#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuq s SER 2 N 0.00 6.10 0.06 1.61 0.15 -1.26 -5.04 113.70 115.33 2yuq s SER 2 Ca 0.00 0.37 -0.37 0.00 0.70 0.00 0.00 55.95 56.65 2yuq s SER 2 Cb 0.00 -1.94 -0.18 0.00 -1.71 0.00 0.00 66.02 62.19 2yuq s SER 2 CO 0.00 0.38 1.21 -1.54 1.20 0.00 0.00 173.24 174.49 2yuq n SER 3 N 2.18 0.95 0.00 5.45 3.41 -1.26 -4.63 113.62 119.72 2yuq n SER 3 Ca -0.19 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 2yuq n SER 3 Cb 0.54 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 2yuq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yuq n GLY 4 N 2.10 -0.41 3.35 5.00 0.00 -1.26 -5.13 105.19 108.83 2yuq n GLY 4 Ca 0.19 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2yuq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yuq n SER 5 N 0.00 -2.14 -4.06 1.61 7.64 -1.26 -4.94 113.62 110.46 2yuq n SER 5 Ca 0.00 0.90 -0.32 0.00 1.01 0.00 0.00 58.87 60.46 2yuq n SER 5 Cb 0.00 -0.94 -0.15 0.00 -1.01 0.00 0.00 64.21 62.11 2yuq n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yuq s SER 6 N -0.99 4.52 0.00 6.43 0.01 -1.26 -4.84 113.70 117.57 2yuq s SER 6 Ca 0.61 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2yuq s SER 6 Cb -0.70 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2yuq s SER 6 CO 0.60 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.63 2yuq n GLY 7 N 4.39 0.43 2.86 3.44 0.00 -1.26 -5.10 105.19 109.95 2yuq n GLY 7 Ca -0.10 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 2yuq n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yuq s GLU 8 N 0.00 2.23 0.06 1.61 8.01 -1.26 -5.06 118.70 124.29 2yuq s GLU 8 Ca 0.00 -3.10 -0.26 0.00 0.01 0.00 0.00 54.97 51.61 2yuq s GLU 8 Cb 0.00 -3.21 0.08 0.00 -4.31 0.00 0.00 34.13 26.69 2yuq s GLU 8 CO 0.00 -1.27 0.71 -0.51 0.01 0.00 0.00 175.26 174.20 2yuq s ASP 9 N -1.11 -0.53 0.44 -0.19 1.01 -1.26 -5.19 116.67 109.85 2yuq s ASP 9 Ca 0.24 0.18 0.06 0.00 0.71 0.00 0.00 52.55 53.74 2yuq s ASP 9 Cb -0.08 0.52 -0.04 0.00 1.01 0.00 0.00 42.92 44.34 2yuq s ASP 9 CO -0.14 -0.78 0.16 0.20 0.21 0.00 0.00 175.17 174.82 2yuq s ASN 10 N -2.25 4.32 0.08 0.27 -0.87 -1.26 -5.15 114.94 110.07 2yuq s ASN 10 Ca -0.01 -1.23 0.09 0.00 -1.57 0.00 0.00 52.86 50.14 2yuq s ASN 10 Cb -0.01 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.25 40.99 2yuq s ASN 10 CO -0.06 -0.65 -0.24 -0.13 -2.57 0.00 0.00 177.10 173.45 2yuq s ARG 11 N -3.92 1.74 0.34 -0.60 3.00 -1.26 -5.12 118.95 113.13 2yuq s ARG 11 Ca 0.34 -1.16 -0.26 0.00 0.00 0.00 0.00 55.73 54.65 2yuq s ARG 11 Cb 0.04 -2.01 -0.09 0.00 0.00 0.00 0.00 34.95 32.88 2yuq s ARG 11 CO 0.19 0.50 1.01 1.03 0.00 0.00 0.00 175.30 178.02 2yuq s ARG 12 N -1.60 4.47 0.48 3.54 0.52 -1.26 -5.02 118.95 120.07 2yuq s ARG 12 Ca 0.14 1.48 -0.22 0.00 -0.52 0.00 0.00 55.73 56.60 2yuq s ARG 12 Cb -0.10 -2.81 -0.07 0.00 0.52 0.00 0.00 34.95 32.49 2yuq s ARG 12 CO 0.05 0.14 1.16 -1.25 0.02 0.00 0.00 175.30 175.41 2yuq s PRO 13 N -2.05 3.68 -0.05 3.54 0.04 -1.26 -5.01 135.00 133.90 2yuq s PRO 13 Ca 0.51 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 63.29 2yuq s PRO 13 Cb -0.22 -2.