#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh9 s SER 2 N 0.00 1.13 -0.44 1.61 1.04 -1.26 -5.02 113.70 110.76 1wh9 s SER 2 Ca 0.00 -1.39 0.05 0.00 0.48 0.00 0.00 55.95 55.09 1wh9 s SER 2 Cb 0.00 0.61 0.17 0.00 0.10 0.00 0.00 66.02 66.91 1wh9 s SER 2 CO 0.00 -0.28 0.48 -0.44 0.98 0.00 0.00 173.24 173.98 1wh9 s SER 3 N 1.63 0.40 0.00 7.02 0.01 -1.26 -5.08 113.70 116.41 1wh9 s SER 3 Ca 0.15 -2.35 0.00 0.00 1.31 0.00 0.00 55.95 55.06 1wh9 s SER 3 Cb -0.15 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1wh9 s SER 3 CO -0.09 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1wh9 n GLY 4 N 3.13 -0.34 0.00 3.44 0.00 -1.26 -5.11 105.19 105.05 1wh9 n GLY 4 Ca 0.23 0.76 0.00 0.00 0.00 0.00 0.00 46.02 47.00 1wh9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh9 n SER 5 N 0.00 0.00 -4.72 1.61 7.64 -1.26 -5.17 113.62 111.73 1wh9 n SER 5 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1wh9 n SER 5 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1wh9 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh9 s SER 6 N 1.00 5.06 0.00 6.43 0.15 -1.26 -4.93 113.70 120.15 1wh9 s SER 6 Ca 0.00 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1wh9 s SER 6 Cb 0.00 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 1wh9 s SER 6 CO 0.00 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1wh9 n GLY 7 N -0.23 3.82 0.23 9.45 0.00 -1.26 -5.01 105.19 112.19 1wh9 n GLY 7 Ca -0.09 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 45.02 1wh9 n GLY 7 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wh9 h PHE 8 N 0.00 -0.36 -0.14 1.61 3.57 -2.01 -1.00 116.94 118.62 1wh9 h PHE 8 Ca 0.00 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1wh9 h PHE 8 Cb 0.00 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1wh9 h PHE 8 CO 0.00 -0.25 0.09 -0.22 -2.23 0.00 0.00 178.31 175.70 1wh9 h LYS 9 N -0.03 0.13 0.78 1.11 3.64 -1.98 -2.03 116.57 118.20 1wh9 h LYS 9 Ca 0.25 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1wh9 h LYS 9 Cb 0.42 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1wh9 h LYS 9 CO -0.56 0.09 -0.37 0.00 -2.27 0.00 0.00 179.45 176.33 1wh9 h ALA 10 N 1.92 -1.05 -0.58 5.00 0.00 -1.53 0.65 119.26 123.66 1wh9 h ALA 10 Ca 0.05 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1wh9 h ALA 10 Cb 0.05 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1wh9 h ALA 10 CO -0.01 -1.01 0.30 0.93 0.00 0.00 0.00 179.25 179.46 1wh9 h GLU 11 N -1.20 0.56 -0.56 0.00 4.39 -1.52 -0.25 114.58 116.00 1wh9 h GLU 11 Ca -0.11 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 1wh9 h GLU 11 Cb 0.82 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1wh9 h GLU 11 CO 0.18 0.37 -0.04 1.25 -1.16 0.00 0.00 179.01 179.60 1wh9 h LEU 12 N 0.57 0.99 0.29 1.33 5.85 -1.37 0.11 115.31 123.08 1wh9 h LEU 12 Ca 0.26 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1wh9 h LEU 12 Cb 0.17 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1wh9 h LEU 12 CO -0.18 1.07 -0.14 -1.13 -0.34 0.00 0.00 178.44 177.72 1wh9 h ASN 13 N 0.91 -0.33 0.18 1.25 -0.73 -0.27 -0.14 115.58 116.45 1wh9 h ASN 13 Ca 0.16 -0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.24 1wh9 h ASN 13 Cb 0.59 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.26 1wh9 h ASN 13 CO 0.04 -0.18 -0.21 -0.33 -0.37 0.00 0.00 177.43 176.38 1wh9 h GLU 14 N -0.45 0.05 0.15 6.67 4.39 -0.88 0.20 114.58 124.71 1wh9 h GLU 14 Ca -0.04 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1wh9 h GLU 14 Cb 0.34 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1wh9 h GLU 14 CO 0.06 0.26 -0.07 0.35 -1.16 0.00 0.00 179.01 178.45 1wh9 h PHE 15 N 0.05 -0.19 -0.12 4.33 3.57 -0.59 -3.25 116.94 120.74 1wh9 h PHE 15 Ca 0.01 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1wh9 h PHE 15 Cb 0.40 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1wh9 h PHE 15 CO 0.00 0.11 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.72 1wh9 h LEU 16 N -0.49 0.28 -0.46 0.59 3.38 -0.57 -2.66 115.31 115.36 1wh9 h LEU 16 Ca -0.02 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.93 1wh9 h LEU 16 Cb 0.39 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 1wh9 h LEU 16 CO 0.03 0.66 -0.09 0.74 0.09 0.00 0.00 178.44 179.87 1wh9 h THR 17 N 0.23 0.55 0.73 0.22 2.02 -0.68 -0.09 112.91 115.88 1wh9 h THR 17 Ca 0.02 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 1wh9 h THR 17 Cb 0.81 0.53 0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1wh9 h THR 17 CO 0.06 0.00 -0.35 -0.09 0.37 0.00 0.00 175.52 175.52 1wh9 h ARG 18 N 0.02 -0.94 0.00 6.66 2.43 -1.57 -2.52 114.38 118.46 1wh9 h ARG 18 Ca 0.23 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1wh9 h ARG 18 Cb 0.34 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1wh9 h ARG 18 CO -0.46 -0.61 0.00 0.39 -1.51 0.00 0.00 179.97 177.78 1wh9 n GLU 19 N -5.48 0.18 -0.34 0.20 -0.58 -0.74 -3.19 120.64 110.68 1wh9 n GLU 19 Ca -0.14 0.43 0.02 0.00 -0.42 0.00 0.00 57.16 57.05 1wh9 n GLU 19 Cb 0.40 -1.85 0.03 0.00 -0.57 0.00 0.00 31.44 29.45 1wh9 n GLU 19 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wh9 n LEU 20 N -2.19 0.64 0.15 -4.62 4.77 -0.12 -4.89 117.00 110.73 1wh9 n LEU 20 Ca 0.02 -1.47 -0.15 0.00 -0.03 0.00 0.00 56.01 54.38 1wh9 n LEU 20 Cb 0.21 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1wh9 n LEU 20 CO 0.19 0.35 0.57 0.00 -1.33 0.00 0.00 177.39 177.17 1wh9 h ALA 21 N 0.00 -0.84 0.00 -1.18 0.00 -1.41 -1.51 119.26 114.32 1wh9 h ALA 21 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1wh9 h ALA 21 Cb 1.24 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1wh9 h ALA 21 CO 0.00 -1.03 -0.24 0.93 0.00 0.00 0.00 179.25 178.90 1wh9 h GLU 22 N -0.72 0.00 0.00 0.00 4.39 -1.88 -1.74 114.58 114.62 1wh9 h GLU 22 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wh9 h GLU 22 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1wh9 h GLU 22 CO -0.22 0.24 0.00 -0.44 -1.16 0.00 0.00 179.01 177.44 1wh9 h ASP 23 N 0.00 0.00 -0.73 1.42 5.19 -1.78 -3.47 116.42 117.05 1wh9 h ASP 23 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1wh9 h ASP 23 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1wh9 h ASP 23 CO 0.03 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.76 1wh9 n