#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dd4 h ASN 2 N 0.00 0.09 -0.99 3.17 2.35 -2.06 -3.21 115.58 114.92 3dd4 h ASN 2 Ca 0.00 -0.35 0.36 0.00 -0.55 0.00 0.00 56.30 55.77 3dd4 h ASN 2 Cb 0.00 -0.02 -0.18 0.00 0.05 0.00 0.00 38.32 38.17 3dd4 h ASN 2 CO 0.00 0.41 0.35 0.00 -1.65 0.00 0.00 177.43 176.54 3dd4 n LEU 3 N -4.86 0.18 0.02 1.61 -0.00 -1.26 -0.71 117.00 111.98 3dd4 n LEU 3 Ca -0.07 1.66 -0.09 0.00 -0.00 0.00 0.00 56.01 57.51 3dd4 n LEU 3 Cb 0.20 -0.73 -0.06 0.00 -0.00 0.00 0.00 43.42 42.83 3dd4 n LEU 3 CO 0.34 -1.80 0.50 -0.08 -0.00 0.00 0.00 177.39 176.36 3dd4 h GLU 4 N 0.00 -0.37 0.00 1.47 4.81 -1.99 1.18 114.58 119.68 3dd4 h GLU 4 Ca 0.76 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 60.01 3dd4 h GLU 4 Cb 1.87 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.34 3dd4 h GLU 4 CO -0.83 -0.25 0.00 0.41 -0.73 0.00 0.00 179.01 177.62 3dd4 n GLY 5 N -1.27 -0.60 0.13 1.92 0.00 0.12 -1.54 105.19 103.95 3dd4 n GLY 5 Ca -0.04 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 3dd4 n GLY 5 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dd4 n LEU 6 N -1.63 2.60 0.17 0.99 7.94 0.36 -3.58 117.00 123.85 3dd4 n LEU 6 Ca -0.00 -0.06 0.05 0.00 -1.11 0.00 0.00 56.01 54.89 3dd4 n LEU 6 Cb 0.02 -0.79 0.48 0.00 0.53 0.00 0.00 43.42 43.66 3dd4 n LEU 6 CO 0.03 0.87 0.96 -0.33 -1.11 0.00 0.00 177.39 177.81 3dd4 h GLU 7 N 0.01 0.14 0.67 1.96 5.08 0.19 -2.42 114.58 120.21 3dd4 h GLU 7 Ca -0.54 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.76 3dd4 h GLU 7 Cb 1.96 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.18 3dd4 h GLU 7 CO -0.05 0.23 -0.37 0.52 -1.00 0.00 0.00 179.01 178.35 3dd4 h MET 8 N 0.14 -0.93 -0.89 2.33 2.86 -1.42 0.17 114.93 117.20 3dd4 h MET 8 Ca 0.03 0.06 0.14 0.00 -2.06 0.00 0.00 59.70 57.88 3dd4 h MET 8 Cb 0.24 0.21 -0.09 0.00 0.06 0.00 0.00 31.60 32.02 3dd4 h MET 8 CO 0.01 -0.62 0.50 0.97 1.06 0.00 0.00 176.91 178.83 3dd4 h ILE 9 N -0.96 0.78 -0.53 -1.22 2.10 -1.52 0.74 117.51 116.89 3dd4 h ILE 9 Ca -0.09 -0.25 -0.07 0.00 1.08 0.00 0.00 64.86 65.53 3dd4 h ILE 9 Cb 0.76 -0.01 -0.02 0.00 -1.09 0.00 0.00 36.82 36.46 3dd4 h ILE 9 CO 0.12 0.13 0.06 0.00 -1.08 0.00 0.00 178.15 177.39 3dd4 h ALA 10 N 1.55 1.11 -0.38 0.18 0.00 -1.14 -2.10 119.26 118.49 3dd4 h ALA 10 Ca 0.48 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3dd4 h ALA 10 Cb 0.62 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3dd4 h ALA 10 CO -0.33 0.58 -0.07 -0.24 0.00 0.00 0.00 179.25 179.19 3dd4 h VAL 11 N 0.81 1.27 -0.67 0.00 3.04 0.29 -2.75 116.25 118.25 3dd4 h VAL 11 Ca 0.17 -1.12 -0.01 0.00 -1.01 0.00 0.00 66.70 64.72 3dd4 h VAL 11 Cb 0.40 1.23 -0.03 0.00 -2.01 0.00 0.00 31.29 30.87 3dd4 h VAL 11 CO 0.01 0.37 0.38 0.25 -1.01 0.00 0.00 177.57 177.58 3dd4 h LEU 12 N 0.52 0.81 0.52 3.16 6.46 0.56 -2.71 115.31 124.63 3dd4 h LEU 12 Ca 0.10 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 3dd4 h LEU 12 Cb 0.57 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 3dd4 h LEU 12 CO 0.03 0.64 -0.35 0.40 -0.62 0.00 0.00 178.44 178.54 3dd4 h ILE 13 N 0.92 0.00 -1.19 4.05 1.08 -1.23 -2.19 117.51 118.96 3dd4 h ILE 13 Ca 0.24 0.00 0.40 0.00 -0.39 0.00 0.00 64.86 65.11 3dd4 h ILE 13 Cb -0.00 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.63 3dd4 h ILE 13 CO -0.04 0.00 0.77 0.52 -0.69 0.00 0.00 178.15 178.71 3dd4 n VAL 14 N -4.56 -0.19 0.06 1.67 0.31 -1.04 0.55 118.33 115.13 3dd4 n VAL 14 Ca -0.10 1.47 -0.09 0.00 -0.01 0.00 0.00 64.34 65.61 3dd4 n VAL 14 Cb 0.35 -2.41 -0.06 0.00 -0.91 0.00 0.00 33.84 30.81 3dd4 n VAL 14 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3dd4 h ILE 15 N 0.00 0.62 -0.72 2.52 5.03 -1.25 -1.38 117.51 122.34 3dd4 h ILE 15 Ca 0.73 -1.07 0.16 0.00 -0.12 0.00 0.00 64.86 64.56 3dd4 h ILE 15 Cb 2.42 1.06 -0.11 0.00 -3.03 0.00 0.00 36.82 37.16 3dd4 h ILE 15 CO -0.35 0.17 0.11 0.58 -0.68 0.00 0.00 178.15 177.98 3dd4 h VAL 16 N -0.95 0.47 -0.73 1.67 2.07 0.71 0.58 116.25 120.07 3dd4 h VAL 16 Ca -0.03 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3dd4 h VAL 16 Cb 0.47 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3dd4 h VAL 16 CO 0.04 0.04 0.25 -0.07 0.02 0.00 0.00 177.57 177.85 3dd4 h LEU 17 N 0.20 1.05 -1.73 2.57 3.38 -1.04 -1.65 115.31 118.09 3dd4 h LEU 17 Ca 0.40 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3dd4 h LEU 17 Cb 0.68 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3dd4 h LEU 17 CO -0.54 0.97 0.12 -0.26 0.09 0.00 0.00 178.44 178.81 3dd4 h PHE 18 N 1.08 0.28 0.09 1.13 -1.00 0.12 -0.52 116.94 118.11 3dd4 h PHE 18 Ca 0.24 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.02 3dd4 h PHE 18 Cb 0.28 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.74 3dd4 h PHE 18 CO 0.02 0.20 -0.04 0.28 -1.61 0.00 0.00 178.31 177.16 3dd4 h VAL 19 N 0.30 0.82 -0.88 -0.55 2.07 -0.57 -2.22 116.25 115.21 3dd4 h VAL 19 Ca 0.08 -1.37 0.12 0.00 0.82 0.00 0.00 66.70 66.35 3dd4 h VAL 19 Cb 0.01 1.47 -0.14 0.00 -1.52 0.00 0.00 31.29 31.11 3dd4 h VAL 19 CO -0.01 0.25 -0.43 0.50 0.02 0.00 0.00 177.57 177.89 3dd4 h LYS 20 N -0.95 -0.06 0.25 1.57 3.64 -0.95 0.40 116.57 120.48 3dd4 h LYS 20 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3dd4 h LYS 20 Cb 0.50 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3dd4 h LYS 20 CO 0.02 -0.04 -0.12 -0.07 -2.27 0.00 0.00 179.45 176.97 3dd4 h LEU 21 N -0.06 -0.28 -0.66 5.20 3.38 -1.22 0.49 115.31 122.17 3dd4 h LEU 21 Ca 0.27 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.35 3dd4 h LEU 21 Cb 0.55 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.26 3dd4 h LEU 21 CO -0.90 -0.16 0.05 -0.07 0.09 0.00 0.00 178.44 177.45 3dd4 h LEU 22 N -0.38 -0.20 -0.71 1.67 -0.00 -0.40 0.41 115.31 115.70 3dd4 h LEU 22 Ca -0.03 0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 3dd4 h LEU 22 Cb 0.29 0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 3dd4 h LEU 22 CO 0.06 -0.10 0.42 -0.33 -0.00 0.00 0.00 178.44 178.49 3dd4 h GLU 23 N 0.16 0.97 -0.75 1.13 5.08 0.07 -1.54 114.58 119.70 3dd4 h GLU 23 Ca 0.36 