#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 -0.09 0.27 1.61 0.01 -1.26 -5.18 113.70 109.06 2yuq s SER 2 Ca 0.00 -0.07 -0.07 0.00 1.31 0.00 0.00 55.95 57.12 2yuq s SER 2 Cb 0.00 0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 2yuq s SER 2 CO 0.00 -0.44 0.40 -0.55 0.41 0.00 0.00 173.24 173.06 2yuq s SER 3 N -1.46 0.29 0.00 2.44 0.15 -1.26 -5.15 113.70 108.71 2yuq s SER 3 Ca -0.13 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2yuq s SER 3 Cb -0.05 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2yuq s SER 3 CO 0.02 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 173.94 2yuq n GLY 4 N -0.42 3.00 2.77 9.45 0.00 -1.26 -5.11 105.19 113.63 2yuq n GLY 4 Ca -0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2yuq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuq s SER 5 N 0.00 3.82 -0.18 1.61 0.15 -1.26 -5.07 113.70 112.78 2yuq s SER 5 Ca 0.00 -3.07 0.01 0.00 0.70 0.00 0.00 55.95 53.59 2yuq s SER 5 Cb 0.00 -1.24 0.03 0.00 -1.71 0.00 0.00 66.02 63.10 2yuq s SER 5 CO 0.00 -0.20 -0.12 -0.44 1.20 0.00 0.00 173.24 173.68 2yuq s SER 6 N -0.27 3.10 0.00 5.45 0.01 -1.26 -5.05 113.70 115.67 2yuq s SER 6 Ca 0.21 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2yuq s SER 6 Cb -0.16 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2yuq s SER 6 CO -0.06 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2yuq n GLY 7 N 4.72 1.33 3.64 3.44 0.00 -1.26 -5.07 105.19 112.00 2yuq n GLY 7 Ca -0.16 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 1.26 4.17 -0.05 1.61 8.01 -1.26 -4.97 118.70 127.47 2yuq s GLU 8 Ca 0.00 0.64 -0.20 0.00 0.01 0.00 0.00 54.97 55.42 2yuq s GLU 8 Cb 0.00 -3.61 -0.14 0.00 -4.31 0.00 0.00 34.13 26.06 2yuq s GLU 8 CO 0.00 -0.34 0.81 0.38 0.01 0.00 0.00 175.26 176.11 2yuq h ASP 9 N 7.67 -0.22 -4.95 -0.19 2.03 -2.03 -3.48 116.42 115.25 2yuq h ASP 9 Ca -0.28 -0.29 -0.06 0.00 -0.73 0.00 0.00 57.03 55.67 2yuq h ASP 9 Cb 1.13 0.06 -0.19 0.00 -0.83 0.00 0.00 39.33 39.49 2yuq h ASP 9 CO 0.79 0.32 0.20 0.54 -1.03 0.00 0.00 179.24 180.05 2yuq s ASN 10 N -5.40 -0.65 -0.03 4.15 4.22 -1.26 -5.18 114.94 110.80 2yuq s ASN 10 Ca -0.12 0.72 -0.04 0.00 -2.14 0.00 0.00 52.86 51.29 2yuq s ASN 10 Cb 0.00 0.55 0.01 0.00 1.28 0.00 0.00 41.25 43.09 2yuq s ASN 10 CO 0.43 -0.60 0.10 0.00 -2.04 0.00 0.00 177.10 174.99 2yuq s ARG 11 N -1.16 0.20 0.06 3.55 1.70 -1.26 -5.10 118.95 116.94 2yuq s ARG 11 Ca -0.11 -0.01 0.05 0.00 -0.47 0.00 0.00 55.73 55.19 2yuq s ARG 11 Cb -0.00 0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.44 2yuq s ARG 11 CO 0.10 -0.04 -0.14 1.03 -1.08 0.00 0.00 175.30 175.17 2yuq s ARG 12 N -0.33 0.81 0.32 3.89 0.52 -1.26 -5.14 118.95 117.77 2yuq s ARG 12 Ca -0.04 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 53.99 2yuq s ARG 12 Cb -0.03 -0.80 -0.10 0.00 