65 58.73 1snl h LYS 44 Cb 0.52 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1snl h LYS 44 CO 0.10 0.80 0.49 0.93 -0.57 0.00 0.00 179.45 181.20 1snl h GLU 45 N -0.34 0.00 0.00 3.15 4.39 -1.60 0.84 114.58 121.02 1snl h GLU 45 Ca -0.01 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1snl h GLU 45 Cb 0.83 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1snl h GLU 45 CO 0.04 0.00 -0.68 1.25 -1.16 0.00 0.00 179.01 178.46 1snl h LEU 46 N 0.00 0.00 0.00 1.33 5.85 -1.43 -3.11 115.31 117.94 1snl h LEU 46 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1snl h LEU 46 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1snl h LEU 46 CO -0.00 0.50 0.00 -0.62 -0.34 0.00 0.00 178.44 177.98 1snl n GLU 47 N -3.15 0.44 -1.64 1.25 -0.58 0.29 -3.27 120.64 113.98 1snl n GLU 47 Ca -0.00 0.05 -0.36 0.00 -0.42 0.00 0.00 57.16 56.44 1snl n GLU 47 Cb 0.75 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 30.18 1snl n GLU 47 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1snl n LYS 48 N -1.14 2.81 0.08 3.49 5.02 -1.09 -4.52 118.16 122.81 1snl n LYS 48 Ca 0.12 -3.49 0.00 0.00 -2.02 0.00 0.00 58.31 52.92 1snl n LYS 48 Cb 0.11 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.84 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1snl n VAL 49 N -0.75 0.00 0.00 -0.18 0.31 -1.20 -5.10 118.33 111.40 1snl n VAL 49 Ca 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.90 1snl n VAL 49 Cb 0.53 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 1snl n VAL 49 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1snl n TYR 50 N -2.92 0.00 -3.23 3.52 4.01 -1.26 -5.05 117.16 112.23 1snl n TYR 50 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 1snl n TYR 50 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 1snl n TYR 50 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1snl n ASP 51 N 0.00 -0.62 -3.43 7.72 5.75 -1.26 -5.09 116.55 119.62 1snl n ASP 51 Ca 0.00 -2.58 -0.31 0.00 -0.01 0.00 0.00 54.79 51.89 1snl n ASP 51 Cb 0.00 -0.27 0.29 0.00 -1.03 0.00 0.00 41.12 40.11 1snl n ASP 51 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 1snl s PRO 52 N -0.30 -3.12 -0.85 0.11 0.02 -1.26 -4.08 135.00 125.51 1snl s PRO 52 Ca 0.33 0.19 -0.01 0.00 0.02 0.00 0.00 61.00 61.54 1snl s PRO 52 Cb 0.10 -1.35 0.00 0.00 0.02 0.00 0.00 34.50 33.27 1snl s PRO 52 CO -0.16 -5.01 0.07 1.63 -0.33 0.00 0.00 177.00 173.20 1snl n LYS 53 N -5.74 -1.17 0.00 5.54 5.02 -1.26 -4.88 118.16 115.68 1snl n LYS 53 Ca 0.12 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1snl n LYS 53 Cb 0.60 -4.51 0.00 0.00 -0.02 0.00 0.00 35.03 31.09 1snl n LYS 53 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1snl n ASN 54 N -0.04 0.50 0.00 4.39 4.05 -1.26 -5.13 115.26 117.77 1snl n ASN 54 Ca -0.11 -1.21 0.00 0.00 0.45 0.00 0.00 54.58 53.71 1snl n ASN 54 Cb 0.58 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.59 1snl n ASN 54 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1snl n GLU 55 N -0.11 0.00 -2.80 1.20 2.13 -1.26 -4.26 120.64 115.54 1snl n GLU 55 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 