#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq n ARG 2 N 0.00 3.07 -4.15 -1.46 1.74 -1.26 -4.91 116.66 109.68 2wwq n ARG 2 Ca 0.00 -3.68 -0.29 0.00 -0.77 0.00 0.00 57.85 53.11 2wwq n ARG 2 Cb 0.00 -2.29 -0.08 0.00 -1.02 0.00 0.00 32.46 29.07 2wwq n ARG 2 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2wwq s VAL 3 N -5.01 3.90 0.07 1.55 -7.23 -1.26 -4.35 120.40 108.07 2wwq s VAL 3 Ca 0.50 -1.12 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 2wwq s VAL 3 Cb 0.41 -2.88 -0.26 0.00 0.56 0.00 0.00 36.38 34.21 2wwq s VAL 3 CO -0.38 0.06 1.16 0.00 -0.31 0.00 0.00 175.10 175.63 2wwq n GLN 5 N -3.76 -0.47 -0.07 0.00 6.02 -1.26 -3.88 117.38 113.95 2wwq n GLN 5 Ca -0.11 0.12 -0.07 0.00 -0.01 0.00 0.00 57.00 56.93 2wwq n GLN 5 Cb 0.95 -3.48 -0.12 0.00 1.02 0.00 0.00 30.24 28.61 2wwq n GLN 5 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2wwq n VAL 6 N -2.60 0.98 -0.33 5.09 0.31 -1.26 -4.72 118.33 115.80 2wwq n VAL 6 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 2wwq n VAL 6 Cb 0.12 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 2wwq n VAL 6 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2wwq n THR 7 N -2.53 0.00 -1.95 2.52 -2.24 -1.26 -5.04 114.28 103.78 2wwq n THR 7 Ca -0.23 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.52 2wwq n THR 7 Cb 0.96 0.17 0.01 0.00 -2.10 0.00 0.00 70.33 69.38 2wwq n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wwq n GLY 8 N 0.00 0.49 3.66 3.38 0.00 -1.26 -4.92 105.19 106.54 2wwq n GLY 8 Ca 0.00 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 2wwq n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq s LYS 9 N -3.64 4.20 0.37 1.61 1.02 -1.26 -4.46 119.74 117.58 2wwq s LYS 9 Ca 0.04 1.44 -0.09 0.00 0.02 0.00 0.00 55.97 57.38 2wwq s LYS 9 Cb -0.00 -3.72 -0.06 0.00 -0.52 0.00 0.00 37.83 33.53 2wwq s LYS 9 CO 0.10 -0.73 0.70 1.03 -0.92 0.00 0.00 175.35 175.54 2wwq s ARG 10 N 3.45 3.73 -0.09 1.68 0.52 -1.26 -3.82 118.95 123.15 2wwq s ARG 10 Ca 0.49 0.32 -0.32 0.00 -0.52 0.00 0.00 55.73 55.70 2wwq s ARG 10 Cb -0.17 -2.47 -0.10 0.00 0.52 0.00 0.00 34.95 32.72 2wwq s ARG 10 CO 0.12 0.04 1.98 -0.35 0.02 0.00 0.00 175.30 177.11 2wwq n PRO 11 N -1.20 2.25 -1.86 3.54 -0.04 -1.26 -4.90 135.00 131.54 2wwq n PRO 11 Ca 0.01 0.79 -0.29 0.00 -0.04 0.00 0.00 63.50 63.97 2wwq n PRO 11 Cb 0.54 -2.81 0.13 0.00 -0.04 0.00 0.00 33.50 31.32 2wwq n PRO 11 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2wwq s VAL 12 N 5.02 1.99 0.33 0.52 -7.23 -0.78 -4.83 120.40 115.42 2wwq s VAL 12 Ca 0.94 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 61.15 2wwq s VAL 12 Cb -0.59 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 2wwq s VAL 12 CO 0.47 0.00 0.15 0.42 -0.31 0.00 0.00 175.10 175.83 2wwq s THR 13 N -3.66 0.45 0.00 5.32 -4.23 -1.26 -0.44 115.64 111.82 2wwq s THR 13 Ca 0.67 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 2wwq s THR 13 Cb -0.08 