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 3dd4 h GLU 23 Cb 0.59 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3dd4 h GLU 23 CO -0.54 0.69 0.49 0.37 -1.00 0.00 0.00 179.01 179.02 3dd4 h GLN 24 N 0.97 0.76 0.00 2.33 5.75 0.18 -0.65 115.11 124.45 3dd4 h GLN 24 Ca 0.25 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 3dd4 h GLN 24 Cb -0.02 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.36 3dd4 h GLN 24 CO -0.05 0.50 0.00 1.19 -2.65 0.00 0.00 178.83 177.83 3dd4 n PHE 25 N -4.48 0.56 -1.01 3.99 0.99 0.11 -2.01 117.46 115.61 3dd4 n PHE 25 Ca 0.11 0.19 -0.00 0.00 -0.00 0.00 0.00 57.45 57.75 3dd4 n PHE 25 Cb 0.23 -0.80 -0.00 0.00 -1.00 0.00 0.00 39.48 37.90 3dd4 n PHE 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dd4 n GLY 26 N 0.76 0.44 0.49 1.37 0.00 -0.25 -4.42 105.19 103.58 3dd4 n GLY 26 Ca 0.05 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.56 3dd4 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dd4 n LEU 27 N -0.02 1.53 0.00 0.99 4.77 -0.84 -4.89 117.00 118.53 3dd4 n LEU 27 Ca -0.00 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3dd4 n LEU 27 Cb 0.01 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dd4 n LEU 27 CO 0.00 0.26 -0.14 -0.38 -1.33 0.00 0.00 177.39 175.81 3dd4 n ILE 28 N 0.20 0.01 0.00 -0.08 2.08 -1.24 -4.93 119.36 115.40 3dd4 n ILE 28 Ca 0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.50 3dd4 n ILE 28 Cb 0.35 -0.78 0.00 0.00 -0.75 0.00 0.00 39.64 38.46 3dd4 n ILE 28 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3dd4 n GLU 33 N -2.66 0.00 -0.66 0.38 4.71 -1.26 -5.03 120.64 116.12 3dd4 n GLU 33 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 3dd4 n GLU 33 Cb 0.14 -0.51 0.22 0.00 -1.01 0.00 0.00 31.44 30.28 3dd4 n GLU 33 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3dd4 n ASP 34 N 0.00 3.91 -4.75 1.62 10.43 -1.26 -4.62 116.55 121.88 3dd4 n ASP 34 Ca 0.00 -2.75 -0.40 0.00 2.57 0.00 0.00 54.79 54.21 3dd4 n ASP 34 Cb 0.00 -0.65 -0.05 0.00 1.84 0.00 0.00 41.12 42.25 3dd4 n ASP 34 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3dd4 s SER 35 N -0.50 7.48 0.34 -2.24 0.15 -1.26 -3.97 113.70 113.70 3dd4 s SER 35 Ca 0.36 1.76 0.04 0.00 0.70 0.00 0.00 55.95 58.81 3dd4 s SER 35 Cb 0.29 -2.55 0.68 0.00 -1.71 0.00 0.00 66.02 62.72 3dd4 s SER 35 CO 0.09 0.10 1.93 -0.37 1.20 0.00 0.00 173.24 176.19 3dd4 h VAL 36 N 3.54 1.01 -0.48 4.45 -1.51 -1.70 0.65 116.25 122.21 3dd4 h VAL 36 Ca -0.45 -0.29 -0.12 0.00 -1.23 0.00 0.00 66.70 64.61 3dd4 h VAL 36 Cb 1.20 0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 3dd4 h VAL 36 CO 0.69 0.15 -0.18 -0.33 -1.23 0.00 0.00 177.57 176.67 3dd4 h GLU 37 N 0.84 0.94 -0.40 5.19 4.39 -1.84 0.93 114.58 124.63 3dd4 h GLU 37 Ca 0.36 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3dd4 h GLU 37 Cb 0.30 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3dd4 h GLU 37 CO -0.13 1.04 0.19 -0.44 -1.16 0.00 0.00 179.01 178.50 3dd4 h ASP 38 N 0.82 0.52 -0.94 1.42 3.45 -1.21 0.87 116.42 121.36 3dd4 h ASP 38 Ca 0.12 -0.13 0.03 0.00 0.43 0.00 0.00 57.03 57.48 3dd4 h ASP 38 Cb 0.73 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 39.32 3dd4 h ASP 38 CO 0.06 0.51 0.62 -0.08 -1.57 0.00 0.00 179.24 178.77 3dd4 h GLU 39 N 0.50 1.15 0.04 3.56 4.81 0.44 -2.39 114.58 122.69 3dd4 h GLU 39 Ca 0.14 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3dd4 h GLU 39 Cb 0.13 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3dd4 h GLU 39 CO -0.02 0.76 -0.02 1.25 -0.73 0.00 0.00 179.01 180.25 3dd4 h LEU 40 N 1.18 -0.05 0.00 1.64 6.46 0.31 -3.05 115.31 121.80 3dd4 h LEU 40 Ca 0.37 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3dd4 h LEU 40 Cb 0.01 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 3dd4 h LEU 40 CO -0.11 0.38 0.00 -0.62 -0.62 0.00 0.00 178.44 177.46 3dd4 n GLU 41 N -4.91 0.53 0.07 1.25 1.02 0.19 -1.99 120.64 116.80 3dd4 n GLU 41 Ca -0.08 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.18 3dd4 n GLU 41 Cb 0.23 -1.46 0.15 0.00 -0.02 0.00 0.00 31.44 30.33 3dd4 n GLU 41 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3dd4 h MET 42 N 0.00 0.00 0.00 3.49 4.05 -1.32 -3.46 114.93 117.69 3dd4 h MET 42 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3dd4 h MET 42 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3dd4 h MET 42 CO 0.00 0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.14 3dd4 n ALA 43 N -1.88 0.00 -2.84 0.39 0.00 -0.84 -5.10 120.51 110.24 3dd4 n ALA 43 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3dd4 n ALA 43 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3dd4 n ALA 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dd4 n THR 44 N -1.99 0.00 0.00 0.00 -2.24 -1.26 -4.97 114.28 103.82 3dd4 n THR 44 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3dd4 n THR 44 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3dd4 n THR 44 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3dd4 n VAL 45 N 0.00 0.00 0.29 2.28 0.24 -1.26 -4.22 118.33 115.66 3dd4 n VAL 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3dd4 n VAL 45 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3dd4 n VAL 45 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3dd4 n ARG 46 N 0.00 0.29 -0.01 7.34 3.00 -1.26 -2.42 116.66 123.60 3dd4 n ARG 46 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.83 3dd4 n ARG 46 Cb 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 32.46 31.18 3dd4 n ARG 46 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3dd4 n HIS 47 N 0.64 0.00 -0.29 -1.55 8.25 -1.26 -4.72 115.22 116.29 3dd4 n HIS 47 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3dd4 n HIS 47 Cb 0.11 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 3dd4 n HIS 47 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3dd4 n ARG 48 N -2.08 -0.22 0.10 -0.41 3.00 -1.02 0.20 116.66 116.24 3dd4 n ARG 48 Ca -0.03 1.10 0.03 0.00 -0.00 0.00 0.00 57.85 58.95 3dd4 n ARG 48 Cb 0.56 -1.62 0.42 0.00 0.00 0.00 0.00 32.46 31.82 3dd4 n ARG 48 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3dd4 