1snl n GLU 55 Cb 0.36 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.08 1snl n GLU 55 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1snl n GLU 56 N 0.53 3.72 -1.33 5.31 4.71 -1.26 -4.51 120.64 127.82 1snl n GLU 56 Ca 0.00 -3.98 0.01 0.00 -0.01 0.00 0.00 57.16 53.18 1snl n GLU 56 Cb 0.00 -2.81 -0.01 0.00 -1.01 0.00 0.00 31.44 27.61 1snl n GLU 56 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1snl n ASP 57 N 3.65 0.38 0.00 1.62 2.03 -1.26 -4.89 116.55 118.08 1snl n ASP 57 Ca 0.34 -1.99 0.00 0.00 0.52 0.00 0.00 54.79 53.65 1snl n ASP 57 Cb 0.38 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 1snl n ASP 57 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1snl n ASP 58 N 0.34 0.00 -0.98 1.67 5.75 -1.26 -4.92 116.55 117.15 1snl n ASP 58 Ca -0.04 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.81 1snl n ASP 58 Cb 1.00 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 41.34 1snl n ASP 58 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1snl n MET 59 N 0.00 3.14 -0.01 0.11 2.81 -1.26 -4.63 117.12 117.27 1snl n MET 59 Ca 0.00 -2.58 -0.01 0.00 -1.81 0.00 0.00 57.70 53.29 1snl n MET 59 Cb 0.00 -1.66 -0.00 0.00 -0.71 0.00 0.00 33.22 30.84 1snl n MET 59 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1snl n ARG 60 N 0.22 0.09 -0.24 0.03 0.63 -1.26 -4.00 116.66 112.12 1snl n ARG 60 Ca 0.19 0.10 0.22 0.00 -0.92 0.00 0.00 57.85 57.43 1snl n ARG 60 Cb 0.74 -0.72 0.40 0.00 0.45 0.00 0.00 32.46 33.33 1snl n ARG 60 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1snl n GLU 61 N -2.79 -0.05 0.00 -0.14 2.13 -1.26 0.30 120.64 118.83 1snl n GLU 61 Ca -0.02 1.06 0.14 0.00 0.66 0.00 0.00 57.16 59.00 1snl n GLU 61 Cb 0.08 -1.85 0.56 0.00 0.27 0.00 0.00 31.44 30.49 1snl n GLU 61 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1snl n MET 62 N -4.77 1.55 -0.48 5.31 0.00 -1.26 -4.40 117.12 113.07 1snl n MET 62 Ca 0.27 -0.84 0.36 0.00 0.00 0.00 0.00 57.70 57.48 1snl n MET 62 Cb 0.90 -1.48 0.55 0.00 0.00 0.00 0.00 33.22 33.19 1snl n MET 62 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1snl n GLU 63 N 0.01 -0.00 0.12 3.17 -0.00 0.87 0.18 120.64 124.99 1snl n GLU 63 Ca 0.19 0.73 -0.12 0.00 -0.00 0.00 0.00 57.16 57.96 1snl n GLU 63 Cb 0.33 -1.69 -0.08 0.00 -0.00 0.00 0.00 31.44 30.01 1snl n GLU 63 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1snl h GLU 64 N 0.00 -0.34 -0.98 3.44 4.39 -1.78 -3.17 114.58 116.14 1snl h GLU 64 Ca 0.64 0.02 0.33 0.00 0.34 0.00 0.00 59.36 60.68 1snl h GLU 64 Cb 2.55 0.08 -0.16 0.00 -0.10 0.00 0.00 28.75 31.12 1snl h GLU 64 CO -0.01 0.01 0.44 1.49 -1.16 0.00 0.00 179.01 179.79 1snl h GLU 65 N -0.79 0.18 -0.64 2.33 4.57 0.15 0.43 114.58 120.81 1snl h GLU 65 Ca -0.04 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.25 1snl h GLU 65 Cb 0.51 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 28.97 1snl h GLU 65 CO 0.06 0.12 0.18 0.00 -1.18 0.00 0.00 179.01 178.19 1snl h ARG 66 N 0.19 0.31 0.00 1.92 2.47 -1.51 -0.22 114.38 117.53 1snl h ARG 66 Ca 0.72 -0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 