0.52 0.00 0.00 34.95 34.54 2yuq s ARG 12 CO 0.00 0.18 1.22 -1.25 0.02 0.00 0.00 175.30 175.48 2yuq s PRO 13 N -1.61 4.41 -0.06 3.54 0.04 -1.26 -4.98 135.00 135.09 2yuq s PRO 13 Ca -0.02 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.81 2yuq s PRO 13 Cb -0.10 -3.06 -0.19 0.00 0.04 0.00 0.00 34.50 31.19 2yuq s PRO 13 CO 0.02 -0.07 1.01 -0.07 0.04 0.00 0.00 177.00 177.92 2yuq h LEU 14 N 3.43 -0.08 0.00 -3.56 4.07 -2.01 -3.43 115.31 113.74 2yuq h LEU 14 Ca -0.48 -0.53 0.00 0.00 0.08 0.00 0.00 57.88 56.95 2yuq h LEU 14 Cb 1.22 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.98 2yuq h LEU 14 CO 0.66 0.53 -0.47 0.79 -1.08 0.00 0.00 178.44 178.87 2yuq n TRP 15 N -4.84 0.00 -3.57 1.13 7.02 -1.26 -5.10 117.44 110.83 2yuq n TRP 15 Ca -0.08 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.24 2yuq n TRP 15 Cb 0.30 -0.23 -0.06 0.00 -2.42 0.00 0.00 31.31 28.89 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 -2.03 0.90 0.25 -0.99 2.02 -1.26 -5.05 118.70 112.53 2yuq s GLU 16 Ca -0.13 0.48 0.02 0.00 0.02 0.00 0.00 54.97 55.35 2yuq s GLU 16 Cb 0.02 0.43 0.30 0.00 0.10 0.00 0.00 34.13 34.97 2yuq s GLU 16 CO 0.20 -0.23 1.62 -1.00 0.02 0.00 0.00 175.26 175.87 2yuq h PRO 17 N 3.59 0.41 -1.55 0.39 0.13 -1.99 -3.20 132.00 129.78 2yuq h PRO 17 Ca -0.27 -0.21 -0.69 0.00 -0.87 0.00 0.00 66.00 63.96 2yuq h PRO 17 Cb 1.15 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 31.96 2yuq h PRO 17 CO 0.26 0.77 0.45 -0.85 -0.23 0.00 0.00 178.00 178.41 2yuq n GLU 18 N -4.00 2.97 -3.93 0.86 0.28 -1.26 -4.97 120.64 110.59 2yuq n GLU 18 Ca -0.02 -3.75 -0.10 0.00 -0.16 0.00 0.00 57.16 53.14 2yuq n GLU 18 Cb 0.52 -2.27 -0.10 0.00 1.43 0.00 0.00 31.44 31.02 2yuq n GLU 18 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2yuq s GLU 19 N -3.86 0.49 -0.38 3.44 0.41 -1.21 -5.13 118.70 112.45 2yuq s GLU 19 Ca 0.54 -0.64 -0.12 0.00 -0.41 0.00 0.00 54.97 54.34 2yuq s GLU 19 Cb 0.44 0.19 0.02 0.00 -1.78 0.00 0.00 34.13 33.01 2yuq s GLU 19 CO -0.24 -0.11 0.23 0.99 -0.49 0.00 0.00 175.26 175.64 2yuq s THR 20 N -2.03 4.75 -0.17 3.63 2.01 -1.26 -4.87 115.64 117.71 2yuq s THR 20 Ca -0.10 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 2yuq s THR 20 Cb -0.05 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2yuq s THR 20 CO -0.02 -0.24 0.03 -0.69 -0.69 0.00 0.00 174.62 173.01 2yuq s VAL 21 N 1.59 4.52 0.33 3.82 1.01 -1.26 -2.87 120.40 127.54 2yuq s VAL 21 Ca 0.03 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 61.97 2yuq s VAL 21 Cb -0.19 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 2yuq s VAL 21 CO 0.08 0.48 -0.07 0.68 0.00 0.00 0.00 175.10 176.26 2yuq s VAL 22 N 0.32 2.43 0.01 2.92 -7.23 -0.70 -2.14 120.40 116.01 2yuq s VAL 22 Ca 0.01 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.06 2yuq s VAL 22 Cb -0.13 