#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi3 s SER 2 N 0.00 0.20 -0.00 1.61 1.04 -1.26 -5.08 113.70 110.21 1wi3 s SER 2 Ca 0.00 -0.65 -0.06 0.00 0.48 0.00 0.00 55.95 55.72 1wi3 s SER 2 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 1wi3 s SER 2 CO 0.00 -0.61 -0.11 -0.24 0.98 0.00 0.00 173.24 173.25 1wi3 n SER 3 N 0.32 1.29 -3.41 7.02 2.88 -1.26 -5.08 113.62 115.39 1wi3 n SER 3 Ca -0.17 0.19 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 1wi3 n SER 3 Cb 0.60 -0.44 0.08 0.00 -0.75 0.00 0.00 64.21 63.70 1wi3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi3 n GLY 4 N 2.79 0.22 2.27 0.46 0.00 -1.26 -4.91 105.19 104.75 1wi3 n GLY 4 Ca -0.06 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 43.99 1wi3 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wi3 n SER 5 N -3.08 -2.13 -3.64 1.61 2.88 -1.26 -5.09 113.62 102.90 1wi3 n SER 5 Ca 0.10 1.11 -0.02 0.00 -1.33 0.00 0.00 58.87 58.73 1wi3 n SER 5 Cb 0.35 -4.25 -0.04 0.00 -0.75 0.00 0.00 64.21 59.51 1wi3 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wi3 s SER 6 N -0.50 -0.03 0.00 -3.46 1.04 -1.26 -5.11 113.70 104.38 1wi3 s SER 6 Ca -0.18 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1wi3 s SER 6 Cb 0.01 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1wi3 s SER 6 CO 0.48 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.28 1wi3 n GLY 7 N 0.54 0.18 3.78 7.32 0.00 -1.26 -5.07 105.19 110.68 1wi3 n GLY 7 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1wi3 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi3 s PRO 8 N -0.37 4.21 0.02 1.61 0.04 -1.26 -4.96 135.00 134.30 1wi3 s PRO 8 Ca 0.00 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 1wi3 s PRO 8 Cb 0.00 -2.62 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 1wi3 s PRO 8 CO 0.00 -0.11 1.82 1.03 0.04 0.00 0.00 177.00 179.79 1wi3 s ARG 9 N -2.37 4.16 -0.32 4.56 0.52 -1.26 -4.96 118.95 119.28 1wi3 s ARG 9 Ca 0.56 2.45 -0.01 0.00 -0.52 0.00 0.00 55.73 58.21 1wi3 s ARG 9 Cb -0.23 -4.00 0.06 0.00 0.52 0.00 0.00 34.95 31.29 1wi3 s ARG 9 CO 0.29 -0.89 0.03 -1.12 0.02 0.00 0.00 175.30 173.63 1wi3 s SER 10 N 3.74 4.91 -0.45 0.23 0.01 -1.26 -5.07 113.70 115.81 1wi3 s SER 10 Ca 0.81 -1.46 -0.22 0.00 1.31 0.00 0.00 55.95 56.40 1wi3 s SER 10 Cb -0.40 -1.71 0.03 0.00 0.21 0.00 0.00 66.02 64.15 1wi3 s SER 10 CO 0.36 -0.31 0.72 -0.13 0.41 0.00 0.00 173.24 174.29 1wi3 s ARG 11 N 1.20 3.33 0.20 12.44 0.52 -1.26 -4.90 118.95 130.48 1wi3 s ARG 11 Ca -0.02 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 1wi3 s ARG 11 Cb -0.20 -3.96 0.13 0.00 0.52 0.00 0.00 34.95 31.44 1wi3 s ARG 11 CO -0.02 -1.09 1.48 0.00 0.02 0.00 0.00 175.30 175.68 1wi3 h THR 12 N 5.93 1.42 -3.46 0.02 1.03 -2.04 -3.49 