GLY 24 N 0.09 0.87 3.34 2.75 0.00 -0.65 -4.38 105.19 107.20 1wh9 n GLY 24 Ca 0.02 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1wh9 n GLY 24 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wh9 n TYR 25 N -1.33 -1.36 0.00 1.61 9.36 -0.62 -0.56 117.16 124.26 1wh9 n TYR 25 Ca 0.00 0.13 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1wh9 n TYR 25 Cb 0.30 -1.63 0.00 0.00 -0.63 0.00 0.00 39.34 37.38 1wh9 n TYR 25 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1wh9 n SER 26 N -2.03 0.00 -0.62 2.98 7.64 -0.58 -4.71 113.62 116.30 1wh9 n SER 26 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1wh9 n SER 26 Cb 0.59 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 1wh9 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 27 N -0.59 0.64 3.25 0.23 0.00 -0.71 -5.04 105.19 102.98 1wh9 n GLY 27 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 1wh9 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh9 s VAL 28 N -2.07 0.11 0.25 1.61 0.11 -1.26 -0.58 120.40 118.57 1wh9 s VAL 28 Ca 0.00 -0.89 0.06 0.00 -2.93 0.00 0.00 61.98 58.22 1wh9 s VAL 28 Cb 0.00 -1.22 -0.05 0.00 -1.53 0.00 0.00 36.38 33.57 1wh9 s VAL 28 CO 0.00 -0.49 -0.05 -1.61 -3.33 0.00 0.00 175.10 169.62 1wh9 s GLU 29 N -3.68 1.43 0.00 1.54 2.02 0.05 -4.87 118.70 115.19 1wh9 s GLU 29 Ca 0.03 -1.71 -0.05 0.00 0.02 0.00 0.00 54.97 53.26 1wh9 s GLU 29 Cb 0.03 -0.95 -0.00 0.00 0.10 0.00 0.00 34.13 33.31 1wh9 s GLU 29 CO -0.11 0.01 0.09 0.54 0.02 0.00 0.00 175.26 175.81 1wh9 s VAL 30 N -3.16 0.08 -0.09 2.63 0.11 -1.26 -1.05 120.40 117.66 1wh9 s VAL 30 Ca 0.28 -0.65 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 1wh9 s VAL 30 Cb 0.04 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1wh9 s VAL 30 CO 0.10 -0.36 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.18 1wh9 s ARG 31 N -1.20 2.61 -0.30 1.54 0.52 -0.81 -5.01 118.95 116.30 1wh9 s ARG 31 Ca -0.13 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.07 1wh9 s ARG 31 Cb -0.07 -2.02 0.01 0.00 0.52 0.00 0.00 34.95 33.39 1wh9 s ARG 31 CO 0.01 0.12 1.12 0.08 0.02 0.00 0.00 175.30 176.65 1wh9 s VAL 32 N 0.48 4.45 0.34 3.52 1.01 -1.26 -2.45 120.40 126.49 1wh9 s VAL 32 Ca -0.17 1.68 0.09 0.00 0.00 0.00 0.00 61.98 63.58 1wh9 s VAL 32 Cb -0.17 -4.33 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 1wh9 s VAL 32 CO 0.07 -0.43 -0.09 0.42 0.00 0.00 0.00 175.10 175.07 1wh9 s THR 33 N 3.72 2.16 -0.71 3.92 -4.23 -1.20 -5.03 115.64 114.26 1wh9 s THR 33 Ca 0.48 -2.19 0.21 0.00 -1.18 0.00 0.00 61.69 59.01 1wh9 s THR 33 Cb -0.14 -2.63 0.21 0.00 1.34 0.00 0.00 72.50 71.28 1wh9 s THR 33 CO 0.16 -0.21 1.66 -0.81 -0.54 0.00 0.00 174.62 174.87 1wh9 n PRO 34 N -0.77 0.13 -0.11 3.99 -0.04 -1.26 -4.06 135.00 132.87 1wh9 n PRO 34 Ca -0.05 0.31 -0.25 0.00 -0.04 0.00 0.00 63.50 63.48 1wh9 n PRO 34 Cb 0.64 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.26 1wh9 n PRO 34 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wh9 n THR 35 N -1.95 1.55 -3.81 0.52 -2.24 -1.26 -5.03 114.28 102.06 1wh9 n THR 35 Ca 0.03 -0.36 -0.06 0.00 -2.27 0.00 0.00 64.05 61.39 1wh9 n THR 35 Cb 