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.98 2yuq s PRO 13 CO 0.28 -0.61 -0.02 -0.07 0.04 0.00 0.00 177.00 176.63 2yuq h LEU 14 N 1.88 0.00 0.00 -3.56 4.07 -2.07 -3.48 115.31 112.15 2yuq h LEU 14 Ca -0.49 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.16 2yuq h LEU 14 Cb 1.25 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.01 2yuq h LEU 14 CO 0.60 0.26 -0.04 0.79 -1.08 0.00 0.00 178.44 178.96 2yuq n TRP 15 N -3.32 -2.55 -2.56 1.13 7.02 -1.26 -5.09 117.44 110.81 2yuq n TRP 15 Ca -0.01 -1.35 -0.37 0.00 -1.02 0.00 0.00 57.50 54.75 2yuq n TRP 15 Cb 0.02 -0.35 -0.04 0.00 -2.42 0.00 0.00 31.31 28.52 2yuq n TRP 15 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2yuq s GLU 16 N -3.68 4.32 0.02 -0.99 2.02 -1.26 -4.98 118.70 114.14 2yuq s GLU 16 Ca 0.39 1.55 -0.22 0.00 0.02 0.00 0.00 54.97 56.71 2yuq s GLU 16 Cb -0.03 -2.72 -0.16 0.00 0.10 0.00 0.00 34.13 31.32 2yuq s GLU 16 CO 0.25 -0.01 1.32 -1.00 0.02 0.00 0.00 175.26 175.84 2yuq h PRO 17 N 2.88 0.24 -0.46 0.39 0.13 -2.00 -3.27 132.00 129.90 2yuq h PRO 17 Ca -0.48 -0.12 -0.05 0.00 -0.87 0.00 0.00 66.00 64.48 2yuq h PRO 17 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2yuq h PRO 17 CO 0.64 0.65 0.09 1.05 -0.23 0.00 0.00 178.00 180.20 2yuq h GLU 18 N -0.17 0.74 -7.11 0.86 4.11 -2.07 -3.44 114.58 107.50 2yuq h GLU 18 Ca 0.02 -0.19 -0.55 0.00 0.07 0.00 0.00 59.36 58.70 2yuq h GLU 18 Cb 0.61 -0.09 0.15 0.00 0.50 0.00 0.00 28.75 29.92 2yuq h GLU 18 CO 0.02 0.75 0.51 -1.21 0.07 0.00 0.00 179.01 179.15 2yuq s GLU 19 N -5.24 2.58 -0.32 1.06 0.41 -1.23 -4.96 118.70 111.00 2yuq s GLU 19 Ca -0.13 2.03 -0.20 0.00 -0.41 0.00 0.00 54.97 56.27 2yuq s GLU 19 Cb 0.11 -1.85 -0.01 0.00 -1.78 0.00 0.00 34.13 30.60 2yuq s GLU 19 CO 0.79 -1.57 0.59 0.99 -0.49 0.00 0.00 175.26 175.57 2yuq s THR 20 N -1.43 4.96 -0.15 3.63 2.01 -1.26 -4.84 115.64 118.56 2yuq s THR 20 Ca 0.82 0.72 -0.07 0.00 0.31 0.00 0.00 61.69 63.46 2yuq s THR 20 Cb -0.37 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2yuq s THR 20 CO 0.39 -0.16 0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 2yuq s VAL 21 N 2.55 5.23 0.11 3.82 1.01 -1.26 -1.84 120.40 130.02 2yuq s VAL 21 Ca 0.23 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.38 2yuq s VAL 21 Cb -0.15 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2yuq s VAL 21 CO 0.12 0.54 -0.14 0.68 0.00 0.00 0.00 175.10 176.30 2yuq s VAL 22 N -0.39 1.32 0.04 2.92 -7.23 -0.23 -2.13 120.40 114.70 2yuq s VAL 22 Ca 0.11 -1.66 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 2yuq s VAL 22 Cb -0.12 