112.91 112.32 1wi3 h THR 12 Ca -0.25 -2.23 0.32 0.00 -0.01 0.00 0.00 66.41 64.24 1wi3 h THR 12 Cb 1.09 2.18 -0.18 0.00 -1.07 0.00 0.00 68.15 70.17 1wi3 h THR 12 CO 0.94 0.66 -1.24 1.17 -0.01 0.00 0.00 175.52 177.03 1wi3 n LYS 13 N -3.79 -3.33 -3.63 0.00 4.81 -1.26 -4.79 118.16 106.16 1wi3 n LYS 13 Ca -0.03 2.73 -0.38 0.00 -0.87 0.00 0.00 58.31 59.76 1wi3 n LYS 13 Cb 0.70 -3.84 -0.11 0.00 0.02 0.00 0.00 35.03 31.79 1wi3 n LYS 13 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1wi3 s ILE 14 N -4.37 5.08 0.29 3.15 1.01 -1.26 -4.97 121.20 120.13 1wi3 s ILE 14 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1wi3 s ILE 14 Cb 0.00 -3.41 0.42 0.00 0.01 0.00 0.00 42.46 39.48 1wi3 s ILE 14 CO 0.00 0.27 1.50 -1.20 0.00 0.00 0.00 174.94 175.51 1wi3 n SER 15 N 5.01 -0.19 0.00 3.58 7.64 -1.26 -4.83 113.62 123.57 1wi3 n SER 15 Ca -0.15 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.37 1wi3 n SER 15 Cb 0.52 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1wi3 n SER 15 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1wi3 n LEU 16 N -5.47 0.00 0.00 -3.43 7.94 -1.26 -5.03 117.00 109.75 1wi3 n LEU 16 Ca 0.20 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1wi3 n LEU 16 Cb 0.65 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.60 1wi3 n LEU 16 CO -0.09 0.00 0.13 -0.62 -1.11 0.00 0.00 177.39 175.71 1wi3 n GLU 17 N 0.00 0.00 -0.17 1.96 1.02 -1.26 0.12 120.64 122.31 1wi3 n GLU 17 Ca 0.00 0.27 -0.04 0.00 -0.02 0.00 0.00 57.16 57.37 1wi3 n GLU 17 Cb 0.00 -0.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.72 1wi3 n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wi3 n ALA 18 N -1.41 -0.23 0.06 0.62 0.00 -1.26 0.18 120.51 118.48 1wi3 n ALA 18 Ca 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.68 1wi3 n ALA 18 Cb 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.30 1wi3 n ALA 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wi3 h LEU 19 N 0.00 -1.21 -0.76 0.00 5.85 -1.29 0.58 115.31 118.47 1wi3 h LEU 19 Ca 0.08 0.13 0.16 0.00 0.84 0.00 0.00 57.88 59.09 1wi3 h LEU 19 Cb 0.18 0.45 -0.10 0.00 0.37 0.00 0.00 40.66 41.56 1wi3 h LEU 19 CO -0.39 -0.40 0.27 1.23 -0.34 0.00 0.00 178.44 178.81 1wi3 h GLY 20 N -0.52 1.14 0.18 3.75 0.00 0.98 1.27 103.07 109.87 1wi3 h GLY 20 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.25 1wi3 h GLY 20 CO -0.24 -0.16 -0.46 -2.22 0.00 0.00 0.00 176.54 173.46 1wi3 h ILE 21 N 0.37 0.10 -0.59 2.60 2.04 0.21 0.64 117.51 122.89 1wi3 h ILE 21 Ca 0.43 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.22 1wi3 h ILE 21 Cb 0.71 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1wi3 h ILE 21 CO -0.46 0.00 0.10 0.17 0.00 0.00 0.00 178.15 177.96 1wi3 h LEU 22 N -0.66 0.90 -0.37 1.44 8.10 