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 2yuq s VAL 22 CO 0.01 -0.23 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.87 2yuq s ILE 23 N -2.56 0.59 -0.11 -0.62 1.01 -0.15 -0.73 121.20 118.63 2yuq s ILE 23 Ca 0.33 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 2yuq s ILE 23 Cb 0.01 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 2yuq s ILE 23 CO 0.17 0.05 0.61 0.00 0.00 0.00 0.00 174.94 175.78 2yuq s ALA 24 N -0.42 3.43 0.17 9.38 0.00 -1.09 0.16 121.76 133.39 2yuq s ALA 24 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 2yuq s ALA 24 Cb -0.04 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.27 2yuq s ALA 24 CO -0.00 -0.17 1.44 -0.07 0.00 0.00 0.00 175.76 176.96 2yuq h LEU 25 N 7.06 0.59 -8.75 0.00 3.38 -1.26 0.45 115.31 116.78 2yuq h LEU 25 Ca -0.39 -0.36 -0.54 0.00 0.09 0.00 0.00 57.88 56.68 2yuq h LEU 25 Cb 1.18 -0.17 -0.20 0.00 0.09 0.00 0.00 40.66 41.56 2yuq h LEU 25 CO 0.76 1.10 -0.81 -0.31 0.09 0.00 0.00 178.44 179.27 2yuq s TYR 26 N -3.76 1.81 -0.85 1.13 1.51 -1.26 -4.44 117.35 111.49 2yuq s TYR 26 Ca -0.07 -0.44 -0.25 0.00 -1.01 0.00 0.00 57.07 55.30 2yuq s TYR 26 Cb 0.10 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 41.03 2yuq s TYR 26 CO 0.85 0.27 1.50 0.34 -1.11 0.00 0.00 175.55 177.39 2yuq s ASP 27 N -2.28 6.06 0.16 2.29 -1.08 -1.26 -4.19 116.67 116.37 2yuq s ASP 27 Ca 0.11 -0.77 -0.30 0.00 -0.52 0.00 0.00 52.55 51.08 2yuq s ASP 27 Cb -0.08 -2.56 -0.07 0.00 -1.46 0.00 0.00 42.92 38.75 2yuq s ASP 27 CO 0.05 -1.89 1.04 -0.47 0.52 0.00 0.00 175.17 174.42 2yuq s TYR 28 N 6.38 3.70 -0.15 -5.34 5.04 0.43 -4.87 117.35 122.54 2yuq s TYR 28 Ca 0.47 1.69 -0.00 0.00 -2.44 0.00 0.00 57.07 56.79 2yuq s TYR 28 Cb -0.05 -3.18 -0.01 0.00 0.35 0.00 0.00 41.96 39.07 2yuq s TYR 28 CO 0.04 -0.24 -0.13 -0.65 -1.34 0.00 0.00 175.55 173.23 2yuq s GLN 29 N -0.28 3.31 -0.30 4.97 -0.21 -1.26 -1.89 119.66 124.00 2yuq s GLN 29 Ca 0.48 -0.71 -0.11 0.00 0.02 0.00 0.00 55.36 55.04 2yuq s GLN 29 Cb -0.27 -2.66 0.18 0.00 1.00 0.00 0.00 33.01 31.25 2yuq s GLN 29 CO 0.33 0.09 0.98 -0.08 -2.12 0.00 0.00 175.29 174.48 2yuq s THR 30 N 0.66 -0.45 -0.49 -0.19 -1.32 -1.26 -4.94 115.64 107.65 2yuq s THR 30 Ca -0.07 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.42 2yuq s THR 30 Cb -0.15 -1.00 0.50 0.00 -1.51 0.00 0.00 72.50 70.34 2yuq s THR 30 CO 0.02 0.00 1.92 -0.46 -2.21 0.00 0.00 174.62 173.89 2yuq n ASN 31 N 5.42 5.45 -4.88 8.08 0.23 -1.26 -3.10 115.26 125.19 2yuq n ASN 31 Ca -0.06 -3.53 -0.34 0.00 -0.53 0.00 0.00 54.58 50.12 2yuq n ASN 31 Cb 0.53 -0.89 -0.05 0.00 -2.08 0.00 0.00 39.78 37.29 2yuq n ASN 31 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 2yuq s ASP 32 N -1.21 6.53 0.04 0.53 -4.77 -1.26 -4.98 116.67 111.55 2yuq s ASP 32 Ca 0.54 0.62 0.16 0.00 -3.30 0.00 0.00 