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 2yuq s VAL 22 CO 0.01 -0.38 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.57 2yuq s ILE 23 N -1.99 1.83 -0.02 -0.62 1.01 -0.21 0.24 121.20 121.44 2yuq s ILE 23 Ca 0.07 -1.25 -0.23 0.00 0.00 0.00 0.00 60.65 59.25 2yuq s ILE 23 Cb -0.06 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 2yuq s ILE 23 CO 0.03 0.28 0.70 0.00 0.00 0.00 0.00 174.94 175.95 2yuq s ALA 24 N -0.78 3.37 0.11 9.38 0.00 -1.10 -0.33 121.76 132.41 2yuq s ALA 24 Ca 0.09 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.23 2yuq s ALA 24 Cb -0.09 -2.93 -0.21 0.00 0.00 0.00 0.00 23.12 19.89 2yuq s ALA 24 CO 0.02 -0.00 1.24 -0.07 0.00 0.00 0.00 175.76 176.94 2yuq h LEU 25 N 6.23 0.20 -8.49 0.00 3.38 -1.19 -3.13 115.31 112.31 2yuq h LEU 25 Ca -0.43 -0.21 -0.31 0.00 0.09 0.00 0.00 57.88 57.03 2yuq h LEU 25 Cb 1.20 -0.06 -0.17 0.00 0.09 0.00 0.00 40.66 41.72 2yuq h LEU 25 CO 0.73 1.14 -0.72 -0.31 0.09 0.00 0.00 178.44 179.37 2yuq s TYR 26 N -2.75 1.08 -0.83 1.13 1.51 -1.26 -4.76 117.35 111.46 2yuq s TYR 26 Ca -0.01 -0.71 -0.25 0.00 -1.01 0.00 0.00 57.07 55.08 2yuq s TYR 26 Cb 0.09 -0.59 0.02 0.00 -0.11 0.00 0.00 41.96 41.37 2yuq s TYR 26 CO 0.85 -0.00 1.52 0.34 -1.11 0.00 0.00 175.55 177.15 2yuq s ASP 27 N -2.67 5.98 0.31 2.29 -1.08 -1.26 -4.38 116.67 115.86 2yuq s ASP 27 Ca 0.09 -0.68 -0.25 0.00 -0.52 0.00 0.00 52.55 51.18 2yuq s ASP 27 Cb -0.01 -2.56 -0.10 0.00 -1.46 0.00 0.00 42.92 38.80 2yuq s ASP 27 CO -0.00 -1.95 0.91 -0.47 0.52 0.00 0.00 175.17 174.18 2yuq s TYR 28 N 6.65 3.68 0.09 -5.34 5.04 -0.99 -4.92 117.35 121.55 2yuq s TYR 28 Ca 0.49 1.72 0.05 0.00 -2.44 0.00 0.00 57.07 56.88 2yuq s TYR 28 Cb -0.06 -2.87 -0.03 0.00 0.35 0.00 0.00 41.96 39.34 2yuq s TYR 28 CO 0.05 0.22 -0.13 -0.65 -1.34 0.00 0.00 175.55 173.71 2yuq s GLN 29 N -2.07 0.88 -0.23 4.97 -0.21 -1.26 -1.40 119.66 120.33 2yuq s GLN 29 Ca 0.49 -1.10 -0.27 0.00 0.02 0.00 0.00 55.36 54.50 2yuq s GLN 29 Cb -0.18 -0.74 0.12 0.00 1.00 0.00 0.00 33.01 33.22 2yuq s GLN 29 CO 0.23 0.14 1.01 -0.08 -2.12 0.00 0.00 175.29 174.47 2yuq s THR 30 N -1.92 0.00 -0.39 -0.19 -1.32 -1.26 -4.88 115.64 105.68 2yuq s THR 30 Ca 0.03 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.56 2yuq s THR 30 Cb -0.06 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.38 2yuq s THR 30 CO 0.02 0.00 1.40 0.59 -2.21 0.00 0.00 174.62 174.41 2yuq n ASN 31 N 1.61 5.61 -4.11 8.08 4.13 -1.26 -4.68 115.26 124.64 2yuq n ASN 31 Ca -0.12 -3.76 -0.17 0.00 1.68 0.00 0.00 54.58 52.21 2yuq n ASN 31 Cb 0.57 -0.50 -0.13 0.00 -1.54 0.00 0.00 39.78 38.18 2yuq n ASN 31 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2yuq s ASP 32 N -3.15 1.32 0.27 6.41 1.11 -1.26 -5.05 116.67 116.31 2yuq s ASP 32 Ca 0.54 -0.48 0.04 0.00 0.18 0.00 0.00 52.55 52.84 2yuq s ASP 32 Cb 0.43 -0.05 0.36 0.00 1.07 0.00 0.00 