#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq n GLY 7 N 0.00 1.55 0.00 -0.02 0.00 -1.25 -4.92 105.19 100.55 2wwq n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wwq n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wwq n SER 8 N 0.00 0.52 0.00 1.61 7.64 -1.26 -4.64 113.62 117.50 2wwq n SER 8 Ca 0.00 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.77 2wwq n SER 8 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2wwq n SER 8 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2wwq n THR 9 N -0.06 0.00 -3.90 0.44 5.66 -1.26 -4.96 114.28 110.20 2wwq n THR 9 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 2wwq n THR 9 Cb 0.21 0.88 -0.15 0.00 -1.55 0.00 0.00 70.33 69.73 2wwq n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wwq s ARG 10 N 0.00 0.10 0.38 1.09 1.70 -1.26 -5.13 118.95 115.82 2wwq s ARG 10 Ca 0.00 0.02 -0.07 0.00 -0.47 0.00 0.00 55.73 55.21 2wwq s ARG 10 Cb 0.00 -0.18 0.03 0.00 -0.57 0.00 0.00 34.95 34.23 2wwq s ARG 10 CO 0.00 -0.04 0.62 0.09 -1.08 0.00 0.00 175.30 174.90 2wwq n ASN 11 N 3.42 -1.78 0.05 -2.89 4.13 -1.26 -3.81 115.26 113.13 2wwq n ASN 11 Ca -0.17 -2.82 -0.16 0.00 1.68 0.00 0.00 54.58 53.10 2wwq n ASN 11 Cb 0.56 3.14 -0.07 0.00 -1.54 0.00 0.00 39.78 41.87 2wwq n ASN 11 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2wwq h GLY 12 N 2.03 0.60 -6.21 7.41 0.00 -2.01 -3.47 103.07 101.42 2wwq h GLY 12 Ca -0.31 -1.03 -0.45 0.00 0.00 0.00 0.00 47.33 45.54 2wwq h GLY 12 CO 0.40 0.91 -0.79 0.54 0.00 0.00 0.00 176.54 177.60 2wwq n ARG 13 N -3.79 -5.22 0.00 4.80 1.74 -1.26 -4.84 116.66 108.09 2wwq n ARG 13 Ca -0.08 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 2wwq n ARG 13 Cb 0.85 -5.32 0.00 0.00 -1.02 0.00 0.00 32.46 26.97 2wwq n ARG 13 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wwq n ASP 14 N -2.94 0.00 0.00 0.55 4.64 -1.26 -4.97 116.55 112.56 2wwq n ASP 14 Ca -0.12 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.29 2wwq n ASP 14 Cb 0.60 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.68 2wwq n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 2wwq n SER 15 N 0.00 0.00 -4.31 1.67 7.64 -1.26 -5.12 113.62 112.25 2wwq n SER 15 Ca 0.00 -1.00 -0.58 0.00 1.01 0.00 0.00 58.87 58.30 2wwq n SER 15 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2wwq n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wwq n GLU 16 N -0.00 0.00 -0.72 1.43 -0.58 -1.26 -4.66 120.64 114.85 2wwq n GLU 16 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wwq n GLU 16 Cb 0.43 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 2wwq n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wwq n ALA 17 N 1.95 -2.90 -3.00 0.62 0.00 -1.26 -4.97 120.51 110.95 2wwq n ALA 17 Ca 0.21 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2wwq n ALA 17 Cb 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2wwq n ALA 17 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wwq n LYS 18 N 0.20 0.00 -2.59 0.00 4.76 -1.06 -4.43 118.16 115.04 2wwq n LYS 18 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 2wwq n LYS 18 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 2wwq n LYS 18 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2wwq s ARG 19 N 0.50 4.62 0.14 1.97 1.04 -1.26 -1.82 118.95 124.14 2wwq s ARG 19 Ca 0.00 1.62 -0.16 0.00 -1.04 0.00 0.00 55.73 56.15 2wwq s ARG 19 Cb 0.00 -3.32 0.03 0.00 -2.04 0.00 