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.26 2wwq s THR 13 CO 0.51 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 2wwq n GLY 14 N -0.67 -0.08 3.93 3.99 0.00 -1.26 -4.88 105.19 106.22 2wwq n GLY 14 Ca -0.01 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 2wwq n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wwq s ASN 15 N 0.00 6.36 0.02 1.61 0.02 -1.26 -2.72 114.94 118.97 2wwq s ASN 15 Ca 0.00 0.25 -0.27 0.00 -1.02 0.00 0.00 52.86 51.82 2wwq s ASN 15 Cb 0.00 -1.95 -0.15 0.00 0.02 0.00 0.00 41.25 39.17 2wwq s ASN 15 CO 0.00 0.14 1.16 -1.13 0.02 0.00 0.00 177.10 177.29 2wwq h ASN 16 N 2.84 -0.82 -4.81 -1.22 -0.73 -1.50 -3.44 115.58 105.89 2wwq h ASN 16 Ca -0.46 0.03 0.00 0.00 1.87 0.00 0.00 56.30 57.74 2wwq h ASN 16 Cb 1.17 0.21 -0.04 0.00 0.27 0.00 0.00 38.32 39.93 2wwq h ASN 16 CO 0.74 -0.48 -1.18 0.54 -0.37 0.00 0.00 177.43 176.68 2wwq n ARG 17 N -5.23 -5.05 -3.55 6.67 5.12 -1.04 -4.94 116.66 108.65 2wwq n ARG 17 Ca -0.12 3.70 -0.23 0.00 -1.93 0.00 0.00 57.85 59.27 2wwq n ARG 17 Cb 0.38 -4.86 0.00 0.00 -1.16 0.00 0.00 32.46 26.83 2wwq n ARG 17 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2wwq s SER 18 N -0.62 4.90 0.00 0.55 0.01 -1.25 -4.74 113.70 112.55 2wwq s SER 18 Ca -0.09 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2wwq s SER 18 Cb 0.01 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.29 2wwq s SER 18 CO 0.24 -1.02 0.29 1.41 0.41 0.00 0.00 173.24 174.58 2wwq n HIS 19 N -1.82 0.00 -2.00 2.43 8.25 -1.26 -1.44 115.22 119.38 2wwq n HIS 19 Ca 0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2wwq n HIS 19 Cb 0.63 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.72 2wwq n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wwq n ALA 20 N -0.17 2.02 -2.48 -1.41 0.00 -1.26 -5.06 120.51 112.15 2wwq n ALA 20 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 53.44 52.94 2wwq n ALA 20 Cb 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 19.45 19.27 2wwq n ALA 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wwq n LEU 21 N 0.00 -2.25 -4.21 0.00 4.77 -0.52 -4.98 117.00 109.81 2wwq n LEU 21 Ca -0.00 -0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.49 2wwq n LEU 21 Cb 0.60 -0.89 -0.09 0.00 -2.33 0.00 0.00 43.42 40.70 2wwq n LEU 21 CO -0.00 0.08 -0.08 0.20 -1.33 0.00 0.00 177.39 176.26 2wwq s ASN 22 N -3.11 5.59 0.48 -1.43 -0.87 -1.26 -4.63 114.94 109.71 2wwq s ASN 22 Ca 0.05 -1.81 -0.24 0.00 -1.57 0.00 0.00 52.86 49.29 2wwq s ASN 22 Cb -0.02 -1.97 -0.07 0.00 -0.02 0.00 0.00 41.25 39.17 2wwq s ASN 22 CO 0.11 -0.62 1.35 0.00 -2.57 0.00 0.00 177.10 175.38 2wwq s ALA 23 N 1.34 3.04 -0.30 0.60 0.00 -1.26 -2.49 121.76 122.70 2wwq s ALA 23 Ca 0.05 1.32 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 2wwq s ALA 23 Cb -0.25 -3.54 0.18 0.00 0.00 0.00 0.00 23.12 19.51 2wwq s ALA 23 CO -0.01 -1.16 1.12 -0.08 0.00 0.00 0.00 175.76 175.64 2wwq s THR 24 N -1.29 -0.12 0.41 0.00 -1.32 -1.26 -4.77 115.64 