0.22 -2.74 115.31 122.19 1wi3 h LEU 22 Ca 0.02 -0.20 0.06 0.00 0.11 0.00 0.00 57.88 57.88 1wi3 h LEU 22 Cb 0.70 -0.24 -0.06 0.00 -0.44 0.00 0.00 40.66 40.63 1wi3 h LEU 22 CO -0.29 0.90 0.02 -0.61 -4.11 0.00 0.00 178.44 174.36 1wi3 h GLN 23 N 0.90 0.12 -0.77 0.17 -0.00 0.28 0.34 115.11 116.15 1wi3 h GLN 23 Ca 0.18 -0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.92 1wi3 h GLN 23 Cb 0.39 -0.03 -0.07 0.00 0.00 0.00 0.00 27.48 27.77 1wi3 h GLN 23 CO 0.01 0.08 0.42 1.03 0.00 0.00 0.00 178.83 180.37 1wi3 h SER 24 N 0.12 0.58 0.17 -0.69 0.87 0.53 0.10 113.55 115.23 1wi3 h SER 24 Ca 0.18 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1wi3 h SER 24 Cb 0.24 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1wi3 h SER 24 CO -0.29 0.34 -0.21 0.15 -0.53 0.00 0.00 176.83 176.29 1wi3 h PHE 25 N 0.71 0.09 -0.36 2.24 3.04 -0.98 -0.53 116.94 121.15 1wi3 h PHE 25 Ca 0.37 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.24 1wi3 h PHE 25 Cb 0.35 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1wi3 h PHE 25 CO -0.08 0.30 -0.05 0.82 -2.02 0.00 0.00 178.31 177.28 1wi3 h ILE 26 N 0.08 1.27 0.00 1.41 2.04 0.12 0.94 117.51 123.37 1wi3 h ILE 26 Ca 0.01 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1wi3 h ILE 26 Cb 0.42 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1wi3 h ILE 26 CO 0.03 0.36 0.00 1.57 0.00 0.00 0.00 178.15 180.11 1wi3 n HIS 27 N -4.43 0.10 -0.10 1.37 -0.00 -0.56 0.15 115.22 111.74 1wi3 n HIS 27 Ca -0.02 0.03 -0.18 0.00 0.46 0.00 0.00 57.72 58.01 1wi3 n HIS 27 Cb 0.32 -0.55 -0.08 0.00 -0.12 0.00 0.00 29.99 29.56 1wi3 n HIS 27 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1wi3 n ASP 28 N -1.58 1.88 -0.07 0.26 2.03 -0.25 -4.63 116.55 114.18 1wi3 n ASP 28 Ca 0.06 0.45 -0.17 0.00 0.52 0.00 0.00 54.79 55.65 1wi3 n ASP 28 Cb 0.29 -0.89 -0.13 0.00 -0.72 0.00 0.00 41.12 39.68 1wi3 n ASP 28 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1wi3 h VAL 29 N -1.00 1.53 0.00 5.18 -1.51 0.85 -3.51 116.25 117.79 1wi3 h VAL 29 Ca -0.30 -2.31 0.00 0.00 -1.23 0.00 0.00 66.70 62.86 1wi3 h VAL 29 Cb 1.15 3.05 0.00 0.00 -2.13 0.00 0.00 31.29 33.36 1wi3 h VAL 29 CO -0.18 0.53 0.00 0.61 -1.23 0.00 0.00 177.57 177.30 1wi3 n GLY 30 N 1.56 0.55 2.29 5.19 0.00 0.38 -4.90 105.19 110.28 1wi3 n GLY 30 Ca -0.17 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.65 1wi3 n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wi3 n LEU 31 N 0.00 1.16 -2.69 0.99 4.77 -1.26 -4.28 117.00 115.69 1wi3 n LEU 31 Ca 0.00 -4.91 -0.05 0.00 -0.03 0.00 0.00 56.01 51.01 1wi3 n LEU 31 Cb 0.00 0.60 0.09 0.00 -2.33 0.00 0.00 43.42 41.78 1wi3 n LEU 31 CO 0.00 2.22 0.54 0.00 -1.33 0.00 0.00 177.39 178.82 1wi3 n TYR 32 N 0.20 -1.36 -1.54 -1.77 0.18 -1.26 -5.02 117.16 106.59 1wi3 n TYR 32 Ca 0.24 -1.15 -0.29 0.00 1.88 0.00 0.00 57.90 58.58 1wi3 n TYR 32 Cb 0.66 1.30 0.16 0.00 -0.38 0.00 0.00 39.34 41.08 1wi3 n TYR 32 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1wi3 s PRO 33 N 0.20 0.75 0.35 -3.48 0.04 -1.26 -5.09 135.00 126.51 1wi3 s PRO 33 Ca 0.24 0.14 0.09 0.00 0.04 0.00 0.00 61.00 61.50 1wi3 s PRO 33 Cb 0.26 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.94 1wi3 s PRO 33 CO -0.15 -2.43 0.01 -0.51 0.04 0.00 0.00 177.00 173.97 1wi3 s ASP 34 N -4.14 4.14 0.61 6.66 1.11 -1.26 -4.94 116.67 118.84 1wi3 s ASP 34 Ca 0.66 -1.03 0.26 0.00 0.18 0.00 0.00 52.55 52.62 1wi3 s ASP 34 Cb -0.12 -0.51 1.20 0.00 1.07 0.00 0.00 42.92 44.56 1wi3 s ASP 34 CO 0.54 -0.26 1.64 1.56 1.18 0.00 0.00 175.17 179.82 1wi3 h GLN 35 N 1.81 0.00 0.01 8.23 4.20 -1.98 0.43 115.11 127.81 1wi3 h GLN 35 Ca -0.43 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.28 1wi3 h GLN 35 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1wi3 h GLN 35 CO 0.68 0.00 -0.01 1.49 -0.67 0.00 0.00 178.83 180.32 1wi3 h GLU 36 N 0.00 -0.02 -1.00 1.46 4.81 -1.99 -1.84 114.58 116.01 1wi3 h GLU 36 Ca 0.24 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1wi3 h GLU 36 Cb 1.70 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.03 1wi3 h GLU 36 CO -0.00 0.78 0.66 0.00 -0.73 0.00 0.00 179.01 179.72 1wi3 h ALA 37 N 0.00 1.30 -0.29 2.92 0.00 -0.67 -1.15 119.26 121.37 1wi3 h ALA 37 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1wi3 h ALA 37 Cb 0.80 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wi3 h ALA 37 CO 0.00 0.60 0.09 0.82 0.00 0.00 0.00 179.25 180.76 1wi3 h ILE 38 N 1.31 1.20 -0.99 0.00 2.04 -0.84 -1.41 117.51 118.82 1wi3 h ILE 38 Ca 0.38 -0.65 0.13 0.00 1.00 0.00 0.00 64.86 65.73 1wi3 h ILE 38 Cb -0.07 1.09 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 1wi3 h ILE 38 CO -0.10 0.22 0.61 -0.74 0.00 0.00 0.00 178.15 178.14 1wi3 h HIS 39 N 0.30 1.10 -0.38 1.37 2.76 -0.51 0.67 115.15 120.46 1wi3 h HIS 39 Ca 0.09 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.20 1wi3 h HIS 39 Cb 0.25 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1wi3 h HIS 39 CO 0.01 0.40 -0.17 1.15 -1.30 0.00 0.00 177.93 178.01 1wi3 h THR 40 N 0.93 1.26 -0.25 6.26 2.02 -0.78 -0.15 112.91 122.20 1wi3 h THR 40 Ca 0.51 -1.23 -0.18 0.00 0.77 0.00 0.00 66.41 66.28 1wi3 h THR 40 Cb 0.57 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1wi3 h THR 40 CO -0.29 0.41 -0.56 -0.07 0.37 0.00 0.00 175.52 175.38 1wi3 h LEU 41 N 0.63 0.88 -0.85 2.58 3.38 0.35 0.88 115.31 123.16 1wi3 h LEU 41 Ca 0.10 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1wi3 h LEU 41 Cb 0.64 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1wi3 h LEU 