0.00 34.95 29.62 2wwq s ARG 19 CO 0.00 0.11 0.42 -1.17 -0.04 0.00 0.00 175.30 174.61 2wwq s LEU 20 N -0.16 0.37 -0.87 -1.89 2.96 -1.26 -4.84 118.68 112.99 2wwq s LEU 20 Ca 0.49 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 2wwq s LEU 20 Cb -0.27 1.86 0.00 0.00 0.50 0.00 0.00 46.19 48.28 2wwq s LEU 20 CO 0.33 -0.89 0.00 0.61 -1.32 0.00 0.00 176.35 175.08 2wwq n GLY 21 N -0.25 0.32 3.76 7.98 0.00 -1.26 -3.72 105.19 112.02 2wwq n GLY 21 Ca -0.15 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2wwq n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wwq s VAL 22 N -2.43 2.78 0.00 1.61 -7.23 -1.26 -2.89 120.40 110.98 2wwq s VAL 22 Ca 0.00 0.71 0.00 0.00 -1.81 0.00 0.00 61.98 60.88 2wwq s VAL 22 Cb 0.00 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.49 2wwq s VAL 22 CO 0.00 0.14 0.00 1.17 -0.31 0.00 0.00 175.10 176.10 2wwq n LYS 23 N 1.66 0.00 -3.65 4.82 0.00 -1.26 -4.74 118.16 114.99 2wwq n LYS 23 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.32 2wwq n LYS 23 Cb 0.41 -0.04 -0.05 0.00 0.00 0.00 0.00 35.03 35.36 2wwq n LYS 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2wwq s ARG 24 N 0.00 0.55 0.00 1.64 6.06 -1.18 -1.86 118.95 124.17 2wwq s ARG 24 Ca 0.00 1.40 0.00 0.00 -2.50 0.00 0.00 55.73 54.63 2wwq s ARG 24 Cb 0.00 0.79 0.00 0.00 0.06 0.00 0.00 34.95 35.80 2wwq s ARG 24 CO 0.00 -0.20 0.00 0.34 -2.50 0.00 0.00 175.30 172.94 2wwq n PHE 25 N 5.41 0.00 -1.86 5.12 -0.00 -1.14 -4.80 117.46 120.18 2wwq n PHE 25 Ca -0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.04 2wwq n PHE 25 Cb 0.49 0.00 0.13 0.00 -0.00 0.00 0.00 39.48 40.10 2wwq n PHE 25 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2wwq s GLY 26 N 0.00 1.65 0.00 7.13 0.00 -1.26 -4.95 107.32 109.89 2wwq s GLY 26 Ca 0.00 -0.82 0.16 0.00 0.00 0.00 0.00 44.72 44.06 2wwq s GLY 26 CO 0.00 -0.23 1.38 0.61 0.00 0.00 0.00 173.10 174.87 2wwq n GLY 27 N -3.31 1.05 3.89 0.20 0.00 -1.26 -4.89 105.19 100.87 2wwq n GLY 27 Ca 0.10 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 2wwq n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wwq s GLU 28 N -1.46 2.31 0.03 1.61 8.01 -1.26 -4.71 118.70 123.22 2wwq s GLU 28 Ca 0.32 -1.88 -0.04 0.00 0.01 0.00 0.00 54.97 53.38 2wwq s GLU 28 Cb 0.17 -2.19 -0.29 0.00 -4.31 0.00 0.00 34.13 27.51 2wwq s GLU 28 CO 0.23 -0.51 0.95 1.03 0.01 0.00 0.00 175.26 176.97 2wwq h SER 29 N 0.82 0.44 -3.39 -0.19 0.87 -1.90 -3.33 113.55 106.86 2wwq h SER 29 Ca -0.38 -0.55 -0.45 0.00 -1.23 0.00 0.00 61.79 59.19 2wwq h SER 29 Cb 1.29 -0.14 -0.35 0.00 -0.44 0.00 0.00 62.40 62.76 2wwq h SER 29 CO 0.57 1.44 -0.78 -0.69 -0.53 0.00 0.00 176.83 176.84 2wwq s VAL 30 N -2.63 0.70 0.00 2.23 1.01 -1.26 -0.69 120.40 119.77 2wwq s VAL 30 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2wwq s VAL 30 Cb 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2wwq s VAL 30 CO 0.87 0.27 0.00 0.18 0.00 0.00 0.00 175.10 176.42 2wwq n LEU 31 N 4.24 0.00 -0.21 3.92 7.99 -1.23 -5.03 117.00 126.67 2wwq n LEU 31 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.79 2wwq n LEU 31 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 2wwq n LEU 31 CO 0.21 0.00 0.11 0.00 -1.51 0.00 0.00 177.39 176.20 2wwq n ALA 32 N -3.00 1.29 -0.34 -1.18 0.00 -1.26 -4.97 120.51 111.04 2wwq n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wwq n ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wwq