42.92 44.73 2yuq s ASP 32 CO 0.02 -0.06 1.65 1.55 1.18 0.00 0.00 175.17 179.50 2yuq h PRO 33 N 4.78 0.31 0.00 8.23 0.13 -1.98 -2.91 132.00 140.56 2yuq h PRO 33 Ca -0.37 -0.16 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 2yuq h PRO 33 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2yuq h PRO 33 CO 0.43 0.70 -0.30 -0.56 -0.23 0.00 0.00 178.00 178.04 2yuq h GLN 34 N 0.25 0.00 -6.53 0.86 3.07 -1.96 -3.44 115.11 107.36 2yuq h GLN 34 Ca 0.02 0.00 -0.65 0.00 0.09 0.00 0.00 58.65 58.11 2yuq h GLN 34 Cb 0.90 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 28.31 2yuq h GLN 34 CO 0.07 0.30 -0.73 -1.21 0.09 0.00 0.00 178.83 177.35 2yuq s GLU 35 N -3.74 2.10 0.12 0.06 2.02 -1.10 -1.56 118.70 116.61 2yuq s GLU 35 Ca -0.00 -1.11 0.10 0.00 0.02 0.00 0.00 54.97 53.98 2yuq s GLU 35 Cb 0.11 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 2yuq s GLU 35 CO 0.66 0.48 -0.23 -1.17 0.02 0.00 0.00 175.26 175.02 2yuq s LEU 36 N -2.42 2.48 -0.17 1.80 2.96 -1.26 -4.45 118.68 117.61 2yuq s LEU 36 Ca 0.22 -0.67 -0.15 0.00 -0.22 0.00 0.00 54.13 53.32 2yuq s LEU 36 Cb -0.10 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 2yuq s LEU 36 CO 0.14 0.18 0.33 0.00 -1.32 0.00 0.00 176.35 175.68 2yuq s ALA 37 N -1.09 3.57 0.44 5.97 0.00 -1.26 -4.73 121.76 124.66 2yuq s ALA 37 Ca 0.16 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.69 2yuq s ALA 37 Cb -0.10 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.55 2yuq s ALA 37 CO 0.08 -0.02 0.63 -0.51 0.00 0.00 0.00 175.76 175.93 2yuq s LEU 38 N 0.71 3.63 0.13 0.00 1.43 -0.50 -4.94 118.68 119.14 2yuq s LEU 38 Ca 0.18 -0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.34 2yuq s LEU 38 Cb -0.14 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2yuq s LEU 38 CO 0.05 -0.76 -0.23 -0.60 0.23 0.00 0.00 176.35 175.03 2yuq s ARG 39 N -4.48 1.29 -0.02 1.70 3.52 -1.26 -2.36 118.95 117.33 2yuq s ARG 39 Ca 0.51 -1.29 -0.30 0.00 -0.13 0.00 0.00 55.73 54.52 2yuq s ARG 39 Cb -0.10 -1.64 -0.05 0.00 -1.56 0.00 0.00 34.95 31.61 2yuq s ARG 39 CO 0.35 0.38 1.34 0.50 -0.81 0.00 0.00 175.30 177.07 2yuq s ARG 40 N -2.11 4.30 -0.82 5.12 3.52 -1.26 -3.19 118.95 124.51 2yuq s ARG 40 Ca 0.12 1.88 -0.02 0.00 -0.13 0.00 0.00 55.73 57.57 2yuq s ARG 40 Cb -0.09 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 2yuq s ARG 40 CO 0.06 -0.55 0.70 0.09 -0.81 0.00 0.00 175.30 174.79 2yuq n ASN 41 N 5.38 -3.06 -3.98 -2.12 4.13 -1.18 -4.99 115.26 109.43 2yuq n ASN 41 Ca 0.13 -0.39 -0.21 0.00 1.68 0.00 0.00 54.58 55.79 2yuq n ASN 41 Cb 0.44 -3.50 -0.16 0.00 -1.54 0.00 0.00 39.78 35.02 2yuq n ASN 41 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2yuq s GLU 42 N -5.24 1.07 0.47 3.52 0.41 -1.19 -5.01 118.70 112.73 2yuq s GLU 42 Ca 0.14 -0.28 -0.13 0.00 -0.41 0.00 0.00 54.97 54.29 2yuq s GLU 42 Cb -0.06 -0.98 -0.07 0.00 -1.78 