h PRO 49 N 0.00 0.30 -0.01 -0.14 0.13 -1.86 0.06 132.00 130.48 3dd4 h PRO 49 Ca 0.20 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.17 3dd4 h PRO 49 Cb 0.38 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 3dd4 h PRO 49 CO -0.70 0.35 -0.53 0.93 -0.23 0.00 0.00 178.00 177.81 3dd4 h GLU 50 N 0.30 0.03 -0.04 0.86 5.08 0.20 -2.38 114.58 118.63 3dd4 h GLU 50 Ca 0.07 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3dd4 h GLU 50 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3dd4 h GLU 50 CO 0.01 0.56 -0.21 0.00 -1.00 0.00 0.00 179.01 178.36 3dd4 h ALA 51 N 1.44 0.09 -1.00 3.43 0.00 0.20 -2.77 119.26 120.64 3dd4 h ALA 51 Ca -0.00 -0.41 0.18 0.00 0.00 0.00 0.00 54.91 54.68 3dd4 h ALA 51 Cb 0.95 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 3dd4 h ALA 51 CO 0.07 0.07 0.61 1.25 0.00 0.00 0.00 179.25 181.25 3dd4 h LEU 52 N -0.33 0.80 -0.19 0.00 6.46 -0.93 0.43 115.31 121.56 3dd4 h LEU 52 Ca -0.01 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3dd4 h LEU 52 Cb 0.87 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 3dd4 h LEU 52 CO 0.04 0.31 0.06 -0.08 -0.62 0.00 0.00 178.44 178.16 3dd4 h GLU 53 N 0.80 0.28 0.13 1.25 4.81 -1.36 -1.69 114.58 118.81 3dd4 h GLU 53 Ca 0.56 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.73 3dd4 h GLU 53 Cb 0.81 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3dd4 h GLU 53 CO -0.36 0.38 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.14 3dd4 h LEU 54 N 0.13 -0.23 -0.52 1.64 4.07 -0.90 -0.27 115.31 119.23 3dd4 h LEU 54 Ca 0.06 0.02 0.10 0.00 0.08 0.00 0.00 57.88 58.14 3dd4 h LEU 54 Cb 0.21 0.07 -0.08 0.00 1.08 0.00 0.00 40.66 41.94 3dd4 h LEU 54 CO -0.00 -0.15 0.04 -0.07 -1.08 0.00 0.00 178.44 177.18 3dd4 h LEU 55 N -0.22 -0.14 -0.07 1.67 3.38 -0.97 -1.26 115.31 117.70 3dd4 h LEU 55 Ca -0.01 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3dd4 h LEU 55 Cb 0.20 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3dd4 h LEU 55 CO -0.00 -0.04 0.01 -0.33 0.09 0.00 0.00 178.44 178.17 3dd4 h GLU 56 N 0.16 0.04 0.10 1.13 5.08 -0.91 -0.61 114.58 119.58 3dd4 h GLU 56 Ca 0.27 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3dd4 h GLU 56 Cb 0.40 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3dd4 h GLU 56 CO -0.41 0.03 -0.26 0.00 -1.00 0.00 0.00 179.01 177.38 3dd4 h ALA 57 N 1.05 -0.81 -0.43 3.43 0.00 -0.41 -0.39 119.26 121.68 3dd4 h ALA 57 Ca 0.03 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.00 3dd4 h ALA 57 Cb 0.02 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3dd4 h ALA 57 CO -0.04 -0.87 0.36 -0.56 0.00 0.00 0.00 179.25 178.15 3dd4 h GLN 58 N -0.40 0.00 0.00 0.00 3.07 -1.20 0.77 115.11 117.35 3dd4 h GLN 58 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 3dd4 h GLN 58 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 3dd4 h GLN 58 CO -0.11 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.47 3dd4 h SER 59 N 0.00 0.00 0.69 0.06 4.64 -0.48 -2.94 113.55 115.52 3dd4 h SER 59 Ca 0.21 