59.28 1snl h ARG 66 Cb 1.67 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.90 1snl h ARG 66 CO -0.69 0.20 -0.66 -0.07 0.56 0.00 0.00 179.97 179.31 1snl h LEU 67 N 0.32 0.00 -0.52 3.04 3.38 -0.31 -2.33 115.31 118.88 1snl h LEU 67 Ca 0.34 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 1snl h LEU 67 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1snl h LEU 67 CO -0.40 0.66 -0.21 -0.09 0.09 0.00 0.00 178.44 178.49 1snl h ARG 68 N 0.00 0.98 0.02 1.13 1.12 0.46 -2.16 114.38 115.94 1snl h ARG 68 Ca -0.01 -0.41 -0.17 0.00 -1.11 0.00 0.00 59.98 58.28 1snl h ARG 68 Cb 1.47 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 31.38 1snl h ARG 68 CO 0.09 1.09 -0.91 0.52 -3.11 0.00 0.00 179.97 177.64 1snl h MET 69 N 0.85 0.05 -0.82 0.20 0.00 -1.26 -3.06 114.93 110.89 1snl h MET 69 Ca 0.11 -0.09 0.12 0.00 0.00 0.00 0.00 59.70 59.85 1snl h MET 69 Cb 0.79 0.03 -0.06 0.00 0.00 0.00 0.00 31.60 32.36 1snl h MET 69 CO 0.07 1.04 0.53 -0.09 0.00 0.00 0.00 176.91 178.46 1snl h ARG 70 N -0.86 0.62 0.03 1.72 2.43 -1.52 -1.37 114.38 115.44 1snl h ARG 70 Ca -0.23 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1snl h ARG 70 Cb 1.31 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1snl h ARG 70 CO -0.09 0.41 -0.01 1.49 -1.51 0.00 0.00 179.97 180.25 1snl h GLU 71 N 0.64 -0.04 -0.70 0.20 4.81 -1.52 -2.58 114.58 115.39 1snl h GLU 71 Ca 0.39 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.72 1snl h GLU 71 Cb 0.64 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 1snl h GLU 71 CO -0.16 0.53 0.47 1.25 -0.73 0.00 0.00 179.01 180.37 1snl h HIS 72 N -0.63 0.62 0.22 0.92 2.76 -1.32 0.11 115.15 117.82 1snl h HIS 72 Ca -0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1snl h HIS 72 Cb 0.58 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1snl h HIS 72 CO 0.13 0.29 -0.11 0.28 -1.30 0.00 0.00 177.93 177.22 1snl h VAL 73 N 0.58 0.71 0.00 5.26 2.07 -1.26 -1.82 116.25 121.79 1snl h VAL 73 Ca 0.32 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1snl h VAL 73 Cb 0.50 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1snl h VAL 73 CO -0.11 0.17 -0.02 0.24 0.02 0.00 0.00 177.57 177.88 1snl h MET 74 N -0.87 0.00 0.14 1.57 2.07 -1.17 0.39 114.93 117.05 1snl h MET 74 Ca -0.03 0.00 -0.32 0.00 -2.07 0.00 0.00 59.70 57.28 1snl h MET 74 Cb 0.51 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1snl h MET 74 CO 0.05 0.02 -1.59 -0.22 1.07 0.00 0.00 176.91 176.24 1snl h LYS 75 N 0.00 0.30 0.00 1.72 3.64 -0.71 -3.25 116.57 118.27 1snl h LYS 75 Ca -0.00 -0.52 -0.17 0.00 -1.27 0.00 0.00 60.65 58.70 1snl h LYS 75 Cb 0.09 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1snl h LYS 75 CO 0.00 1.18 -2.07 0.27 -2.27 0.00 0.00 179.45 176.56 1snl n ASN 76 N -3.50 0.50 -0.04 4.20 2.04 -0.69 -4.58 115.26 113.19 1snl n ASN 76 Ca -0.19 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 53.83 1snl n ASN 76 Cb 1.06 1.43 -0.14 0.00 -2.53 0.00 0.00 39.78 39.59 1snl n ASN 76 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1snl n VAL 77 N -2.43 1.60 -1.84 3.53 0.31 