n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwq n GLY 33 N 0.00 0.46 2.68 0.00 0.00 -0.99 -3.32 105.19 104.02 2wwq n GLY 33 Ca 0.00 0.52 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 2wwq n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wwq s SER 34 N -4.00 1.87 -0.11 1.61 0.01 -1.08 -4.25 113.70 107.75 2wwq s SER 34 Ca 0.00 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 2wwq s SER 34 Cb 0.00 0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.35 2wwq s SER 34 CO 0.00 -0.34 2.33 -0.38 0.41 0.00 0.00 173.24 175.26 2wwq n ILE 35 N 5.30 2.45 -2.06 1.44 -0.00 -0.76 -3.86 119.36 121.87 2wwq n ILE 35 Ca -0.06 -1.13 -0.40 0.00 -0.00 0.00 0.00 62.75 61.17 2wwq n ILE 35 Cb 0.49 -1.55 -0.01 0.00 -0.00 0.00 0.00 39.64 38.57 2wwq n ILE 35 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2wwq s ILE 36 N -0.56 2.63 -0.03 1.39 1.01 -1.21 -2.57 121.20 121.86 2wwq s ILE 36 Ca 0.23 0.58 -0.19 0.00 0.00 0.00 0.00 60.65 61.27 2wwq s ILE 36 Cb 0.14 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 39.29 2wwq s ILE 36 CO -0.02 0.11 0.42 0.68 0.00 0.00 0.00 174.94 176.13 2wwq s VAL 37 N -1.22 0.04 -0.32 2.92 -7.23 -1.26 -3.92 120.40 109.41 2wwq s VAL 37 Ca 0.54 -0.31 -0.02 0.00 -1.81 0.00 0.00 61.98 60.38 2wwq s VAL 37 Cb -0.39 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 35.83 2wwq s VAL 37 CO 0.51 -0.17 0.23 0.54 -0.31 0.00 0.00 175.10 175.89 2wwq n ARG 38 N 1.26 -1.60 -3.80 4.82 1.74 -1.25 -4.98 116.66 112.85 2wwq n ARG 38 Ca -0.20 0.19 -0.09 0.00 -0.77 0.00 0.00 57.85 56.98 2wwq n ARG 38 Cb 0.56 -3.36 0.03 0.00 -1.02 0.00 0.00 32.46 28.67 2wwq n ARG 38 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2wwq s GLN 39 N -5.15 2.26 0.00 5.56 1.03 -1.26 -5.06 119.66 117.04 2wwq s GLN 39 Ca 0.11 -1.47 0.00 0.00 0.04 0.00 0.00 55.36 54.04 2wwq s GLN 39 Cb -0.05 0.62 0.00 0.00 0.03 0.00 0.00 33.01 33.61 2wwq s GLN 39 CO 0.14 -1.06 0.00 -2.13 -2.54 0.00 0.00 175.29 169.70 2wwq n ARG 40 N -0.54 0.00 -0.74 9.60 0.63 -1.26 -4.73 116.66 119.62 2wwq n ARG 40 Ca -0.09 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.82 2wwq n ARG 40 Cb 0.60 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.49 2wwq n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wwq n GLY 41 N 0.00 0.78 0.08 5.14 0.00 -1.26 -4.72 105.19 105.21 2wwq n GLY 41 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 2wwq n GLY 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wwq h THR 42 N 5.31 1.61 -3.96 2.61 2.02 -1.99 -3.44 112.91 115.08 2wwq h THR 42 Ca -0.21 -3.28 -0.42 0.00 0.77 0.00 0.00 66.41 63.28 2wwq h THR 42 Cb 1.24 2.87 -0.14 0.00 -1.74 0.00 0.00 68.15 70.37 2wwq h THR 42 CO -0.09 0.93 -0.56 -0.54 0.37 0.00 0.00 175.52 175.63 2wwq s LYS 43 N -2.69 1.60 -0.11 6.66 -0.14 -1.26 -4.15 119.74 119.64 2wwq s LYS 43 Ca -0.01 -1.91 -0.15 0.00 -1.36 0.00 0.00 55.97 52.54 2wwq s LYS 43 Cb 0.09 -0.09 0.04 0.00 -1.68 0.00 0.00 37.83 36.18 2wwq s LYS 43 CO 0.84 -0.45 0.40 0.12 -0.76 0.00 0.00 175.35 175.49 2wwq s PHE 44 N -3.60 -0.39 0.16 3.18 2.19 -1.26 -4.74 117.98 113.52 2wwq s PHE 44 Ca 0.36 0.88 -0.30 0.00 0.33 0.00 0.00 56.93 58.20 2wwq s PHE 44 Cb 0.05 0.15 -0.07 0.00 -1.31 0.00 0.00 43.02 41.84 2wwq s PHE 44 CO 0.18 -0.28 1.03 -3.38 1.83 0.00 0.00 175.22 174.59 2wwq s HIS 45 N -0.26 3.73 0.03 10.12 -3.43 -1.26 -1.53 115.29 122.68 2wwq s HIS 45 Ca -0.04 1.72 -0.27 