52.55 50.57 2yuq s ASP 32 Cb 0.44 -2.11 0.67 0.00 -1.09 0.00 0.00 42.92 40.83 2yuq s ASP 32 CO 0.05 0.18 1.50 -0.81 0.70 0.00 0.00 175.17 176.78 2yuq n PRO 33 N 0.77 0.03 -0.05 2.11 -0.04 -1.26 -2.96 135.00 133.59 2yuq n PRO 33 Ca -0.08 0.28 -0.22 0.00 -0.04 0.00 0.00 63.50 63.45 2yuq n PRO 33 Cb 0.52 -1.56 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 2yuq n PRO 33 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2yuq n GLN 34 N -1.62 0.69 -4.09 0.54 1.13 -1.26 -4.93 117.38 107.83 2yuq n GLN 34 Ca 0.03 0.31 -0.23 0.00 -1.94 0.00 0.00 57.00 55.17 2yuq n GLN 34 Cb 0.18 -1.66 -0.06 0.00 0.11 0.00 0.00 30.24 28.80 2yuq n GLN 34 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2yuq s GLU 35 N -2.51 2.40 0.09 -1.09 2.02 -1.16 -0.82 118.70 117.63 2yuq s GLU 35 Ca -0.27 -1.51 0.09 0.00 0.02 0.00 0.00 54.97 53.30 2yuq s GLU 35 Cb 0.08 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 2yuq s GLU 35 CO 0.68 0.13 -0.23 -1.17 0.02 0.00 0.00 175.26 174.69 2yuq s LEU 36 N -3.84 2.43 -0.62 1.80 2.96 -0.97 -4.12 118.68 116.31 2yuq s LEU 36 Ca 0.37 -0.59 -0.25 0.00 -0.22 0.00 0.00 54.13 53.44 2yuq s LEU 36 Cb -0.03 -1.38 0.05 0.00 0.50 0.00 0.00 46.19 45.33 2yuq s LEU 36 CO 0.23 0.22 1.05 0.00 -1.32 0.00 0.00 176.35 176.52 2yuq s ALA 37 N -0.98 3.05 0.49 5.97 0.00 -1.18 -4.68 121.76 124.42 2yuq s ALA 37 Ca 0.14 -1.36 -0.20 0.00 0.00 0.00 0.00 51.96 50.54 2yuq s ALA 37 Cb -0.10 -3.91 -0.08 0.00 0.00 0.00 0.00 23.12 19.02 2yuq s ALA 37 CO 0.06 -2.70 1.04 -0.51 0.00 0.00 0.00 175.76 173.64 2yuq s LEU 38 N 4.47 3.83 0.04 0.00 1.43 -0.79 -4.88 118.68 122.78 2yuq s LEU 38 Ca 0.31 1.92 0.02 0.00 -1.03 0.00 0.00 54.13 55.35 2yuq s LEU 38 Cb -0.12 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 2yuq s LEU 38 CO 0.17 -0.79 0.03 -0.60 0.23 0.00 0.00 176.35 175.39 2yuq s ARG 39 N -3.27 2.79 0.39 1.70 3.00 -1.26 -0.43 118.95 121.86 2yuq s ARG 39 Ca 0.67 -0.67 -0.27 0.00 -1.00 0.00 0.00 55.73 54.45 2yuq s ARG 39 Cb -0.16 -2.68 -0.10 0.00 0.00 0.00 0.00 34.95 32.01 2yuq s ARG 39 CO 0.20 0.59 1.42 0.50 0.00 0.00 0.00 175.30 178.02 2yuq s ARG 40 N -1.99 4.04 -1.44 5.12 3.52 -1.26 -2.85 118.95 124.09 2yuq s ARG 40 Ca 0.24 2.43 -0.01 0.00 -0.13 0.00 0.00 55.73 58.26 2yuq s ARG 40 Cb -0.12 -2.89 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 2yuq s ARG 40 CO 0.16 -0.54 0.02 0.09 -0.81 0.00 0.00 175.30 174.23 2yuq n ASN 41 N 0.33 0.71 -4.30 -2.12 3.02 0.15 -4.92 115.26 108.13 2yuq n ASN 41 Ca 0.02 -1.20 -0.27 0.00 -0.03 0.00 0.00 54.58 53.10 2yuq n ASN 41 Cb 0.41 -1.49 -0.14 0.00 -0.61 0.00 0.00 39.78 37.95 2yuq n ASN 41 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2yuq s GLU 42 N -7.12 1.44 0.41 3.52 2.56 -1.13 -4.95 118.70 113.44 2yuq s GLU 42 Ca 0.02 -1.08 -0.17 0.00 0.00 0.00 0.00 54.97 53.74 2yuq s GLU 