107.29 2wwq s THR 24 Ca 0.65 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.90 2wwq s THR 24 Cb -0.40 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.47 2wwq s THR 24 CO 0.49 0.00 0.70 0.29 -2.21 0.00 0.00 174.62 173.89 2wwq n LYS 25 N 3.97 0.80 0.00 7.08 4.76 -1.26 -1.54 118.16 131.97 2wwq n LYS 25 Ca -0.14 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2wwq n LYS 25 Cb 0.56 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 2wwq n LYS 25 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wwq n ARG 26 N 0.44 0.15 -0.65 1.97 -4.01 -1.10 -4.88 116.66 108.58 2wwq n ARG 26 Ca 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.92 2wwq n ARG 26 Cb 0.39 -0.01 0.00 0.00 -3.04 0.00 0.00 32.46 29.80 2wwq n ARG 26 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2wwq n ARG 27 N 0.00 -1.11 -3.74 2.89 1.74 -1.26 -4.96 116.66 110.22 2wwq n ARG 27 Ca 0.00 1.04 -0.38 0.00 -0.77 0.00 0.00 57.85 57.74 2wwq n ARG 27 Cb 0.00 -0.86 -0.12 0.00 -1.02 0.00 0.00 32.46 30.46 2wwq n ARG 27 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wwq s PHE 28 N -0.53 3.28 -0.14 -1.55 0.40 0.42 -4.97 117.98 114.89 2wwq s PHE 28 Ca 0.00 -1.49 -0.06 0.00 -0.60 0.00 0.00 56.93 54.78 2wwq s PHE 28 Cb 0.00 -2.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 2wwq s PHE 28 CO 0.00 -0.76 0.08 -0.51 0.70 0.00 0.00 175.22 174.73 2wwq s LEU 29 N 1.39 3.98 1.38 -0.37 1.43 -1.26 -1.86 118.68 123.38 2wwq s LEU 29 Ca -0.01 0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 53.11 2wwq s LEU 29 Cb -0.20 -1.98 0.35 0.00 0.03 0.00 0.00 46.19 44.40 2wwq s LEU 29 CO 0.02 0.30 0.95 -2.84 0.23 0.00 0.00 176.35 175.01 2wwq s PRO 30 N -0.37 -2.64 -0.07 1.29 0.02 -1.26 -5.00 135.00 126.97 2wwq s PRO 30 Ca 0.10 0.20 -0.01 0.00 0.02 0.00 0.00 61.00 61.31 2wwq s PRO 30 Cb -0.12 -1.41 -0.01 0.00 0.02 0.00 0.00 34.50 32.99 2wwq s PRO 30 CO 0.02 -4.70 0.05 -0.91 -0.33 0.00 0.00 177.00 171.12 2wwq h ASN 31 N -3.30 -0.03 -3.97 2.53 4.21 -1.95 -3.50 115.58 109.57 2wwq h ASN 31 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 2wwq h ASN 31 Cb 1.34 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.54 2wwq h ASN 31 CO 0.31 0.33 -0.58 0.18 -1.29 0.00 0.00 177.43 176.38 2wwq n LEU 32 N -4.05 -4.56 -3.69 1.61 4.77 -1.25 -4.99 117.00 104.85 2wwq n LEU 32 Ca -0.00 1.99 -0.14 0.00 -0.03 0.00 0.00 56.01 57.83 2wwq n LEU 32 Cb 0.01 -2.03 -0.09 0.00 -2.33 0.00 0.00 43.42 38.99 2wwq n LEU 32 CO 0.01 -0.83 0.22 -1.00 -1.33 0.00 0.00 177.39 174.46 2wwq s HIS 33 N -0.76 -0.56 -0.52 -1.77 3.76 -0.37 -4.92 115.29 110.14 2wwq s HIS 33 Ca 0.00 1.33 -0.29 0.00 -0.15 0.00 0.00 55.06 55.96 2wwq s HIS 33 Cb 0.00 0.21 0.03 0.00 1.11 0.00 0.00 32.58 33.92 2wwq s HIS 33 CO 0.00 -0.31 1.23 -1.12 -0.85 0.00 0.00 174.74 173.69 2wwq s SER 34 N 0.08 6.46 -0.10 1.40 0.01 -1.26 -1.61 113.70 118.68 2wwq s SER 34 Ca -0.02 0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.61 2wwq s SER 34 Cb -0.04 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 2wwq s SER 34 CO 0.02 -1.43 -0.21 -2.28 0.41 0.00 0.00 173.24 169.75 2wwq s HIS 35 N 4.98 2.62 -1.02 2.43 5.04 -0.86 -4.92 115.29 123.57 2wwq s HIS 35 Ca 0.48 -0.84 -0.21 0.00 -1.54 0.00 0.00 55.06 52.95 2wwq s HIS 35 Cb -0.08 -1.73 0.08 0.00 0.04 0.00 0.00 32.58 30.89 2wwq s HIS 35 CO 0.28 -0.30 1.36 1.03 -2.34 0.00 0.00 174.74 174.77 2wwq s ARG 36 N 0.21 3.64 0.38 2.88 0.52 -1.26 -2.57 118.95 122.75 2wwq s ARG 36 Ca -0.13 -1.47 -0.06 0.00 -0.52 0.00 0.00 55.73 53.56 2wwq s ARG 36 Cb -0.16 -5.21 -0.05 0.00 0.52 0.00 0.00 34.95 30.05 2wwq s ARG 36 CO 0.07 -2.04 0.68 -0.06 0.02 0.00 0.00 175.30 173.96 2wwq s PHE 37 N 3.98 3.50 -0.44 -0.53 0.08 -1.25 -4.82 117.98 118.50 2wwq s PHE 37 Ca 0.42 0.76 -0.06 0.00 0.12 0.00 0.00 56.93 58.17 2wwq s PHE 37 Cb -0.01 -2.22 0.12 0.00 -0.57 0.00 0.00 43.02 40.33 2wwq s PHE 37 CO -0.08 -0.04 0.28 -0.46 -0.10 0.00 0.00 175.22 174.82 2wwq s TRP 38 N -2.38 3.51 0.08 0.36 -0.11 -1.26 -2.95 118.94 116.18 2wwq s TRP 38 Ca 0.46 -2.15 -0.18 0.00 1.22 0.00 0.00 56.10 55.46 2wwq s TRP 38 Cb -0.10 -3.37 -0.06 0.00 -1.50 0.00 0.00 33.47 28.44 2wwq s TRP 38 CO 0.35 -0.98 1.30 0.28 -4.62 0.00 0.00 176.95 173.28 2wwq h VAL 39 N 6.23 0.00 0.00 5.86 2.07 -1.90 -3.46 116.25 125.04 2wwq h VAL 39 Ca -0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2wwq h VAL 39 Cb 1.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2wwq h VAL 39 CO 0.78 0.00 0.00 1.21 0.02 0.00 0.00 177.57 179.58 2wwq n GLU 40 N -4.20 0.00 -0.05 1.57 2.13 -1.26 -4.74 120.64 114.09 2wwq n GLU 40 Ca -0.01 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.82 2wwq n GLU 40 Cb 0.18 -2.18 0.02 0.00 0.27 0.00 0.00 31.44 29.72 2wwq n GLU 40 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2wwq n SER 41 N 0.00 1.23 0.00 4.31 7.64 -1.26 -4.47 113.62 121.07 2wwq n SER 41 Ca 0.00 -1.79 0.00 0.00 1.01 0.00 0.00 58.87 58.09 2wwq n SER 41 Cb 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2wwq n SER 41 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wwq n GLU 42 N -0.40 1.98 -3.08 1.43 1.02 -1.26 -5.07 120.64 115.26 2wwq n GLU 42 Ca 0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 2wwq n GLU 42 Cb 0.41 -0.20 0.07 0.00 -0.02 0.00 0.00 31.44 31.70 2wwq n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wwq n LYS 43 N -0.08 -3.15 -4.21 3.49 5.02 -1.26 -5.02 118.16 112.95 2wwq n LYS 43 Ca 0.00 0.74 -0.18 0.00 -2.02 0.00 0.00 58.31 56.85 2wwq n LYS 43 Cb 0.00 -5.29 -0.06 0.00 -0.02 0.00 0.00 35.03 29.66 2wwq n LYS 43 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2wwq n ARG 44 N -3.22 0.54 -4.28 1.97 1.85 -1.26 -4.89 116.66 107.37 2wwq n ARG 44 Ca -0.12 -3.22 -0.35 0.00 -1.00 0.00 0.00 57.85 53.16 2wwq n ARG 44 Cb 0.62 2.81 -0.10 0.00 -1.05 0.00 0.00 32.46 34.73 2wwq n ARG 44 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2wwq s PHE 45 N -3.18 3.17 -0.57 2.89 2.99 -1.26 -2.79 