0.24 -1.82 -0.02 0.00 -2.10 0.00 0.00 70.33 66.63 1wh9 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wh9 s ARG 36 N -2.48 1.57 0.40 -0.78 1.70 -1.26 -4.91 118.95 113.19 1wh9 s ARG 36 Ca -0.34 -0.86 -0.24 0.00 -0.47 0.00 0.00 55.73 53.82 1wh9 s ARG 36 Cb 0.11 0.54 -0.09 0.00 -0.57 0.00 0.00 34.95 34.94 1wh9 s ARG 36 CO 0.57 -0.72 1.11 0.99 -1.08 0.00 0.00 175.30 176.17 1wh9 s THR 37 N -3.69 3.44 -0.01 4.99 2.01 0.07 -3.26 115.64 119.19 1wh9 s THR 37 Ca 0.11 1.15 0.07 0.00 0.31 0.00 0.00 61.69 63.33 1wh9 s THR 37 Cb -0.04 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1wh9 s THR 37 CO 0.05 0.05 -0.23 -1.61 -0.69 0.00 0.00 174.62 172.19 1wh9 s GLU 38 N -2.41 1.79 -0.09 4.92 2.02 -1.03 -1.57 118.70 122.34 1wh9 s GLU 38 Ca 0.58 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.72 1wh9 s GLU 38 Cb -0.26 -1.76 0.03 0.00 0.10 0.00 0.00 34.13 32.24 1wh9 s GLU 38 CO 0.33 0.48 -0.03 0.42 0.02 0.00 0.00 175.26 176.48 1wh9 s ILE 39 N -0.57 0.61 -0.23 -1.63 1.01 -0.29 -1.93 121.20 118.18 1wh9 s ILE 39 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.72 1wh9 s ILE 39 Cb -0.09 -0.72 0.05 0.00 0.01 0.00 0.00 42.46 41.72 1wh9 s ILE 39 CO -0.00 0.30 -0.08 -0.63 0.00 0.00 0.00 174.94 174.52 1wh9 s ILE 40 N 1.87 1.69 0.15 2.92 1.09 -0.22 -0.46 121.20 128.24 1wh9 s ILE 40 Ca 0.05 -1.22 -0.30 0.00 -1.10 0.00 0.00 60.65 58.08 1wh9 s ILE 40 Cb -0.12 -1.86 -0.08 0.00 -1.06 0.00 0.00 42.46 39.34 1wh9 s ILE 40 CO -0.06 0.01 1.30 -0.63 -0.10 0.00 0.00 174.94 175.46 1wh9 s ILE 41 N 1.34 3.44 -0.49 2.92 1.09 -0.80 -0.77 121.20 127.94 1wh9 s ILE 41 Ca -0.05 1.11 -0.17 0.00 -1.10 0.00 0.00 60.65 60.44 1wh9 s ILE 41 Cb -0.18 -3.71 0.07 0.00 -1.06 0.00 0.00 42.46 37.58 1wh9 s ILE 41 CO -0.07 0.13 0.50 -0.76 -0.10 0.00 0.00 174.94 174.64 1wh9 s LEU 42 N 0.45 5.34 0.21 2.97 1.43 0.25 -1.19 118.68 128.15 1wh9 s LEU 42 Ca 0.59 -1.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1wh9 s LEU 42 Cb -0.35 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 1wh9 s LEU 42 CO 0.34 -0.75 0.04 0.00 0.23 0.00 0.00 176.35 176.20 1wh9 s ALA 43 N 2.07 1.55 0.19 4.21 0.00 -1.01 -1.52 121.76 127.25 1wh9 s ALA 43 Ca 0.09 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.31 1wh9 s ALA 43 Cb -0.22 0.73 0.13 0.00 0.00 0.00 0.00 23.12 23.75 1wh9 s ALA 43 CO 0.09 -0.36 1.51 1.79 0.00 0.00 0.00 175.76 178.79 1wh9 h THR 44 N 2.55 1.33 -2.46 0.00 1.35 -1.08 -2.57 112.91 112.03 1wh9 h THR 44 Ca -0.37 -1.82 -0.60 0.00 -0.55 0.00 0.00 66.41 63.07 1wh9 h THR 44 Cb 1.22 1.80 -0.41 0.00 -1.73 0.00 0.00 68.15 69.03 1wh9 h THR 44 CO 0.62 0.56 -0.75 0.54 -0.25 0.00 0.00 175.52 176.24 1wh9 n ARG 45 N -3.95 1.56 -0.34 4.72 5.12 -1.26 -4.60 116.66 117.91 1wh9 n ARG 45 Ca -0.03 -4.08 0.13 0.00 -1.93 0.00 0.00 57.85 51.94 1wh9 n ARG 45 Cb 0.61 -1.97 0.32 0.00 -1.16 0.00 0.00 32.46 30.26 1wh9 n ARG 45 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1wh9 h THR 46 N 3.59 0.66 -0.57 0.55 1.35 -1.86 0.89 112.91 117.51 1wh9 h THR 46 Ca 0.17 -0.24 0.05 0.00 -0.55 0.00 0.00 66.41 65.85 1wh9 h THR 46 Cb 0.77 -0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 