42 Cb -0.01 -1.65 -0.09 0.00 2.00 0.00 0.00 34.13 34.38 2yuq s GLU 42 CO 0.94 0.41 0.88 -1.21 -0.56 0.00 0.00 175.26 175.72 2yuq s GLU 43 N -1.44 4.07 -0.18 4.30 2.02 -1.26 -2.69 118.70 123.52 2yuq s GLU 43 Ca 0.09 0.90 -0.09 0.00 0.02 0.00 0.00 54.97 55.89 2yuq s GLU 43 Cb -0.09 -2.26 0.06 0.00 0.10 0.00 0.00 34.13 31.94 2yuq s GLU 43 CO 0.03 -0.02 0.43 0.71 0.02 0.00 0.00 175.26 176.42 2yuq s TYR 44 N -2.23 -0.64 -0.29 1.61 2.02 0.09 -4.62 117.35 113.29 2yuq s TYR 44 Ca 0.58 1.35 -0.26 0.00 -0.37 0.00 0.00 57.07 58.37 2yuq s TYR 44 Cb -0.10 0.29 0.01 0.00 -0.40 0.00 0.00 41.96 41.76 2yuq s TYR 44 CO 0.19 -0.36 0.93 0.00 -1.57 0.00 0.00 175.55 174.74 2yuq s LEU 46 N 3.20 4.38 -0.16 0.00 2.96 -1.14 -0.18 118.68 127.74 2yuq s LEU 46 Ca 0.39 2.34 -0.14 0.00 -0.22 0.00 0.00 54.13 56.50 2yuq s LEU 46 Cb -0.14 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 2yuq s LEU 46 CO 0.11 -0.64 -0.28 0.18 -1.32 0.00 0.00 176.35 174.41 2yuq n LEU 47 N 3.78 1.78 -3.69 -0.68 4.77 0.83 -4.88 117.00 118.91 2yuq n LEU 47 Ca 0.11 0.41 -0.11 0.00 -0.03 0.00 0.00 56.01 56.39 2yuq n LEU 47 Cb 0.42 -0.77 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 2yuq n LEU 47 CO 0.59 -0.35 -0.02 -0.62 -1.33 0.00 0.00 177.39 175.66 2yuq s ASP 48 N -5.73 -0.28 -0.51 -1.43 -1.08 -0.83 -5.04 116.67 101.76 2yuq s ASP 48 Ca -0.23 0.78 0.02 0.00 -0.52 0.00 0.00 52.55 52.60 2yuq s ASP 48 Cb 0.03 0.77 0.49 0.00 -1.46 0.00 0.00 42.92 42.76 2yuq s ASP 48 CO 0.34 -0.20 1.77 -1.20 0.52 0.00 0.00 175.17 176.40 2yuq n SER 49 N 4.61 5.91 -0.32 -0.34 7.64 -1.26 -1.02 113.62 128.84 2yuq n SER 49 Ca -0.19 -3.76 0.24 0.00 1.01 0.00 0.00 58.87 56.18 2yuq n SER 49 Cb 0.53 -0.78 0.47 0.00 -1.01 0.00 0.00 64.21 63.41 2yuq n SER 49 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2yuq h SER 50 N 1.77 0.25 -5.58 6.43 0.02 -1.96 -3.40 113.55 111.07 2yuq h SER 50 Ca 0.52 0.23 -0.35 0.00 -0.84 0.00 0.00 61.79 61.35 2yuq h SER 50 Cb 1.37 0.25 0.03 0.00 0.14 0.00 0.00 62.40 64.19 2yuq h SER 50 CO 1.21 -0.28 -0.01 -0.62 -1.14 0.00 0.00 176.83 175.99 2yuq n GLU 51 N -5.20 0.52 -0.06 3.45 -0.58 -1.26 -5.08 120.64 112.42 2yuq n GLU 51 Ca 0.32 -2.18 -0.13 0.00 -0.42 0.00 0.00 57.16 54.74 2yuq n GLU 51 Cb 1.03 -0.27 -0.04 0.00 -0.57 0.00 0.00 31.44 31.58 2yuq n GLU 51 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2yuq n ILE 52 N -2.09 0.94 -0.03 -3.67 5.41 -1.26 -4.71 119.36 113.95 2yuq n ILE 52 Ca 0.12 -0.10 -0.14 0.00 1.00 0.00 0.00 62.75 63.63 2yuq n ILE 52 Cb 0.43 -1.77 -0.03 0.00 -0.71 0.00 0.00 39.64 37.57 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 -0.53 0.98 -3.59 1.39 3.86 -1.97 -3.42 115.15 111.87 2yuq h HIS 53 Ca -0.29 -0.39 -0.67 0.00 -1.16 0.00 0.00 60.37 57.86 2yuq h HIS 53 Cb 1.15 -0.17 -0.27 0.00 1.06 0.00 0.00 27.41 29.18 2yuq h HIS 