0.00 0.00 34.13 31.24 2yuq s GLU 42 CO 0.48 0.05 0.89 -1.21 -0.49 0.00 0.00 175.26 174.98 2yuq s GLU 43 N 0.44 3.84 -0.07 1.61 2.02 -1.26 -2.71 118.70 122.56 2yuq s GLU 43 Ca -0.07 0.70 -0.12 0.00 0.02 0.00 0.00 54.97 55.49 2yuq s GLU 43 Cb -0.11 -2.25 0.03 0.00 0.10 0.00 0.00 34.13 31.89 2yuq s GLU 43 CO 0.01 -0.18 0.30 0.71 0.02 0.00 0.00 175.26 176.12 2yuq s TYR 44 N -2.55 -0.26 -0.18 1.61 1.51 0.14 -4.63 117.35 112.98 2yuq s TYR 44 Ca 0.55 0.56 -0.20 0.00 -1.01 0.00 0.00 57.07 56.96 2yuq s TYR 44 Cb -0.10 0.10 -0.03 0.00 -0.11 0.00 0.00 41.96 41.82 2yuq s TYR 44 CO 0.33 -0.27 0.59 0.00 -1.11 0.00 0.00 175.55 175.10 2yuq s LEU 46 N 1.67 4.08 -0.13 0.00 2.96 -0.77 -0.25 118.68 126.25 2yuq s LEU 46 Ca 0.28 1.53 -0.12 0.00 -0.22 0.00 0.00 54.13 55.60 2yuq s LEU 46 Cb -0.16 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 2yuq s LEU 46 CO 0.11 -0.86 0.21 -0.07 -1.32 0.00 0.00 176.35 174.42 2yuq h LEU 47 N 10.07 0.00 -7.58 -0.68 3.38 -0.75 -3.44 115.31 116.32 2yuq h LEU 47 Ca -0.26 -0.34 -0.16 0.00 0.09 0.00 0.00 57.88 57.21 2yuq h LEU 47 Cb 1.10 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.61 2yuq h LEU 47 CO 0.99 0.80 -0.47 -0.62 0.09 0.00 0.00 178.44 179.23 2yuq s ASP 48 N -5.92 -0.15 -0.34 -0.43 2.15 -0.78 -5.05 116.67 106.15 2yuq s ASP 48 Ca -0.11 0.23 0.06 0.00 0.43 0.00 0.00 52.55 53.16 2yuq s ASP 48 Cb 0.00 0.35 0.47 0.00 -0.30 0.00 0.00 42.92 43.44 2yuq s ASP 48 CO 0.30 -0.17 1.40 -1.54 -0.17 0.00 0.00 175.17 174.99 2yuq n SER 49 N 2.47 4.39 -0.11 -0.34 3.41 -1.26 -1.91 113.62 120.27 2yuq n SER 49 Ca -0.16 -3.79 -0.08 0.00 -0.26 0.00 0.00 58.87 54.58 2yuq n SER 49 Cb 0.58 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 2yuq n SER 49 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2yuq h SER 50 N 1.72 -1.17 -3.13 4.04 0.87 -1.97 -3.42 113.55 110.49 2yuq h SER 50 Ca 0.33 0.20 -0.45 0.00 -1.23 0.00 0.00 61.79 60.64 2yuq h SER 50 Cb 1.40 0.53 0.07 0.00 -0.44 0.00 0.00 62.40 63.97 2yuq h SER 50 CO 0.72 -0.34 0.14 -1.61 -0.53 0.00 0.00 176.83 175.21 2yuq s GLU 51 N -5.96 2.13 -0.21 2.24 0.41 -1.25 -5.06 118.70 111.00 2yuq s GLU 51 Ca -0.15 -0.56 -0.15 0.00 -0.41 0.00 0.00 54.97 53.69 2yuq s GLU 51 Cb 0.13 -2.27 -0.08 0.00 -1.78 0.00 0.00 34.13 30.12 2yuq s GLU 51 CO 0.67 -1.18 -0.34 -0.89 -0.49 0.00 0.00 175.26 173.03 2yuq n ILE 52 N -2.78 1.47 0.08 -1.63 5.41 -1.26 -4.59 119.36 116.06 2yuq n ILE 52 Ca 0.10 -0.08 -0.04 0.00 1.00 0.00 0.00 62.75 63.72 2yuq n ILE 52 Cb 0.60 -2.11 0.16 0.00 -0.71 0.00 0.00 39.64 37.58 2yuq n ILE 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 2yuq h HIS 53 N -0.95 0.32 -3.32 1.39 3.86 -1.97 -3.42 115.15 111.06 2yuq h HIS 53 Ca -0.30 -0.11 -0.66 0.00 -1.16 0.00 0.00 60.37 58.14 2yuq h HIS 53 Cb 1.24 -0.06 -0.28 0.00 1.06 0.00 0.00 27.41 29.37 2yuq h HIS 53 CO -0.26 0.72 -0.76 -1.58 0.86 