0.13 -4.71 118.33 114.93 1snl n VAL 77 Ca -0.17 -0.76 -0.36 0.00 -0.01 0.00 0.00 64.34 63.05 1snl n VAL 77 Cb 0.80 -1.13 -0.03 0.00 -0.91 0.00 0.00 33.84 32.57 1snl n VAL 77 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1snl s ASP 78 N -6.24 4.88 -0.13 4.52 -1.08 -1.23 -4.80 116.67 112.60 1snl s ASP 78 Ca -0.12 0.56 -0.10 0.00 -0.52 0.00 0.00 52.55 52.36 1snl s ASP 78 Cb 0.07 -2.52 -0.08 0.00 -1.46 0.00 0.00 42.92 38.93 1snl s ASP 78 CO 0.79 -2.65 0.16 0.71 0.52 0.00 0.00 175.17 174.70 1snl h THR 79 N 7.25 0.49 -0.68 1.71 1.35 -1.89 -3.37 112.91 117.77 1snl h THR 79 Ca -0.22 -1.41 -0.18 0.00 -0.55 0.00 0.00 66.41 64.04 1snl h THR 79 Cb 1.19 0.97 -0.11 0.00 -1.73 0.00 0.00 68.15 68.47 1snl h THR 79 CO 1.19 0.17 0.23 0.59 -0.25 0.00 0.00 175.52 177.45 1snl n ASN 80 N -4.68 4.73 -1.53 5.36 5.03 -1.26 -4.90 115.26 118.01 1snl n ASN 80 Ca -0.06 -3.09 0.00 0.00 0.87 0.00 0.00 54.58 52.29 1snl n ASN 80 Cb 0.22 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.25 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1snl n GLN 81 N -0.03 -1.82 -0.03 3.52 1.13 -1.26 -4.60 117.38 114.28 1snl n GLN 81 Ca 0.37 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.44 1snl n GLN 81 Cb 1.30 -3.36 0.03 0.00 0.11 0.00 0.00 30.24 28.32 1snl n GLN 81 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1snl n ASP 82 N -0.36 0.42 0.00 1.08 8.00 -1.26 -4.78 116.55 119.65 1snl n ASP 82 Ca 0.00 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1snl n ASP 82 Cb 0.23 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1snl n ARG 83 N -0.29 0.00 -4.84 -1.24 1.74 -1.26 -4.91 116.66 105.86 1snl n ARG 83 Ca 0.02 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.77 1snl n ARG 83 Cb 0.08 -3.56 -0.14 0.00 -1.02 0.00 0.00 32.46 27.82 1snl n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1snl s LEU 84 N 0.00 2.70 -0.14 0.55 1.43 -1.26 -4.03 118.68 117.93 1snl s LEU 84 Ca 0.00 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1snl s LEU 84 Cb 0.00 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1snl s LEU 84 CO 0.00 0.24 -0.09 -0.69 0.23 0.00 0.00 176.35 176.03 1snl s VAL 85 N -0.09 3.37 0.48 -1.59 1.01 -0.67 -4.81 120.40 118.10 1snl s VAL 85 Ca -0.02 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1snl s VAL 85 Cb -0.14 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1snl s VAL 85 CO 0.04 0.51 0.47 0.42 0.00 0.00 0.00 175.10 176.53 1snl s THR 86 N 0.37 2.30 0.23 3.92 -4.23 -1.26 0.20 115.64 117.17 1snl s THR 86 Ca -0.08 -1.31 -0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1snl s THR 86 Cb -0.15 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 1snl s THR 86 CO 0.05 0.00 1.59 0.25 -0.54 0.00 0.00 174.62 175.96 1snl h LEU 87 N 0.78 0.53 0.20 4.79 5.85 -1.98 -2.41 115.31 123.08 1snl h LEU 87 Ca -0.38 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.08 1snl h LEU 87 Cb 1.28 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1snl h LEU 87 CO 0.54 0.90 -0.10 -0.33 -0.34 0.00 0.00 178.44 179.11 1snl h GLU 88 N 0.40 -0.26 -0.07 1.25 4.39 -1.95 -2.36 114.58 