53 CO -0.09 1.20 -0.64 -1.58 0.86 0.00 0.00 177.93 177.68 2yuq s TRP 54 N -3.92 3.13 -0.14 2.45 0.52 -1.26 -1.92 118.94 117.80 2yuq s TRP 54 Ca -0.09 -1.01 -0.02 0.00 0.02 0.00 0.00 56.10 54.99 2yuq s TRP 54 Cb 0.10 -2.23 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 2yuq s TRP 54 CO 0.88 -0.58 -0.07 -1.58 0.02 0.00 0.00 176.95 175.62 2yuq s TRP 55 N 1.49 2.94 -0.32 -1.98 0.52 -0.57 -3.99 118.94 117.03 2yuq s TRP 55 Ca 0.03 -0.38 -0.27 0.00 0.02 0.00 0.00 56.10 55.50 2yuq s TRP 55 Cb -0.17 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 2yuq s TRP 55 CO 0.02 -0.06 0.98 0.50 0.02 0.00 0.00 176.95 178.41 2yuq s ARG 56 N 0.23 4.02 0.37 4.98 3.52 -0.19 -2.92 118.95 128.96 2yuq s ARG 56 Ca -0.05 0.89 0.04 0.00 -0.13 0.00 0.00 55.73 56.48 2yuq s ARG 56 Cb -0.14 -3.74 -0.05 0.00 -1.56 0.00 0.00 34.95 29.46 2yuq s ARG 56 CO 0.04 -0.83 0.07 0.14 -0.81 0.00 0.00 175.30 173.91 2yuq s VAL 57 N 3.42 1.08 -0.01 7.11 -7.23 -1.20 -0.12 120.40 123.45 2yuq s VAL 57 Ca 0.41 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2yuq s VAL 57 Cb -0.13 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.17 2yuq s VAL 57 CO 0.14 0.00 -0.03 -1.58 -0.31 0.00 0.00 175.10 173.33 2yuq s GLN 58 N -3.83 0.25 0.69 4.82 0.74 0.75 -3.04 119.66 120.04 2yuq s GLN 58 Ca 0.31 -0.09 -0.11 0.00 0.05 0.00 0.00 55.36 55.52 2yuq s GLN 58 Cb 0.07 -0.26 0.00 0.00 1.10 0.00 0.00 33.01 33.92 2yuq s GLN 58 CO 0.14 0.04 1.07 0.34 -0.55 0.00 0.00 175.29 176.34 2yuq s ASP 59 N 0.05 5.54 0.55 6.67 2.15 0.13 -1.48 116.67 130.28 2yuq s ASP 59 Ca -0.00 1.34 0.22 0.00 0.43 0.00 0.00 52.55 54.54 2yuq s ASP 59 Cb -0.03 -2.23 1.46 0.00 -0.30 0.00 0.00 42.92 41.83 2yuq s ASP 59 CO -0.00 -1.30 2.16 -0.09 -0.17 0.00 0.00 175.17 175.77 2yuq h ARG 60 N -0.62 0.00 0.00 4.34 9.65 -1.90 -2.71 114.38 123.14 2yuq h ARG 60 Ca -0.45 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.43 2yuq h ARG 60 Cb 1.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2yuq h ARG 60 CO 0.61 0.00 -0.00 -0.91 2.80 0.00 0.00 179.97 182.47 2yuq h ASN 61 N 0.00 -0.00 0.00 -3.80 2.35 -1.98 -3.48 115.58 108.66 2yuq h ASN 61 Ca 0.03 -0.96 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 2yuq h ASN 61 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2yuq h ASN 61 CO -0.00 0.97 0.00 0.61 -1.65 0.00 0.00 177.43 177.36 2yuq n GLY 62 N 1.57 0.00 3.35 2.83 0.00 -1.02 -5.14 105.19 106.78 2yuq n GLY 62 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 3.03 0.55 1.61 3.76 -1.26 -4.85 115.29 118.13 2yuq s HIS 63 Ca 0.00 -0.81 0.05 0.00 -0.15 0.00 0.00 55.06 54.15 2yuq s HIS 63 Cb 0.00 -2.16 0.04 0.00 1.11 0.00 0.00 32.58 31.57 2yuq s HIS 63 CO 0.00 -0.50 0.37 -1.21 -0.85 0.00 0.00 174.74 172.55 2yuq s GLU 64 N 1.52 2.24 0.00 1.40 2.02 -1.26 0.18 118.70 124.80 2yuq s GLU 64 Ca 