117.98 119.23 2wwq s PHE 45 Ca 0.37 0.07 0.06 0.00 0.00 0.00 0.00 56.93 57.43 2wwq s PHE 45 Cb 0.01 -1.89 0.23 0.00 0.00 0.00 0.00 43.02 41.36 2wwq s PHE 45 CO 0.26 0.30 0.60 0.28 -0.00 0.00 0.00 175.22 176.66 2wwq n VAL 46 N 2.75 1.12 -1.54 -0.44 0.31 -1.15 -4.95 118.33 114.43 2wwq n VAL 46 Ca -0.18 -4.68 -0.46 0.00 -0.01 0.00 0.00 64.34 59.01 2wwq n VAL 46 Cb 0.53 -2.04 -0.05 0.00 -0.91 0.00 0.00 33.84 31.38 2wwq n VAL 46 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2wwq n THR 47 N 1.40 0.30 -4.81 2.52 -1.04 -1.26 -3.84 114.28 107.54 2wwq n THR 47 Ca 0.26 -0.36 -0.29 0.00 -2.04 0.00 0.00 64.05 61.62 2wwq n THR 47 Cb 0.43 -2.15 -0.14 0.00 -1.82 0.00 0.00 70.33 66.65 2wwq n THR 47 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wwq s LEU 48 N 7.63 2.18 -0.39 -4.42 1.43 -1.06 -4.93 118.68 119.12 2wwq s LEU 48 Ca 1.04 -0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 2wwq s LEU 48 Cb -0.57 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.42 2wwq s LEU 48 CO 0.42 0.24 0.52 -0.60 0.23 0.00 0.00 176.35 177.15 2wwq s ARG 49 N -1.33 3.42 0.05 1.70 3.52 -1.26 -2.03 118.95 123.03 2wwq s ARG 49 Ca 0.11 -0.36 -0.06 0.00 -0.13 0.00 0.00 55.73 55.30 2wwq s ARG 49 Cb -0.10 -3.88 -0.01 0.00 -1.56 0.00 0.00 34.95 29.40 2wwq s ARG 49 CO 0.02 -0.77 0.11 0.14 -0.81 0.00 0.00 175.30 173.99 2wwq s VAL 50 N 2.42 0.15 0.79 7.11 -7.23 -0.63 -4.34 120.40 118.66 2wwq s VAL 50 Ca 0.18 -1.19 -0.03 0.00 -1.81 0.00 0.00 61.98 59.12 2wwq s VAL 50 Cb -0.16 -1.09 0.16 0.00 0.56 0.00 0.00 36.38 35.86 2wwq s VAL 50 CO 0.15 -0.66 1.09 -0.44 -0.31 0.00 0.00 175.10 174.92 2wwq s SER 51 N -2.40 3.93 0.00 4.85 0.01 -1.26 -1.24 113.70 117.59 2wwq s SER 51 Ca -0.01 -0.38 0.09 0.00 1.31 0.00 0.00 55.95 56.96 2wwq s SER 51 Cb 0.02 0.17 0.22 0.00 0.21 0.00 0.00 66.02 66.64 2wwq s SER 51 CO -0.07 -2.16 1.12 0.00 0.41 0.00 0.00 173.24 172.54 2wwq n ALA 52 N -3.07 2.22 0.08 1.44 0.00 -1.26 -1.15 120.51 118.76 2wwq n ALA 52 Ca 0.17 -1.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.37 2wwq n ALA 52 Cb 0.61 -0.35 -0.15 0.00 0.00 0.00 0.00 19.45 19.55 2wwq n ALA 52 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wwq h LYS 53 N 1.72 0.40 -0.91 0.00 3.64 -2.01 -3.42 116.57 115.99 2wwq h LYS 53 Ca 0.00 -0.69 0.08 0.00 -1.27 0.00 0.00 60.65 58.77 2wwq h LYS 53 Cb 0.63 0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 32.64 2wwq h LYS 53 CO 0.00 1.33 0.59 0.78 -2.27 0.00 0.00 179.45 179.88 2wwq h GLY 54 N 0.58 1.32 1.38 5.01 0.00 -1.78 -2.62 103.07 106.96 2wwq h GLY 54 Ca -0.34 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.45 2wwq h GLY 54 CO 0.18 0.27 -0.39 1.98 0.00 0.00 0.00 176.54 178.58 2wwq h MET 55 N 0.99 0.68 0.00 4.80 1.85 -1.39 -2.37 114.93 119.49 2wwq h MET 55 Ca 0.40 -0.34 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 2wwq h MET 55 Cb 0.27 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.30 2wwq h MET 55 CO -0.16 0.95 -0.03 