115.98 1snl h GLU 88 Ca 0.03 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1snl h GLU 88 Cb 0.94 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1snl h GLU 88 CO 0.08 -0.18 -0.11 0.93 -1.16 0.00 0.00 179.01 178.57 1snl h GLU 89 N -0.28 0.11 0.22 2.33 4.39 -1.99 -2.91 114.58 116.45 1snl h GLU 89 Ca -0.03 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1snl h GLU 89 Cb 0.21 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1snl h GLU 89 CO 0.05 0.23 -0.12 0.35 -1.16 0.00 0.00 179.01 178.35 1snl h PHE 90 N 0.10 -0.31 -0.57 4.33 3.57 -1.41 -2.44 116.94 120.22 1snl h PHE 90 Ca 0.02 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.63 1snl h PHE 90 Cb 0.27 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 1snl h PHE 90 CO 0.00 -0.19 0.03 -0.07 -2.23 0.00 0.00 178.31 175.85 1snl h LEU 91 N -0.32 -0.19 -0.40 0.59 3.38 -1.22 -1.40 115.31 115.76 1snl h LEU 91 Ca -0.03 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1snl h LEU 91 Cb 0.25 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 1snl h LEU 91 CO 0.04 -0.07 -0.36 0.00 0.09 0.00 0.00 178.44 178.14 1snl h ALA 92 N 1.50 -0.25 -0.23 1.53 0.00 -1.37 0.32 119.26 120.76 1snl h ALA 92 Ca 0.29 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.36 1snl h ALA 92 Cb 0.46 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1snl h ALA 92 CO -0.46 -0.77 0.18 0.77 0.00 0.00 0.00 179.25 178.98 1snl h SER 93 N -0.28 0.00 -0.65 0.00 0.02 -0.91 0.66 113.55 112.39 1snl h SER 93 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1snl h SER 93 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1snl h SER 93 CO -0.55 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 175.49 1snl n THR 94 N -4.24 1.56 -0.46 -2.27 -2.24 0.91 -4.67 114.28 102.87 1snl n THR 94 Ca 0.03 -1.08 -0.09 0.00 -2.27 0.00 0.00 64.05 60.64 1snl n THR 94 Cb 0.33 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 1snl n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1snl n GLN 95 N 1.20 1.07 0.00 -0.78 10.64 0.22 -2.00 117.38 127.74 1snl n GLN 95 Ca 0.25 -0.68 0.00 0.00 -1.83 0.00 0.00 57.00 54.73 1snl n GLN 95 Cb 0.80 -1.92 0.00 0.00 -0.86 0.00 0.00 30.24 28.26 1snl n GLN 95 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1snl n ARG 96 N 3.34 0.00 0.31 2.61 3.00 -1.26 -4.93 116.66 119.73 1snl n ARG 96 Ca 0.23 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 58.19 1snl n ARG 96 Cb 0.29 0.00 0.59 0.00 0.00 0.00 0.00 32.46 33.33 1snl n ARG 96 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1snl h LYS 97 N 0.00 0.00 -5.31 -0.14 1.57 -1.71 -3.34 116.57 107.63 1snl h LYS 97 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1snl h LYS 97 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1snl h LYS 97 CO 0.00 0.00 0.21 -2.00 -0.57 0.00 0.00 179.45 177.09 1snl s GLU 98 N -3.95 1.61 0.00 3.15 2.12 -1.26 -5.19 118.70 115.18 1snl s GLU 98 Ca -0.02 -0.11 0.32 0.00 0.36 0.00 0.00 54.97 55.51 1snl s GLU 98 Cb 0.06 -4.93 1.87 0.00 0.26 0.00 0.00 34.13 31.39 1snl s GLU 98 CO 0.20 -4.71 2.21 1.19 -0.54 0.00 0.00 175.26 173.60