0.05 -2.09 0.00 0.00 0.02 0.00 0.00 54.97 52.96 2yuq s GLU 64 Cb -0.15 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.05 2yuq s GLU 64 CO -0.00 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.05 2yuq n GLY 65 N -1.75 3.04 3.76 -1.39 0.00 -1.17 -4.43 105.19 103.26 2yuq n GLY 65 Ca -0.04 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.00 3.78 0.04 1.61 2.02 -0.00 -3.22 117.35 119.57 2yuq s TYR 66 Ca 0.00 1.46 -0.07 0.00 -0.37 0.00 0.00 57.07 58.09 2yuq s TYR 66 Cb 0.00 -2.75 -0.01 0.00 -0.40 0.00 0.00 41.96 38.81 2yuq s TYR 66 CO 0.00 0.38 0.13 0.14 -1.57 0.00 0.00 175.55 174.62 2yuq s VAL 67 N -0.45 0.13 -0.35 0.71 -7.23 -1.15 -2.30 120.40 109.76 2yuq s VAL 67 Ca 0.36 -1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 59.18 2yuq s VAL 67 Cb -0.21 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 2yuq s VAL 67 CO 0.23 -0.58 1.70 -2.16 -0.31 0.00 0.00 175.10 173.97 2yuq s PRO 68 N -2.71 3.39 0.41 4.82 0.04 -1.26 -1.51 135.00 138.18 2yuq s PRO 68 Ca -0.04 1.30 0.25 0.00 0.04 0.00 0.00 61.00 62.55 2yuq s PRO 68 Cb -0.00 -4.16 1.33 0.00 0.04 0.00 0.00 34.50 31.71 2yuq s PRO 68 CO -0.05 -1.79 1.63 0.66 0.04 0.00 0.00 177.00 177.49 2yuq h SER 69 N 12.34 0.32 -0.97 6.66 4.64 -1.62 0.24 113.55 135.15 2yuq h SER 69 Ca -0.32 0.16 0.30 0.00 -0.47 0.00 0.00 61.79 61.46 2yuq h SER 69 Cb 1.15 0.14 -0.17 0.00 -0.31 0.00 0.00 62.40 63.21 2yuq h SER 69 CO 1.05 -0.20 0.22 0.77 -0.87 0.00 0.00 176.83 177.80 2yuq h SER 70 N 0.13 -0.13 -0.21 4.97 4.64 -1.89 0.44 113.55 121.50 2yuq h SER 70 Ca 0.80 0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 62.30 2yuq h SER 70 Cb 2.30 0.37 -0.00 0.00 -0.31 0.00 0.00 62.40 64.76 2yuq h SER 70 CO -0.50 -0.32 -0.14 1.88 -0.87 0.00 0.00 176.83 176.88 2yuq h TYR 71 N 0.07 0.56 -4.06 4.77 -1.99 -0.89 -3.45 116.97 111.97 2yuq h TYR 71 Ca 0.65 -0.15 -0.51 0.00 2.00 0.00 0.00 58.73 60.73 2yuq h TYR 71 Cb 1.47 -0.12 0.08 0.00 2.00 0.00 0.00 36.73 40.15 2yuq h TYR 71 CO -0.30 0.78 0.46 -0.51 -0.00 0.00 0.00 178.16 178.59 2yuq s LEU 72 N -9.15 3.81 -0.08 3.88 1.43 0.16 -0.78 118.68 117.94 2yuq s LEU 72 Ca -0.14 2.26 -0.05 0.00 -1.03 0.00 0.00 54.13 55.18 2yuq s LEU 72 Cb 0.07 -4.48 0.03 0.00 0.03 0.00 0.00 46.19 41.84 2yuq s LEU 72 CO 0.77 -1.20 0.19 0.68 0.23 0.00 0.00 176.35 177.02 2yuq s VAL 73 N -1.67 -0.03 -0.27 -1.59 -7.23 0.12 -4.85 120.40 104.90 2yuq s VAL 73 Ca 0.71 0.11 -0.28 0.00 -1.81 0.00 0.00 61.98 60.71 2yuq s VAL 73 Cb -0.27 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 2yuq s VAL 73 CO 0.31 0.04 2.01 -0.70 -0.31 0.00 0.00 175.10 176.45 2yuq s GLU 74 N 0.84 3.25 -0.07 4.82 2.12 -1.26 -0.97 118.70 127.44 2yuq s GLU 74 Ca -0.06 1.75 -0.35 0.00 0.36 0.00 0.00 54.97 56.68 2yuq s GLU 74 Cb -0.08 -4.28 -0.12 0.00 0.26 0.00 0.00 34.13 29.91 2yuq s GLU 74 CO -0.05 -1.96 1.82 1.17 -0.54 0.00 0.00 175.26 175.71 2yuq n LYS 75 N 8.57 2.08 -1.30 4.30 4.81 -0.91 -4.92 118.16 130.79 2yuq n LYS 75 Ca 0.26 0.76 -0.34 0.00 -0.87 0.00 0.00 58.31 58.12 2yuq n LYS 75 Cb 0.46 -2.58 0.11 0.00 0.02 0.00 0.00 35.03 33.03 2yuq n LYS 75 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2yuq s SER 76 N 3.54 3.92 0.00 3.14 0.01 -1.26 -4.88 113.70 118.17 2yuq s SER 76 Ca 0.91 2.39 0.14 0.00 1.31 0.00 0.00 55.95 60.71 2yuq s SER 76 Cb -0.72 -2.59 0.69 0.00 0.21 0.00 0.00 66.02 63.60 2yuq s SER 76 CO 0.51 -2.45 1.42 -0.81 0.41 0.00 0.00 173.24 172.32 2yuq n PRO 77 N -2.94 0.13 -1.28 12.44 -0.04 -1.26 -4.85 135.00 137.20 2yuq n PRO 77 Ca 0.14 0.19 -0.37 0.00 -0.04 0.00 0.00 63.50 63.42 2yuq n PRO 77 Cb 0.50 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.51 2yuq n PRO 77 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2yuq n ASN 78 N -1.37 -1.85 -4.20 3.54 5.15 -1.26 -4.99 115.26 110.27 2yuq n ASN 78 Ca 0.06 0.60 -0.31 0.00 -0.60 0.00 0.00 54.58 54.33 2yuq n ASN 78 Cb 0.14 -1.12 -0.17 0.00 -0.53 0.00 0.00 39.78 38.09 2yuq n ASN 78 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2yuq s ASN 79 N -1.32 2.89 0.25 1.20 3.84 -1.26 -5.13 114.94 115.42 2yuq s ASN 79 Ca 0.63 -0.51 0.02 0.00 0.21 0.00 0.00 52.86 53.21 2yuq s ASN 79 Cb -0.38 -1.18 -0.05 0.00 -0.55 0.00 0.00 41.25 39.10 2yuq s ASN 79 CO 0.60 0.16 0.06 -1.48 -2.79 0.00 0.00 177.10 173.66 2yuq s LEU 80 N 0.25 1.86 -0.84 3.21 0.05 -1.26 -5.08 118.68 116.86 2yuq s LEU 80 Ca -0.14 -1.33 -0.25 0.00 0.05 0.00 0.00 54.13 52.46 2yuq s LEU 80 Cb -0.16 -0.09 0.01 0.00 -2.05 0.00 0.00 46.19 43.90 2yuq s LEU 80 CO 0.07 -0.66 1.57 -1.61 -0.55 0.00 0.00 176.35 175.17 2yuq s GLU 81 N -3.97 3.09 -0.03 1.48 0.41 -1.26 -4.98 118.70 113.44 2yuq s GLU 81 Ca 0.34 -0.38 -0.03 0.00 -0.41 0.00 0.00 54.97 54.50 2yuq s GLU 81 Cb 0.07 -4.76 -0.04 0.00 -1.78 0.00 0.00 34.13 27.62 2yuq s GLU 81 CO 0.12 -2.51 0.13 -0.08 -0.49 0.00 0.00 175.26 172.43 2yuq s THR 82 N 6.93 5.17 0.68 3.63 -1.32 -1.26 -5.09 115.64 124.38 2yuq s THR 82 Ca 0.51 -0.17 -0.15 0.00 -1.21 0.00 0.00 61.69 60.67 2yuq s THR 82 Cb -0.06 -3.35 0.01 0.00 -1.51 0.00 0.00 72.50 67.59 2yuq s THR 82 CO 0.05 0.41 1.13 -0.31 -2.21 0.00 0.00 174.62 173.69 2yuq s TYR 83 N -1.20 2.46 -0.64 9.09 2.02 -1.26 -4.95 117.35 122.87 2yuq s TYR 83 Ca 0.23 1.57 -0.00 0.00 -0.37 0.00 0.00 57.07 58.49 2yuq s TYR 83 Cb -0.12 -3.24 0.43 0.00 -0.40 0.00 0.00 41.96 38.63 2yuq s TYR 83 CO 0.13 -1.93 1.86 -0.85 -1.57 0.00 0.00 175.55 173.20 2yuq n GLU 84 N -2.56 2.88 0.00 -0.62 0.28 -1.26 -5.19 120.64 114.17 2yuq n GLU 84 Ca 0.11 -3.53 0.06 0.00 -0.16 0.00 0.00 57.16 53.65 2yuq n GLU 84 Cb 0.52 -2.28 0.05 0.00 1.43 0.00 0.00 31.44 31.16 2yuq n GLU 84 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84