0.00 -0.80 0.00 0.00 55.06 55.67 2wwq s HIS 45 Cb -0.03 -3.15 0.09 0.00 -1.43 0.00 0.00 32.58 28.05 2wwq s HIS 45 CO 0.02 -0.16 0.76 0.00 -2.00 0.00 0.00 174.74 173.36 2wwq s ALA 46 N -0.31 -1.75 -0.17 -1.38 0.00 -1.16 -4.88 121.76 112.12 2wwq s ALA 46 Ca 0.47 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 53.38 2wwq s ALA 46 Cb -0.27 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.23 2wwq s ALA 46 CO 0.33 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2wwq n GLY 47 N 0.03 -3.66 3.52 0.00 0.00 -1.26 -3.60 105.19 100.21 2wwq n GLY 47 Ca -0.14 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 2wwq n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwq n ALA 48 N 0.39 -1.76 -3.57 4.61 0.00 -1.26 -1.71 120.51 117.21 2wwq n ALA 48 Ca 0.00 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 2wwq n ALA 48 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 19.45 15.91 2wwq n ALA 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wwq s ASN 49 N -3.99 -0.54 0.00 0.00 3.84 -1.26 -2.41 114.94 110.58 2wwq s ASN 49 Ca 0.21 0.71 0.00 0.00 0.21 0.00 0.00 52.86 53.99 2wwq s ASN 49 Cb -0.10 0.60 0.00 0.00 -0.55 0.00 0.00 41.25 41.21 2wwq s ASN 49 CO 0.74 -0.42 0.00 0.55 -2.79 0.00 0.00 177.10 175.18 2wwq n VAL 50 N 1.21 0.00 -0.17 -5.21 3.14 -1.18 -4.44 118.33 111.67 2wwq n VAL 50 Ca -0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2wwq n VAL 50 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 2wwq n VAL 50 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wwq n GLY 51 N -0.00 0.83 1.46 7.55 0.00 -1.03 -4.82 105.19 109.18 2wwq n GLY 51 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 2wwq n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwq n GLY 53 N -1.20 -2.77 0.32 0.00 0.00 -0.26 -4.70 105.19 96.59 2wwq n GLY 53 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 45.00 2wwq n GLY 53 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wwq h ARG 54 N -2.83 0.76 -0.52 1.61 2.43 -1.95 -0.22 114.38 113.67 2wwq h ARG 54 Ca -0.32 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2wwq h ARG 54 Cb 0.96 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2wwq h ARG 54 CO 0.20 0.54 0.00 -0.40 -1.51 0.00 0.00 179.97 178.81 2wwq n ASP 55 N -4.41 3.51 -0.16 -3.80 3.85 -1.26 -4.95 116.55 109.32 2wwq n ASP 55 Ca 0.05 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 52.16 2wwq n ASP 55 Cb 0.08 -0.34 0.00 0.00 -1.35 0.00 0.00 41.12 39.51 2wwq n ASP 55 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 2wwq n HIS 56 N 1.33 0.00 -2.19 2.11 8.25 -0.09 -3.91 115.22 120.72 2wwq n HIS 56 Ca 0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 2wwq n HIS 56 Cb 0.56 -0.83 -0.03 0.00 1.12 0.00 0.00 29.99 30.82 2wwq n HIS 56 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wwq s THR 57 N -2.33 3.66 -0.90 1.59 2.01 -1.25 -4.40 115.64 114.02 2wwq s THR 57 Ca 0.00 0.62 -0.17 0.00 0.31 0.00 0.00 61.69 62.45 2wwq s THR 57 Cb 0.00 -4.01 -0.24 0.00 0.01 0.00 0.00 72.50 68.25 2wwq s THR 57 CO 0.00 -0.73 2.28 0.18 -0.69 0.00 0.00 174.62 175.66 2wwq n LEU 58 N 10.01 0.11 -0.51 4.42 4.77 -1.25 -1.10 117.00 133.45 2wwq n LEU 58 Ca 0.19 -0.99 0.07 0.00 -0.03 0.00 0.00 56.01 55.24 2wwq n LEU 58 Cb 0.48 -1.08 0.05 0.00 -2.33 0.00 0.00 43.42 40.55 2wwq n LEU 58 CO 0.70 -2.00 0.43 2.22 -1.33 0.00 0.00 177.39 177.41 2wwq n PHE 59 N 11.86 0.00 -4.22 -1.77 -1.74 -1.26 -2.35 117.46 117.98 2wwq n PHE 59 Ca 0.58 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.47 2wwq n PHE 59 Cb 0.28 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.28 2wwq n PHE 59 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2wwq n ALA 60 N 0.64 0.00 -1.49 1.98 0.00 -1.26 -3.56 120.51 116.81 2wwq n ALA 60 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2wwq n ALA 60 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2wwq n ALA 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wwq n LYS 61 N -0.31 0.00 -3.85 0.00 4.81 -1.14 -2.45 118.16 115.21 2wwq n LYS 61 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 2wwq n LYS 61 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 2wwq n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wwq s ALA 62 N 0.00 -1.23 -0.30 3.14 0.00 0.14 -4.56 121.76 118.94 2wwq s ALA 62 Ca 0.00 -0.30 0.22 0.00 0.00 0.00 0.00 51.96 51.88 2wwq s ALA 62 Cb 0.00 0.83 -0.14 0.00 0.00 0.00 0.00 23.12 23.81 2wwq s ALA 62 CO 0.00 -1.04 0.80 -0.25 0.00 0.00 0.00 175.76 175.27 2wwq n ASP 63 N -0.50 0.45 -4.62 0.00 8.00 -1.25 -4.50 116.55 114.13 2wwq n ASP 63 Ca -0.04 -0.03 -0.28 0.00 0.71 0.00 0.00 54.79 55.14 2wwq n ASP 63 Cb 0.59 1.20 0.20 0.00 -0.02 0.00 0.00 41.12 43.09 2wwq n ASP 63 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2wwq s GLY 64 N -4.15 1.56 1.15 0.44 0.00 -1.26 -4.40 107.32 100.66 2wwq s GLY 64 Ca -0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 44.72 44.27 2wwq s GLY 64 CO 0.85 0.35 1.03 -1.59 0.00 0.00 0.00 173.10 173.74 2wwq s LYS 65 N -4.82 -0.81 -0.03 2.90 0.00 -0.76 -4.65 119.74 111.56 2wwq s LYS 65 Ca 0.66 0.81 -0.08 0.00 0.00 0.00 0.00 55.97 57.37 2wwq s LYS 65 Cb -0.20 -1.57 -0.05 0.00 0.00 0.00 0.00 37.83 36.01 2wwq s LYS 65 CO 0.60 -3.65 0.26 0.08 0.00 0.00 0.00 175.35 172.63 2wwq s VAL 66 N -2.51 5.31 0.00 1.79 1.01 -0.78 -0.22 120.40 125.00 2wwq s VAL 66 Ca 0.68 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2wwq s VAL 66 Cb -0.24 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2wwq s VAL 66 CO 0.64 0.47 0.00 1.17 0.00 0.00 0.00 175.10 177.38 2wwq n LYS 67 N 1.46 2.48 0.00 2.72 3.00 -0.04 -4.65 118.16 123.13 2wwq n LYS 67 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 2wwq n LYS 67 Cb 0.53 -0.78 0.00 0.00 0.00 0.00 0.00 35.03 34.78 2wwq n LYS 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2wwq n PHE 68 N -1.04 -0.52 0.00 5.64 3.72 -1.02 -4.80 117.46 119.44 2wwq n PHE 68 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2wwq n PHE 68 Cb 0.11 0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 2wwq n PHE 68 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2wwq n GLU 69 N 0.00 0.00 -1.63 -1.08 0.00 -0.84 -3.77 120.64 113.32 2wwq n GLU 69 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 2wwq n GLU 69 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 2wwq n GLU 69 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2wwq n VAL 70 N 1.95 2.05 -3.96 6.31 3.14 0.31 -4.63 118.33 123.49 2wwq n VAL 70 Ca 0.00 -0.50 -0.09 0.00 -2.96 0.00 0.00 64.34 60.79 2wwq n VAL 70 Cb 0.00 -1.22 -0.08 0.00 -1.06 0.00 0.00 33.84 31.48 2wwq n VAL 70 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2wwq s LYS 71 N -1.73 1.02 0.00 1.45 -0.14 -1.26 -5.03 119.74 114.05 2wwq s LYS 71 Ca 0.58 -1.15 0.00 0.00 -1.36 0.00 0.00 55.97 54.04 2wwq s LYS 71 Cb -0.64 0.34 0.00 0.00 -1.68 0.00 0.00 37.83 35.86 2wwq s LYS 71 CO 0.60 -0.34 0.00 0.41 -0.76 0.00 0.00 175.35 175.26 2wwq n GLY 72 N -0.14 -0.05 3.49 -3.33 0.00 -1.26 -4.41 105.19 99.49 2wwq n GLY 72 Ca -0.09 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2wwq n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wwq n PRO 73 N 0.22 0.47 0.00 1.61 -0.02 -1.26 -4.63 135.00 131.39 2wwq n PRO 73 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2wwq n PRO 73 Cb 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2wwq n PRO 73 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wwq n LYS 74 N 8.53 0.00 0.00 -0.52 4.76 -1.26 -5.01 118.16 124.65 2wwq n LYS 74 Ca 0.53 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 2wwq n LYS 74 Cb 0.21 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.40 2wwq n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wwq n ASN 75 N -3.02 0.00 0.00 4.39 3.02 -1.26 -4.31 115.26 114.08 2wwq n ASN 75 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2wwq n ASN 75 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2wwq n ASN 75 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wwq n ARG 76 N 2.01 0.00 0.00 3.52 5.12 -1.26 -4.26 116.66 121.79 2wwq n ARG 76 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wwq n ARG 76 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2wwq n ARG 76 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2wwq n LYS 77 N 0.00 0.81 -0.65 5.56 3.00 -1.26 -4.90 118.16 120.73 2wwq n LYS 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wwq n LYS 77 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 35.03 34.38 2wwq n LYS 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2wwq n PHE 78 N -1.20 -1.78 -4.93 5.64 3.01 -1.26 -0.53 117.46 116.40 2wwq n PHE 78 Ca 0.00 0.96 -0.32 0.00 1.01 0.00 0.00 57.45 59.10 2wwq n PHE 78 Cb 0.15 -1.89 -0.17 0.00 -0.01 0.00 0.00 39.48 37.55 2wwq n PHE 78 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 2wwq s ILE 79 N -3.65 1.97 0.02 4.37 2.07 -0.58 -1.99 121.20 123.40 2wwq s ILE 79 Ca 0.00 -0.95 0.02 0.00 -1.41 0.00 0.00 60.65 58.31 2wwq s ILE 79 Cb 0.00 -1.73 -0.01 0.00 0.13 0.00 0.00 42.46 40.85 2wwq s ILE 79 CO 0.00 0.54 -0.06 -0.44 -1.91 0.00 0.00 174.94 173.07 2wwq s SER 80 N 0.58 0.61 -0.16 4.50 0.01 -1.25 -2.97 113.70 115.03 2wwq s SER 80 Ca -0.14 -0.30 -0.01 0.00 1.31 0.00 0.00 55.95 56.81 2wwq s SER 80 Cb -0.17 -0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 2wwq s SER 80 CO 0.04 -0.08 -0.12 -0.63 0.41 0.00 0.00 173.24 172.86 2wwq s ILE 81 N -0.73 3.01 -0.40 1.44 -1.09 -0.69 -0.86 121.20 121.87 2wwq s ILE 81 Ca -0.05 -0.65 -0.14 0.00 -2.23 0.00 0.00 60.65 57.58 2wwq s ILE 81 Cb -0.06 -2.29 0.03 0.00 -1.58 0.00 0.00 42.46 38.56 2wwq s ILE 81 CO -0.00 0.50 0.27 -0.70 -1.23 0.00 0.00 174.94 173.78 2wwq s GLU 82 N 0.72 2.91 0.41 2.79 2.12 0.69 -4.36 118.70 123.98 2wwq s GLU 82 Ca -0.05 -1.06 -0.27 0.00 0.36 0.00 0.00 54.97 53.95 2wwq s GLU 82 Cb -0.15 -3.90 -0.10 0.00 0.26 0.00 0.00 34.13 30.23 2wwq s GLU 82 CO 0.02 -0.75 1.44 0.00 -0.54 0.00 0.00 175.26 175.42 2wwq n ALA 83 N 5.11 2.09 0.03 6.30 0.00 -1.26 -1.83 120.51 130.94 2wwq n ALA 83 Ca -0.11 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2wwq n ALA 83 Cb 0.46 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2wwq n ALA 83 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89