67.07 1wh9 h THR 46 CO 0.65 0.13 0.38 0.06 -0.25 0.00 0.00 175.52 176.48 1wh9 h GLN 47 N 0.69 0.57 0.08 4.72 3.07 -1.94 0.13 115.11 122.42 1wh9 h GLN 47 Ca 0.58 -0.03 -0.27 0.00 0.09 0.00 0.00 58.65 59.01 1wh9 h GLN 47 Cb 0.94 -0.13 0.01 0.00 0.08 0.00 0.00 27.48 28.38 1wh9 h GLN 47 CO -0.41 0.38 -1.13 -0.91 0.09 0.00 0.00 178.83 176.84 1wh9 h ASN 48 N 0.58 0.66 -0.37 0.06 4.21 -1.17 -1.70 115.58 117.85 1wh9 h ASN 48 Ca 0.24 -0.59 -0.09 0.00 1.21 0.00 0.00 56.30 57.06 1wh9 h ASN 48 Cb 0.21 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.19 1wh9 h ASN 48 CO -0.07 1.42 -0.09 0.58 -1.29 0.00 0.00 177.43 177.98 1wh9 h VAL 49 N 0.22 1.26 -0.62 2.81 2.07 -1.09 -1.88 116.25 119.01 1wh9 h VAL 49 Ca -0.14 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 1wh9 h VAL 49 Cb 1.80 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 1wh9 h VAL 49 CO 0.20 0.39 0.21 -0.07 0.02 0.00 0.00 177.57 178.33 1wh9 h LEU 50 N 0.73 0.89 -0.07 2.57 3.38 -0.80 -3.26 115.31 118.75 1wh9 h LEU 50 Ca 0.13 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.00 1wh9 h LEU 50 Cb 0.57 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1wh9 h LEU 50 CO 0.03 0.85 -0.14 0.61 0.09 0.00 0.00 178.44 179.89 1wh9 n GLY 51 N -0.76 -1.45 3.61 0.83 0.00 -0.64 -0.66 105.19 106.12 1wh9 n GLY 51 Ca 0.04 -1.44 -0.49 0.00 0.00 0.00 0.00 46.02 44.13 1wh9 n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wh9 n GLU 52 N -1.86 1.83 -2.86 1.61 2.13 -1.26 -1.22 120.64 119.00 1wh9 n GLU 52 Ca 0.00 0.61 -0.17 0.00 0.66 0.00 0.00 57.16 58.26 1wh9 n GLU 52 Cb 0.17 -2.67 -0.00 0.00 0.27 0.00 0.00 31.44 29.20 1wh9 n GLU 52 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wh9 n LYS 53 N 7.33 -2.95 -2.23 5.31 4.76 -1.26 -0.81 118.16 128.31 1wh9 n LYS 53 Ca 0.29 0.57 -0.01 0.00 -2.87 0.00 0.00 58.31 56.28 1wh9 n LYS 53 Cb 0.30 -5.23 0.00 0.00 -1.84 0.00 0.00 35.03 28.26 1wh9 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wh9 n GLY 54 N -1.01 0.51 0.23 0.72 0.00 -0.36 -5.01 105.19 100.28 1wh9 n GLY 54 Ca -0.09 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1wh9 n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wh9 h ARG 55 N -0.07 -0.55 -0.77 1.61 2.47 0.37 -2.79 114.38 114.66 1wh9 h ARG 55 Ca -0.04 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1wh9 h ARG 55 Cb 1.03 0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 29.43 1wh9 h ARG 55 CO 0.04 -0.37 0.48 -0.09 0.56 0.00 0.00 179.97 180.59 1wh9 h ARG 56 N -0.57 1.03 -0.77 0.04 9.65 -1.10 -0.66 114.38 122.00 1wh9 h ARG 56 Ca -0.05 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1wh9 h ARG 56 Cb 0.45 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 28.77 1wh9 h ARG 56 CO 0.07 0.71 0.50 0.97 2.80 0.00 0.00 179.97 185.03 1wh9 h ILE 57 N 1.04 1.21 -0.24 1.20 2.10 -1.54 0.37 117.51 121.64 1wh9 h ILE 57 Ca 0.28 -0.40 -0.02 0.00 1.08 0.00 0.00 64.86 65.80 1wh9 h ILE 57 Cb -0.07 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 35.74 1wh9 h ILE 57 CO -0.05 0.20 0.08 -0.09 -1.08 0.00 0.00 178.15 177.21 1wh9 h ARG 58 N 1.05 0.37 0.64 2.19 2.43 -0.87 