0.00 -0.40 0.00 0.00 176.91 177.28 2wwq h ARG 56 N 0.56 0.00 0.01 0.39 3.08 -1.72 -2.65 114.38 114.05 2wwq h ARG 56 Ca 0.05 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2wwq h ARG 56 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2wwq h ARG 56 CO 0.08 0.03 -0.10 0.28 -1.07 0.00 0.00 179.97 179.18 2wwq h VAL 57 N 0.00 1.65 -0.82 2.04 2.07 -1.47 -2.51 116.25 117.21 2wwq h VAL 57 Ca -0.00 -2.05 0.12 0.00 0.82 0.00 0.00 66.70 65.59 2wwq h VAL 57 Cb 0.05 3.02 -0.09 0.00 -1.52 0.00 0.00 31.29 32.76 2wwq h VAL 57 CO 0.00 0.54 0.43 0.40 0.02 0.00 0.00 177.57 178.97 2wwq h ILE 58 N -0.76 0.79 -0.05 4.57 2.04 -1.34 -0.75 117.51 122.02 2wwq h ILE 58 Ca -0.02 -0.23 -0.19 0.00 1.00 0.00 0.00 64.86 65.42 2wwq h ILE 58 Cb 0.95 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2wwq h ILE 58 CO 0.02 0.12 -0.79 0.44 0.00 0.00 0.00 178.15 177.94 2wwq h ASP 59 N 0.66 0.46 1.28 1.72 3.45 -1.52 -1.16 116.42 121.32 2wwq h ASP 59 Ca 0.43 -0.33 -0.10 0.00 0.43 0.00 0.00 57.03 57.46 2wwq h ASP 59 Cb 0.53 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 2wwq h ASP 59 CO -0.32 1.08 -0.75 0.50 -1.57 0.00 0.00 179.24 178.19 2wwq h LYS 60 N 0.24 0.00 0.00 3.56 1.63 -0.80 -3.35 116.57 117.85 2wwq h LYS 60 Ca -0.04 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.53 2wwq h LYS 60 Cb 1.39 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.98 2wwq h LYS 60 CO 0.13 0.32 -1.86 1.17 -3.45 0.00 0.00 179.45 175.77 2wwq n LYS 61 N -3.05 1.06 0.00 1.90 4.81 -0.39 -5.07 118.16 117.41 2wwq n LYS 61 Ca -0.01 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2wwq n LYS 61 Cb 0.72 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.46 2wwq n LYS 61 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wwq n GLY 62 N 2.56 3.38 0.40 3.14 0.00 -0.44 -4.91 105.19 109.32 2wwq n GLY 62 Ca -0.24 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 2wwq n GLY 62 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wwq h ILE 63 N 0.00 0.00 0.00 -0.61 2.04 -1.90 -2.95 117.51 114.09 2wwq h ILE 63 Ca 0.00 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.57 2wwq h ILE 63 Cb 0.00 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 2wwq h ILE 63 CO 0.00 0.00 1.38 0.47 0.00 0.00 0.00 178.15 180.00 2wwq n ASP 64 N -5.02 4.71 0.00 1.72 9.92 -1.26 -2.09 116.55 124.52 2wwq n ASP 64 Ca -0.04 -2.27 0.00 0.00 -0.53 0.00 0.00 54.79 51.95 2wwq n ASP 64 Cb 0.31 -1.08 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 2wwq n ASP 64 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2wwq n THR 65 N 3.34 0.00 0.12 -3.53 -1.04 -1.12 -4.58 114.28 107.47 2wwq n THR 65 Ca 0.41 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 62.19 2wwq n THR 65 Cb 0.39 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.76 2wwq n THR 65 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2wwq h VAL 66 N 0.00 1.30 0.00 12.58 2.07 -1.54 -3.08 116.25 127.59 2wwq h VAL 66 Ca 0.00 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.90 2wwq h VAL 66 Cb 0.00 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2wwq h VAL 66 CO 0.00 0.79 0.00 -0.07 0.02 0.00 0.00 177.57 178.31 2wwq h LEU 67 N 0.20 0.00 -0.06 2.57 3.38 -1.71 -1.33 115.31 118.36 2wwq h LEU 67 Ca -0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2wwq h LEU 67 Cb 2.