41 CO 0.04 1.25 0.00 -1.28 0.09 0.00 0.00 178.44 178.55 1wi3 h SER 42 N 0.60 0.00 0.00 -0.43 0.87 0.47 -2.30 113.55 112.76 1wi3 h SER 42 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1wi3 h SER 42 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1wi3 h SER 42 CO 0.12 0.00 -0.16 0.00 -0.53 0.00 0.00 176.83 176.26 1wi3 n ALA 43 N -1.93 0.14 -0.33 6.23 0.00 -0.09 -0.71 120.51 123.83 1wi3 n ALA 43 Ca 0.02 -0.31 0.22 0.00 0.00 0.00 0.00 53.44 53.37 1wi3 n ALA 43 Cb 0.31 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.18 1wi3 n ALA 43 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wi3 h GLN 44 N -0.19 0.01 0.00 0.00 4.15 0.67 0.90 115.11 120.64 1wi3 h GLN 44 Ca 0.00 -0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.14 1wi3 h GLN 44 Cb 0.16 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 1wi3 h GLN 44 CO 0.00 0.00 -1.78 1.28 -1.93 0.00 0.00 178.83 176.41 1wi3 n LEU 45 N -5.40 0.73 0.00 -2.39 4.77 -0.87 -4.97 117.00 108.88 1wi3 n LEU 45 Ca 0.29 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1wi3 n LEU 45 Cb 0.98 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.28 1wi3 n LEU 45 CO -0.04 0.37 0.00 -0.67 -1.33 0.00 0.00 177.39 175.72 1wi3 n ASP 46 N -2.97 -2.06 -4.97 -1.43 2.03 0.31 -5.03 116.55 102.42 1wi3 n ASP 46 Ca -0.18 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.92 1wi3 n ASP 46 Cb 1.04 -0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 40.97 1wi3 n ASP 46 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wi3 s LEU 47 N 0.00 4.06 0.74 -2.67 1.43 0.12 -4.89 118.68 117.46 1wi3 s LEU 47 Ca 0.00 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1wi3 s LEU 47 Cb 0.00 -2.94 0.03 0.00 0.03 0.00 0.00 46.19 43.32 1wi3 s LEU 47 CO 0.00 -0.32 1.07 -2.16 0.23 0.00 0.00 176.35 175.18 1wi3 s PRO 48 N -4.18 2.61 0.02 1.29 0.04 -1.26 -3.96 135.00 129.56 1wi3 s PRO 48 Ca 0.41 0.83 -0.25 0.00 0.04 0.00 0.00 61.00 62.02 1wi3 s PRO 48 Cb -0.09 -1.96 -0.18 0.00 0.04 0.00 0.00 34.50 32.31 1wi3 s PRO 48 CO 0.32 -1.30 1.38 0.87 0.04 0.00 0.00 177.00 178.31 1wi3 h LYS 49 N -0.86 -0.20 -0.97 4.56 1.57 -1.93 -1.69 116.57 117.05 1wi3 h LYS 49 Ca -0.45 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1wi3 h LYS 49 Cb 1.23 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 33.47 1wi3 h LYS 49 CO 0.58 0.10 0.54 1.12 -0.57 0.00 0.00 179.45 181.22 1wi3 h HIS 50 N -0.50 0.93 0.80 -1.35 2.07 -1.97 1.52 115.15 116.65 1wi3 h HIS 50 Ca -0.02 0.04 -0.04 0.00 -2.85 0.00 0.00 60.37 57.50 1wi3 h HIS 50 Cb 0.39 -0.26 0.01 0.00 2.57 0.00 0.00 27.41 30.11 1wi3 h HIS 50 CO 0.02 0.08 -0.38 1.15 -3.07 0.00 0.00 177.93 175.73 1wi3 h THR 51 N 0.58 0.11 -0.65 6.12 2.02 -1.89 1.45 112.91 120.65 1wi3 h THR 51 Ca 0.60 