0.13 114.38 120.33 1wh9 h ARG 58 Ca 0.28 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1wh9 h ARG 58 Cb -0.10 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1wh9 h ARG 58 CO -0.06 0.44 -0.50 0.93 -1.51 0.00 0.00 179.97 179.27 1wh9 h GLU 59 N 0.23 -1.07 0.00 0.20 4.39 -1.08 -2.89 114.58 114.37 1wh9 h GLU 59 Ca 0.08 0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 1wh9 h GLU 59 Cb 0.22 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1wh9 h GLU 59 CO -0.00 -0.71 -0.17 -0.07 -1.16 0.00 0.00 179.01 176.89 1wh9 h LEU 60 N -1.11 0.00 0.03 1.33 3.38 -0.82 -0.65 115.31 117.47 1wh9 h LEU 60 Ca -0.08 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1wh9 h LEU 60 Cb 0.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1wh9 h LEU 60 CO 0.02 0.17 -0.17 0.74 0.09 0.00 0.00 178.44 179.29 1wh9 h THR 61 N 0.00 0.60 -0.33 0.22 2.02 -0.63 0.85 112.91 115.64 1wh9 h THR 61 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1wh9 h THR 61 Cb 0.46 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1wh9 h THR 61 CO 0.02 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 175.80 1wh9 h ALA 62 N 0.62 1.19 1.00 6.16 0.00 -0.96 0.89 119.26 128.15 1wh9 h ALA 62 Ca 0.05 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1wh9 h ALA 62 Cb 0.34 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1wh9 h ALA 62 CO -0.14 0.52 -0.48 0.28 0.00 0.00 0.00 179.25 179.43 1wh9 h VAL 63 N 0.52 0.00 -0.70 0.00 2.07 -0.91 -3.00 116.25 114.24 1wh9 h VAL 63 Ca 0.09 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.70 1wh9 h VAL 63 Cb 0.51 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 1wh9 h VAL 63 CO 0.03 0.00 0.31 0.58 0.02 0.00 0.00 177.57 178.51 1wh9 h VAL 64 N -1.35 0.79 -0.55 2.57 2.07 -0.67 0.62 116.25 119.72 1wh9 h VAL 64 Ca -0.14 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1wh9 h VAL 64 Cb 1.03 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1wh9 h VAL 64 CO 0.22 0.10 0.23 1.56 0.02 0.00 0.00 177.57 179.70 1wh9 h GLN 65 N 0.52 0.42 0.04 1.57 4.20 -0.84 0.12 115.11 121.14 1wh9 h GLN 65 Ca 0.35 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 1wh9 h GLN 65 Cb 0.42 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wh9 h GLN 65 CO -0.30 0.27 -0.02 0.87 -0.67 0.00 0.00 178.83 178.98 1wh9 h LYS 66 N 0.43 -0.05 -0.51 1.46 6.56 -1.27 -1.02 116.57 122.17 1wh9 h LYS 66 Ca 0.27 0.00 0.15 0.00 -1.06 0.00 0.00 60.65 60.01 1wh9 h LYS 66 Cb 0.27 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.92 1wh9 h LYS 66 CO -0.24 0.44 0.39 -0.09 -2.06 0.00 0.00 179.45 177.88 1wh9 h ARG 67 N -0.56 0.00 0.00 3.15 1.12 -0.11 -2.56 114.38 115.42 1wh9 h ARG 67 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1wh9 h ARG 67 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 1wh9 h ARG 67 CO 0.01 0.00 0.00 1.19 -3.11 0.00 0.00 179.97 178.06 1wh9 n PHE 68 N -4.26 0.00 -1.21 2.20 3.72 0.33 -5.03 117.46 113.20 1wh9 n PHE 68 Ca 0.09 -0.15 -0.07 0.00 -0.05 0.00 0.00 57.45 57.27 1wh9 n PHE 68 Cb 0.60 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 39.10 1wh9 n PHE 