0.00 0.00 177.93 176.92 2yuq s TRP 54 N -3.93 2.87 0.03 2.45 0.52 -1.26 -0.96 118.94 118.65 2yuq s TRP 54 Ca -0.04 -0.82 0.09 0.00 0.02 0.00 0.00 56.10 55.34 2yuq s TRP 54 Cb 0.12 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 2yuq s TRP 54 CO 0.79 -0.37 -0.26 -1.58 0.02 0.00 0.00 176.95 175.55 2yuq s TRP 55 N 0.81 2.34 -0.48 -1.98 0.51 -0.58 -3.83 118.94 115.74 2yuq s TRP 55 Ca -0.04 -0.41 -0.17 0.00 -2.12 0.00 0.00 56.10 53.37 2yuq s TRP 55 Cb -0.15 -1.43 0.06 0.00 -0.81 0.00 0.00 33.47 31.14 2yuq s TRP 55 CO 0.01 0.09 0.50 0.50 -0.51 0.00 0.00 176.95 177.54 2yuq s ARG 56 N -1.09 3.05 0.38 4.98 3.52 -0.80 -2.26 118.95 126.73 2yuq s ARG 56 Ca 0.11 -1.09 0.08 0.00 -0.13 0.00 0.00 55.73 54.71 2yuq s ARG 56 Cb -0.10 -4.10 -0.07 0.00 -1.56 0.00 0.00 34.95 29.12 2yuq s ARG 56 CO 0.01 -1.09 -0.04 0.14 -0.81 0.00 0.00 175.30 173.51 2yuq s VAL 57 N 2.12 2.13 -0.00 7.11 -7.23 -1.23 -0.01 120.40 123.28 2yuq s VAL 57 Ca 0.10 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 2yuq s VAL 57 Cb -0.21 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 2yuq s VAL 57 CO 0.10 -0.10 -0.21 -1.58 -0.31 0.00 0.00 175.10 172.99 2yuq s GLN 58 N -3.66 1.66 0.63 4.82 0.74 0.66 -3.05 119.66 121.45 2yuq s GLN 58 Ca 0.34 -0.81 -0.08 0.00 0.05 0.00 0.00 55.36 54.86 2yuq s GLN 58 Cb 0.06 -1.64 0.00 0.00 1.10 0.00 0.00 33.01 32.53 2yuq s GLN 58 CO 0.17 0.44 0.98 0.34 -0.55 0.00 0.00 175.29 176.67 2yuq s ASP 59 N -0.65 5.64 0.55 6.67 2.15 0.13 -2.15 116.67 129.00 2yuq s ASP 59 Ca 0.08 0.94 0.22 0.00 0.43 0.00 0.00 52.55 54.22 2yuq s ASP 59 Cb -0.08 -1.89 1.49 0.00 -0.30 0.00 0.00 42.92 42.13 2yuq s ASP 59 CO -0.00 -1.11 2.19 -0.09 -0.17 0.00 0.00 175.17 175.98 2yuq h ARG 60 N -0.33 0.00 0.02 4.34 2.43 -1.89 -2.64 114.38 116.31 2yuq h ARG 60 Ca -0.45 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 2yuq h ARG 60 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2yuq h ARG 60 CO 0.62 0.01 -0.21 -0.91 -1.51 0.00 0.00 179.97 177.97 2yuq h ASN 61 N 0.00 0.15 0.00 -3.80 2.35 -1.99 -3.48 115.58 108.81 2yuq h ASN 61 Ca -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 2yuq h ASN 61 Cb 0.01 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2yuq h ASN 61 CO 0.00 1.01 0.00 0.61 -1.65 0.00 0.00 177.43 177.40 2yuq n GLY 62 N 1.31 0.02 3.19 2.83 0.00 -0.99 -5.15 105.19 106.38 2yuq n GLY 62 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2yuq n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yuq s HIS 63 N -0.02 2.40 0.45 1.61 3.76 -1.26 -4.87 115.29 117.36 2yuq s HIS 63 Ca 0.00 -0.99 0.03 0.00 -0.15 0.00 0.00 55.06 53.96 2yuq s HIS 63 Cb 0.00 -1.62 -0.02 0.00 1.11 0.00 0.00 32.58 32.06 2yuq s HIS 63 CO 0.00 -0.41 0.10 -1.83 -0.85 0.00 0.00 174.74 171.76 2yuq s GLU 64 N 0.41 2.05 0.00 1.40 4.04 -1.26 0.21 118.70 125.56 2yuq s GLU 64 Ca -0.18 -2.28 0.00 0.00 