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.67 1wi3 h THR 51 Cb 1.08 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 1wi3 h THR 51 CO -0.46 0.01 0.39 0.40 0.37 0.00 0.00 175.52 176.23 1wi3 h ILE 52 N -1.20 1.05 0.75 3.11 2.04 -0.28 0.16 117.51 123.15 1wi3 h ILE 52 Ca -0.11 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1wi3 h ILE 52 Cb 0.84 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1wi3 h ILE 52 CO 0.18 0.14 -0.36 0.40 0.00 0.00 0.00 178.15 178.51 1wi3 h ILE 53 N 0.76 0.00 -0.87 -0.67 2.04 0.22 -1.10 117.51 117.89 1wi3 h ILE 53 Ca 0.27 -0.11 0.13 0.00 1.00 0.00 0.00 64.86 66.15 1wi3 h ILE 53 Cb 0.06 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.00 1wi3 h ILE 53 CO -0.12 0.00 -0.41 0.11 0.00 0.00 0.00 178.15 177.73 1wi3 h LYS 54 N -1.12 -0.06 -0.46 2.37 1.57 0.22 0.54 116.57 119.63 1wi3 h LYS 54 Ca -0.10 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1wi3 h LYS 54 Cb 0.78 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.02 1wi3 h LYS 54 CO 0.17 -0.04 -0.09 0.35 -0.57 0.00 0.00 179.45 179.27 1wi3 h PHE 55 N -0.06 -0.19 -0.61 -1.35 3.57 -0.89 -0.92 116.94 116.48 1wi3 h PHE 55 Ca 0.28 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.85 1wi3 h PHE 55 Cb 0.56 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 1wi3 h PHE 55 CO -0.83 -0.18 0.37 0.74 -2.23 0.00 0.00 178.31 176.18 1wi3 h PHE 56 N 0.02 0.69 -0.97 0.41 0.04 0.12 -1.26 116.94 115.99 1wi3 h PHE 56 Ca 0.23 0.02 0.24 0.00 2.80 0.00 0.00 57.97 61.26 1wi3 h PHE 56 Cb 0.34 -0.22 -0.07 0.00 2.20 0.00 0.00 35.95 38.20 1wi3 h PHE 56 CO -0.37 0.39 0.65 1.96 -0.60 0.00 0.00 178.31 180.33 1wi3 h GLN 57 N 0.73 0.33 0.16 1.51 4.20 0.11 0.51 115.11 122.65 1wi3 h GLN 57 Ca 0.25 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1wi3 h GLN 57 Cb 0.03 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1wi3 h GLN 57 CO -0.11 0.22 -0.08 -0.97 -0.67 0.00 0.00 178.83 177.22 1wi3 h ASN 58 N 0.34 -0.18 -0.60 1.46 -1.24 -0.76 -0.58 115.58 114.01 1wi3 h ASN 58 Ca 0.52 -0.29 0.11 0.00 0.71 0.00 0.00 56.30 57.35 1wi3 h ASN 58 Cb 1.42 0.05 -0.12 0.00 0.73 0.00 0.00 38.32 40.40 1wi3 h ASN 58 CO -0.19 0.21 -0.29 1.56 -1.29 0.00 0.00 177.43 177.43 1wi3 h GLN 59 N -0.61 -0.12 -0.18 6.67 1.08 -0.63 0.27 115.11 121.58 1wi3 h GLN 59 Ca -0.02 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1wi3 h GLN 59 Cb 0.46 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1wi3 h GLN 59 CO 0.04 -0.08 0.11 0.00 -0.95 0.00 0.00 178.83 177.94 1wi3 h ARG 60 N -0.13 0.25 -0.18 1.46 3.08 -1.31 0.60 114.38 118.16 1wi3 h ARG 60 Ca 0.25 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.33 1wi3 h ARG 60 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1wi3 h ARG 60 CO -0.68 