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wh9 n GLY 69 N -0.15 0.94 3.77 1.37 0.00 -0.50 -4.99 105.19 105.63 1wh9 n GLY 69 Ca 0.00 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1wh9 n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wh9 s PHE 70 N -2.26 3.17 -0.04 1.61 0.08 -0.53 -5.00 117.98 115.02 1wh9 s PHE 70 Ca 0.00 1.55 -0.30 0.00 0.12 0.00 0.00 56.93 58.30 1wh9 s PHE 70 Cb 0.00 -3.46 -0.06 0.00 -0.57 0.00 0.00 43.02 38.94 1wh9 s PHE 70 CO 0.00 -1.31 1.59 -1.25 -0.10 0.00 0.00 175.22 174.15 1wh9 s PRO 71 N -1.97 4.20 0.53 0.24 0.04 -1.26 -4.81 135.00 131.98 1wh9 s PRO 71 Ca 0.52 2.14 -0.22 0.00 0.04 0.00 0.00 61.00 63.48 1wh9 s PRO 71 Cb -0.34 -3.85 -0.06 0.00 0.04 0.00 0.00 34.50 30.29 1wh9 s PRO 71 CO 0.43 -0.78 1.18 -1.91 0.04 0.00 0.00 177.00 175.96 1wh9 n GLU 72 N 6.61 1.43 0.00 4.56 2.13 -1.26 -2.14 120.64 131.97 1wh9 n GLU 72 Ca 0.16 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1wh9 n GLU 72 Cb 0.43 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.79 1wh9 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wh9 n GLY 73 N 0.99 2.64 0.71 8.31 0.00 -1.26 -4.66 105.19 111.92 1wh9 n GLY 73 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1wh9 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh9 n SER 74 N 0.25 3.05 -4.05 1.61 7.64 -0.91 -4.87 113.62 116.34 1wh9 n SER 74 Ca 0.00 -2.04 -0.20 0.00 1.01 0.00 0.00 58.87 57.65 1wh9 n SER 74 Cb 0.00 -0.26 -0.15 0.00 -1.01 0.00 0.00 64.21 62.79 1wh9 n SER 74 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wh9 s VAL 75 N -1.06 0.84 0.12 0.44 0.11 -1.01 -0.75 120.40 119.09 1wh9 s VAL 75 Ca 0.26 -0.47 0.06 0.00 -2.93 0.00 0.00 61.98 58.90 1wh9 s VAL 75 Cb 0.14 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1wh9 s VAL 75 CO 0.17 0.22 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.41 1wh9 s GLU 76 N -0.28 1.04 -0.03 1.54 0.41 -0.61 -4.92 118.70 115.84 1wh9 s GLU 76 Ca 0.04 -1.25 0.07 0.00 -0.41 0.00 0.00 54.97 53.42 1wh9 s GLU 76 Cb -0.04 -0.92 -0.02 0.00 -1.78 0.00 0.00 34.13 31.37 1wh9 s GLU 76 CO -0.00 0.18 -0.25 -0.51 -0.49 0.00 0.00 175.26 174.18 1wh9 s LEU 77 N -2.48 2.07 0.25 1.80 1.02 -1.26 -1.14 118.68 118.95 1wh9 s LEU 77 Ca 0.09 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 53.79 1wh9 s LEU 77 Cb -0.05 -1.35 -0.05 0.00 0.02 0.00 0.00 46.19 44.75 1wh9 s LEU 77 CO 0.03 0.30 0.06 -0.31 0.02 0.00 0.00 176.35 176.45 1wh9 s TYR 78 N -0.49 1.56 -0.23 0.29 2.02 0.39 -4.96 117.35 115.94 1wh9 s TYR 78 Ca 0.06 -1.07 -0.01 0.00 -0.37 0.00 0.00 57.07 55.68 1wh9 s TYR 78 Cb -0.11 -0.93 0.07 0.00 -0.40 0.00 0.00 41.96 40.59 1wh9 s TYR 78 CO 0.00 -0.20 0.01 0.00 -1.57 0.00 0.00 175.55 173.79 1wh9 s ALA 79 N -3.60 1.45 0.04 3.71 0.00 -1.26 -1.90 121.76 120.19 1wh9 s ALA 79 Ca 0.34 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1wh9 s ALA 79 Cb 0.07 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1wh9 s ALA 79 CO 0.11 -1.25 0.06 -1.21 0.00 0.00 0.00 175.76 173.47 1wh9 s GLU 80 N 1.64 2.91 0.41 0.00 8.01 -0.33 -4.89 118.70 126.45 1wh9 s GLU 80 Ca -0.01 -0.61 -0.18 0.00 0.01 0.00 0.00 54.97 54.17 1wh9 s GLU 