0.04 0.00 0.00 54.97 52.55 2yuq s GLU 64 Cb -0.18 -0.83 0.00 0.00 0.02 0.00 0.00 34.13 33.15 2yuq s GLU 64 CO 0.08 -0.49 0.00 0.41 -1.84 0.00 0.00 175.26 173.42 2yuq n GLY 65 N -1.04 -2.20 3.47 -3.83 0.00 -1.17 -4.39 105.19 96.03 2yuq n GLY 65 Ca -0.10 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 2yuq n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yuq s TYR 66 N -2.43 2.92 0.16 1.61 2.02 -0.60 -3.50 117.35 117.52 2yuq s TYR 66 Ca 0.00 -0.35 0.08 0.00 -0.37 0.00 0.00 57.07 56.43 2yuq s TYR 66 Cb 0.00 -3.81 -0.04 0.00 -0.40 0.00 0.00 41.96 37.71 2yuq s TYR 66 CO 0.00 -1.20 -0.06 0.14 -1.57 0.00 0.00 175.55 172.85 2yuq s VAL 67 N 3.23 3.42 -0.44 0.71 -7.23 -0.96 -4.10 120.40 115.03 2yuq s VAL 67 Ca 0.21 -1.47 -0.28 0.00 -1.81 0.00 0.00 61.98 58.63 2yuq s VAL 67 Cb -0.17 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2yuq s VAL 67 CO 0.14 -0.05 1.75 -2.16 -0.31 0.00 0.00 175.10 174.48 2yuq s PRO 68 N -2.70 3.13 0.45 4.82 0.04 -1.26 -1.53 135.00 137.95 2yuq s PRO 68 Ca 0.25 1.06 0.34 0.00 0.04 0.00 0.00 61.00 62.70 2yuq s PRO 68 Cb -0.10 -4.23 1.49 0.00 0.04 0.00 0.00 34.50 31.70 2yuq s PRO 68 CO 0.16 -2.11 1.51 -1.13 0.04 0.00 0.00 177.00 175.48 2yuq n SER 69 N 10.88 0.17 -0.30 6.66 3.41 -0.13 0.37 113.62 134.68 2yuq n SER 69 Ca 0.21 1.29 0.12 0.00 -0.26 0.00 0.00 58.87 60.22 2yuq n SER 69 Cb 0.49 -0.63 0.26 0.00 -0.26 0.00 0.00 64.21 64.06 2yuq n SER 69 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2yuq h SER 70 N 0.00 -0.21 -0.28 4.04 0.02 -1.89 0.21 113.55 115.44 2yuq h SER 70 Ca 0.86 0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 61.91 2yuq h SER 70 Cb 2.91 0.34 -0.00 0.00 0.14 0.00 0.00 62.40 65.78 2yuq h SER 70 CO -0.38 -0.22 -0.30 1.88 -1.14 0.00 0.00 176.83 176.67 2yuq h TYR 71 N 0.13 0.83 -3.88 3.45 -1.99 -0.45 -3.44 116.97 111.62 2yuq h TYR 71 Ca 0.53 -0.26 -0.51 0.00 2.00 0.00 0.00 58.73 60.49 2yuq h TYR 71 Cb 1.06 -0.17 0.04 0.00 2.00 0.00 0.00 36.73 39.66 2yuq h TYR 71 CO -0.36 1.00 0.54 -0.51 -0.00 0.00 0.00 178.16 178.83 2yuq s LEU 72 N -8.95 4.40 -0.02 3.88 1.43 0.73 -0.65 118.68 119.49 2yuq s LEU 72 Ca -0.12 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 2yuq s LEU 72 Cb 0.08 -3.76 0.02 0.00 0.03 0.00 0.00 46.19 42.57 2yuq s LEU 72 CO 0.83 -0.45 0.00 0.68 0.23 0.00 0.00 176.35 177.64 2yuq s VAL 73 N -1.23 0.12 -0.33 -1.59 -7.23 0.55 -4.87 120.40 105.82 2yuq s VAL 73 Ca 0.50 0.08 -0.28 0.00 -1.81 0.00 0.00 61.98 60.47 2yuq s VAL 73 Cb -0.34 -0.20 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 2yuq s VAL 73 CO 0.45 0.11 1.94 -0.70 -0.31 0.00 0.00 175.10 176.58 2yuq s GLU 74 N 0.79 3.18 -0.71 4.82 2.12 -1.26 -1.04 118.70 126.59 2yuq s GLU 74 Ca -0.07 1.52 -0.31 0.00 0.36 0.00 0.00 54.97 56.47 2yuq s GLU 74 Cb -0.11 -4.27 -0.16 0.00 0.26 0.00 0.00 34.13 29.86 2yuq s GLU 74 CO -0.02 -2.05 