0.21 0.26 -0.92 -1.07 0.00 0.00 179.97 177.77 1wi3 h TYR 61 N 0.21 0.00 0.00 3.04 3.20 0.70 -2.86 116.97 121.26 1wi3 h TYR 61 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1wi3 h TYR 61 Cb 0.03 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1wi3 h TYR 61 CO -0.05 0.00 -0.49 0.72 -1.64 0.00 0.00 178.16 176.70 1wi3 n HIS 62 N -3.55 0.74 -1.53 -3.82 8.25 0.76 -4.77 115.22 111.29 1wi3 n HIS 62 Ca 0.02 0.32 -0.27 0.00 -0.26 0.00 0.00 57.72 57.52 1wi3 n HIS 62 Cb 0.37 -0.68 -0.11 0.00 1.12 0.00 0.00 29.99 30.69 1wi3 n HIS 62 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1wi3 n VAL 63 N -4.31 -0.03 -3.22 1.59 0.24 0.20 -4.78 118.33 108.02 1wi3 n VAL 63 Ca -0.07 -0.48 -0.34 0.00 -2.04 0.00 0.00 64.34 61.41 1wi3 n VAL 63 Cb 0.25 -1.48 -0.04 0.00 -1.47 0.00 0.00 33.84 31.10 1wi3 n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1wi3 n LYS 64 N 8.09 3.41 -3.70 7.34 0.00 -1.26 -4.83 118.16 127.20 1wi3 n LYS 64 Ca 0.53 -4.64 -0.38 0.00 0.00 0.00 0.00 58.31 53.82 1wi3 n LYS 64 Cb 0.32 -2.36 -0.12 0.00 0.00 0.00 0.00 35.03 32.86 1wi3 n LYS 64 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1wi3 s HIS 65 N -2.70 3.16 0.23 5.64 3.76 -1.26 -4.87 115.29 119.25 1wi3 s HIS 65 Ca 0.37 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1wi3 s HIS 65 Cb 0.12 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.50 1wi3 s HIS 65 CO 0.03 -0.52 0.00 0.45 -0.85 0.00 0.00 174.74 173.85 1wi3 n SER 66 N 4.93 0.21 0.00 1.40 2.88 -1.26 -5.17 113.62 116.61 1wi3 n SER 66 Ca -0.14 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1wi3 n SER 66 Cb 0.48 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1wi3 n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi3 n GLY 67 N 2.12 -0.40 3.58 0.46 0.00 -1.26 -5.02 105.19 104.67 1wi3 n GLY 67 Ca 0.00 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1wi3 n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi3 s PRO 68 N 0.00 3.24 -0.33 1.61 0.04 -1.26 -4.66 135.00 133.64 1wi3 s PRO 68 Ca 0.00 -1.50 -0.07 0.00 0.04 0.00 0.00 61.00 59.47 1wi3 s PRO 68 Cb 0.00 -5.38 0.19 0.00 0.04 0.00 0.00 34.50 29.35 1wi3 s PRO 68 CO 0.00 -3.07 0.97 -1.12 0.04 0.00 0.00 177.00 173.82 1wi3 s SER 69 N 5.45 -0.58 0.07 6.66 0.01 -1.26 -5.10 113.70 118.95 1wi3 s SER 69 Ca 0.61 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1wi3 s SER 69 Cb 0.01 0.93 0.00 0.00 0.21 0.00 0.00 66.02 67.17 1wi3 s SER 69 CO 0.09 -0.08 0.00 -1.20 0.41 0.00 0.00 173.24 172.46 1wi3 n SER 70 N 4.25 -7.76 -0.34 2.44 7.64 -1.26 -4.96 113.62 113.62 1wi3 n SER 70 Ca 0.07 1.33 0.04 0.00 1.01 0.00 0.00 58.87 61.32 1wi3 n SER 70 Cb 0.61 -4.25 0.04 0.00 -1.01 0.00 0.00 64.21 59.59 1wi3 n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64