80 Cb -0.18 -2.75 -0.10 0.00 -4.31 0.00 0.00 34.13 26.79 1wh9 s GLU 80 CO -0.10 0.60 0.89 0.15 0.01 0.00 0.00 175.26 176.82 1wh9 s LYS 81 N -2.01 4.10 0.69 1.61 1.02 -1.26 -2.41 119.74 121.49 1wh9 s LYS 81 Ca 0.25 0.94 -0.13 0.00 0.02 0.00 0.00 55.97 57.05 1wh9 s LYS 81 Cb -0.12 -2.25 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 1wh9 s LYS 81 CO 0.17 -0.02 1.09 0.08 -0.92 0.00 0.00 175.35 175.75 1wh9 s VAL 82 N -2.21 3.41 -0.27 3.17 1.01 -0.97 -4.85 120.40 119.70 1wh9 s VAL 82 Ca 0.59 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 63.10 1wh9 s VAL 82 Cb -0.10 -3.10 0.15 0.00 0.00 0.00 0.00 36.38 33.33 1wh9 s VAL 82 CO 0.18 -0.49 0.52 0.00 0.00 0.00 0.00 175.10 175.31 1wh9 s ALA 83 N -2.60 -1.70 0.00 5.51 0.00 -1.26 -5.01 121.76 116.69 1wh9 s ALA 83 Ca 0.64 1.62 0.00 0.00 0.00 0.00 0.00 51.96 54.21 1wh9 s ALA 83 Cb -0.18 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1wh9 s ALA 83 CO 0.47 -1.14 0.05 2.41 0.00 0.00 0.00 175.76 177.55 1wh9 n THR 84 N 5.41 0.00 -3.24 0.00 -1.04 -1.26 -4.92 114.28 109.22 1wh9 n THR 84 Ca -0.05 0.15 -0.21 0.00 -2.04 0.00 0.00 64.05 61.90 1wh9 n THR 84 Cb 0.50 -0.36 -0.07 0.00 -1.82 0.00 0.00 70.33 68.57 1wh9 n THR 84 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1wh9 s ARG 85 N -0.10 0.93 -0.30 -2.82 1.81 -1.26 -5.08 118.95 112.13 1wh9 s ARG 85 Ca 0.00 -1.82 -0.08 0.00 -1.72 0.00 0.00 55.73 52.11 1wh9 s ARG 85 Cb 0.00 -1.08 0.18 0.00 -0.45 0.00 0.00 34.95 33.60 1wh9 s ARG 85 CO 0.00 -1.37 0.82 0.20 -0.68 0.00 0.00 175.30 174.27 1wh9 s GLY 86 N 0.30 -0.63 0.41 -3.53 0.00 -1.26 -5.12 107.32 97.48 1wh9 s GLY 86 Ca 0.32 2.38 0.00 0.00 0.00 0.00 0.00 44.72 47.42 1wh9 s GLY 86 CO -0.16 3.48 0.00 1.44 0.00 0.00 0.00 173.10 177.87 1wh9 n SER 87 N 5.39 -8.51 0.00 1.64 7.64 -1.26 -5.03 113.62 113.48 1wh9 n SER 87 Ca -0.05 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1wh9 n SER 87 Cb 0.52 -4.46 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 1wh9 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 88 N -4.24 2.90 3.77 0.23 0.00 -1.26 -5.11 105.19 101.47 1wh9 n GLY 88 Ca -0.01 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 1wh9 n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh9 s PRO 89 N -1.90 3.96 0.00 1.61 0.04 -1.26 -4.89 135.00 132.55 1wh9 s PRO 89 Ca 0.00 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1wh9 s PRO 89 Cb 0.00 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1wh9 s PRO 89 CO 0.00 -0.52 0.00 -1.13 0.04 0.00 0.00 177.00 175.39 1wh9 n SER 90 N 0.14 0.00 -3.65 6.66 3.41 -1.26 -4.98 113.62 113.94 1wh9 n SER 90 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.35 1wh9 n SER 90 Cb 0.43 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.23 1wh9 n SER 90 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wh9 s SER 91 N 0.00 3.80 0.00 4.04 1.04 -1.26 -5.38 113.70 115.95 1wh9 s SER 91 Ca 0.00 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 54.95 1wh9 s SER 91 Cb 0.00 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.48 1wh9 s SER 91 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.41