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.78 2wwq h LEU 67 CO 0.25 0.00 0.03 0.00 0.09 0.00 0.00 178.44 178.81 2wwq h ALA 68 N 2.11 0.08 -3.19 1.53 0.00 -1.79 -3.42 119.26 114.57 2wwq h ALA 68 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2wwq h ALA 68 Cb 0.33 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.14 2wwq h ALA 68 CO 0.00 -0.39 0.09 0.39 0.00 0.00 0.00 179.25 179.34 2wwq n GLU 69 N -5.01 -0.80 0.00 0.00 1.02 -0.50 -3.52 120.64 111.82 2wwq n GLU 69 Ca -0.06 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.55 2wwq n GLU 69 Cb 0.07 -0.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 2wwq n GLU 69 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wwq n LEU 70 N 0.00 0.00 0.01 -4.62 7.94 -1.25 -4.02 117.00 115.05 2wwq n LEU 70 Ca 0.04 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.77 2wwq n LEU 70 Cb 0.16 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.98 2wwq n LEU 70 CO 0.11 0.00 0.23 0.08 -1.11 0.00 0.00 177.39 176.71 2wwq h ARG 71 N 0.00 0.28 0.00 1.96 0.11 -1.77 -1.20 114.38 113.77 2wwq h ARG 71 Ca 0.00 -0.36 0.00 0.00 0.10 0.00 0.00 59.98 59.72 2wwq h ARG 71 Cb 0.00 0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.20 2wwq h ARG 71 CO 0.00 1.10 0.00 0.00 0.10 0.00 0.00 179.97 181.17 2wwq h ALA 72 N 0.20 1.00 -0.02 0.08 0.00 -1.69 -3.16 119.26 115.67 2wwq h ALA 72 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wwq h ALA 72 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2wwq h ALA 72 CO 0.10 0.00 -0.05 0.54 0.00 0.00 0.00 179.25 179.84 2wwq n ARG 73 N -2.68 1.13 0.00 0.00 1.74 -1.01 -5.01 116.66 110.83 2wwq n ARG 73 Ca -0.00 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 2wwq n ARG 73 Cb 0.18 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 2wwq n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wwq n GLY 74 N 0.84 0.62 3.41 -0.13 0.00 -0.52 -4.95 105.19 104.47 2wwq n GLY 74 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2wwq n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wwq s GLU 75 N -0.75 1.48 0.18 1.61 2.02 -0.79 -5.03 118.70 117.42 2wwq s GLU 75 Ca 0.00 -1.44 -0.33 0.00 0.02 0.00 0.00 54.97 53.22 2wwq s GLU 75 Cb 0.00 -1.88 -0.14 0.00 0.10 0.00 0.00 34.13 32.21 2wwq s GLU 75 CO 0.00 0.42 1.46 1.17 0.02 0.00 0.00 175.26 178.34 2wwq n LYS 76 N 0.56 1.94 0.00 1.61 4.81 -1.26 -3.80 118.16 122.02 2wwq n LYS 76 Ca -0.15 0.70 0.06 0.00 -0.87 0.00 0.00 58.31 58.05 2wwq n LYS 76 Cb 0.55 -2.40 0.34 0.00 0.02 0.00 0.00 35.03 33.54 2wwq n LYS 76 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55