2.50 1.17 -0.54 0.00 0.00 175.26 176.33 2yuq n LYS 75 N 8.59 0.48 -1.73 4.30 3.00 -0.91 -4.85 118.16 127.04 2yuq n LYS 75 Ca 0.25 0.04 -0.40 0.00 -0.00 0.00 0.00 58.31 58.20 2yuq n LYS 75 Cb 0.47 -2.24 0.03 0.00 0.00 0.00 0.00 35.03 33.28 2yuq n LYS 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2yuq n SER 76 N 11.90 2.79 0.24 3.14 7.64 -1.26 -4.90 113.62 133.18 2yuq n SER 76 Ca 0.53 1.06 0.12 0.00 1.01 0.00 0.00 58.87 61.59 2yuq n SER 76 Cb 0.21 -1.56 0.57 0.00 -1.01 0.00 0.00 64.21 62.43 2yuq n SER 76 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2yuq h PRO 77 N 1.90 0.00 -4.84 1.43 0.13 -2.03 -3.40 132.00 125.19 2yuq h PRO 77 Ca -0.50 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 2yuq h PRO 77 Cb 1.29 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.05 2yuq h PRO 77 CO 0.59 0.15 -0.80 1.21 -0.23 0.00 0.00 178.00 178.92 2yuq s ASN 78 N -6.06 4.32 0.69 1.44 3.84 -1.26 -5.11 114.94 112.80 2yuq s ASN 78 Ca -0.00 -1.34 -0.17 0.00 0.21 0.00 0.00 52.86 51.57 2yuq s ASN 78 Cb 0.11 -1.52 -0.01 0.00 -0.55 0.00 0.00 41.25 39.28 2yuq s ASN 78 CO 0.60 -0.18 0.95 0.59 -2.79 0.00 0.00 177.10 176.27 2yuq n ASN 79 N 4.46 0.49 -3.40 -4.21 4.13 -1.26 -4.89 115.26 110.59 2yuq n ASN 79 Ca -0.14 0.71 -0.39 0.00 1.68 0.00 0.00 54.58 56.43 2yuq n ASN 79 Cb 0.43 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.27 2yuq n ASN 79 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2yuq n LEU 80 N -1.33 7.64 -4.53 3.41 4.77 -1.26 -4.90 117.00 120.80 2yuq n LEU 80 Ca 0.13 -4.97 -0.43 0.00 -0.03 0.00 0.00 56.01 50.71 2yuq n LEU 80 Cb 0.49 -1.27 -0.00 0.00 -2.33 0.00 0.00 43.42 40.31 2yuq n LEU 80 CO 0.49 2.01 1.72 -1.61 -1.33 0.00 0.00 177.39 178.66 2yuq s GLU 81 N -2.42 3.99 -0.17 3.23 2.02 -1.26 -4.88 118.70 119.22 2yuq s GLU 81 Ca 0.50 -2.15 -0.30 0.00 0.02 0.00 0.00 54.97 53.04 2yuq s GLU 81 Cb 0.22 -5.34 0.14 0.00 0.10 0.00 0.00 34.13 29.24 2yuq s GLU 81 CO -0.14 -2.07 1.06 -0.08 0.02 0.00 0.00 175.26 174.05 2yuq s THR 82 N 3.29 0.00 0.06 3.63 -1.32 -1.26 -5.13 115.64 114.91 2yuq s THR 82 Ca 0.49 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.67 2yuq s THR 82 Cb 0.01 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.91 2yuq s THR 82 CO 0.04 0.00 1.94 -0.31 -2.21 0.00 0.00 174.62 174.08 2yuq s TYR 83 N -1.34 1.47 -0.36 9.09 1.51 -1.26 -4.96 117.35 121.50 2yuq s TYR 83 Ca 0.01 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 2yuq s TYR 83 Cb -0.01 -4.23 0.11 0.00 -0.11 0.00 0.00 41.96 37.72 2yuq s TYR 83 CO -0.01 -5.43 0.11 -1.21 -1.11 0.00 0.00 175.55 167.89 2yuq s GLU 84 N 4.08 1.28 0.00 -0.62 0.41 -1.26 -5.27 118.70 117.32 2yuq s GLU 84 Ca 0.87 -1.74 0.06 0.00 -0.41 0.00 0.00 54.97 53.76 2yuq s GLU 84 Cb -0.43 -2.76 0.05 0.00 -1.78 0.00 0.00 34.13 29.21 2yuq s GLU 84 CO 0.40 -1.00 0.70 -2.67 -0.49 0.00 0.00 175.26 172.21