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.31 3dd4 h SER 59 Cb 0.92 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3dd4 h SER 59 CO -0.00 0.00 -0.98 0.50 -0.87 0.00 0.00 176.83 175.48 3dd4 h LYS 60 N 0.00 0.16 0.16 4.77 3.64 0.23 -0.78 116.57 124.75 3dd4 h LYS 60 Ca 0.00 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 3dd4 h LYS 60 Cb 0.85 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3dd4 h LYS 60 CO 0.00 1.01 -0.08 0.74 -2.27 0.00 0.00 179.45 178.86 3dd4 h PHE 61 N 0.07 -0.20 -0.44 1.91 -1.00 -1.37 -1.58 116.94 114.34 3dd4 h PHE 61 Ca -0.05 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.81 3dd4 h PHE 61 Cb 1.65 0.07 -0.08 0.00 3.61 0.00 0.00 35.95 41.20 3dd4 h PHE 61 CO 0.03 0.06 -0.06 1.15 -1.61 0.00 0.00 178.31 177.88 3dd4 h THR 62 N -0.44 0.61 -0.34 -1.55 2.02 -1.50 0.15 112.91 111.86 3dd4 h THR 62 Ca -0.02 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.21 3dd4 h THR 62 Cb 0.35 0.55 -0.09 0.00 -1.74 0.00 0.00 68.15 67.22 3dd4 h THR 62 CO 0.04 0.01 -0.34 0.11 0.37 0.00 0.00 175.52 175.70 3dd4 h LYS 63 N 0.05 -0.29 -0.71 6.66 1.79 -0.85 -1.31 116.57 121.91 3dd4 h LYS 63 Ca 0.22 0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.83 3dd4 h LYS 63 Cb 0.32 0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 30.95 3dd4 h LYS 63 CO -0.41 -0.19 0.27 -0.22 -1.08 0.00 0.00 179.45 177.82 3dd4 h LYS 64 N -0.30 0.42 -0.45 3.15 1.63 0.16 0.31 116.57 121.50 3dd4 h LYS 64 Ca 0.15 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.95 3dd4 h LYS 64 Cb 0.55 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.05 3dd4 h LYS 64 CO -0.51 0.28 0.25 0.93 -3.45 0.00 0.00 179.45 176.95 3dd4 h GLU 65 N 0.44 0.49 -0.77 1.90 5.08 0.17 0.15 114.58 122.03 3dd4 h GLU 65 Ca 0.38 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3dd4 h GLU 65 Cb 0.53 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3dd4 h GLU 65 CO -0.37 0.32 0.50 -0.07 -1.00 0.00 0.00 179.01 178.39 3dd4 h LEU 66 N 0.50 0.90 -0.04 1.33 3.38 0.12 0.43 115.31 121.93 3dd4 h LEU 66 Ca 0.18 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3dd4 h LEU 66 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3dd4 h LEU 66 CO -0.10 0.67 -0.02 -0.61 0.09 0.00 0.00 178.44 178.47 3dd4 h GLN 67 N 1.05 -0.01 0.90 1.13 4.15 0.51 1.35 115.11 124.19 3dd4 h GLN 67 Ca 0.28 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 3dd4 h GLN 67 Cb -0.09 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.61 3dd4 h GLN 67 CO -0.06 -0.01 -0.43 0.82 -1.93 0.00 0.00 178.83 177.22 3dd4 h ILE 68 N -0.01 0.08 -0.95 2.39 2.04 -0.28 1.00 117.51 121.78 3dd4 h ILE 68 Ca 0.02 -0.05 0.24 0.00 1.00 0.00 0.00 64.86 66.07 3dd4 h ILE 68 Cb 0.05 0.09 -0.13 0.00 -0.74 0.00 0.00 36.82 36.09 3dd4 h ILE 68 CO -0.05 0.00 0.49 -0.07 0.00 0.00 0.00 178.15 178.52 3dd4 h LEU 69 N -1.25 0.49 0.60 1.44 3.38 0.07 0.99 115.31 121.03 3dd4 h LEU 69 Ca -0.12 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3dd4 h LEU 69 Cb 0.93 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.77 3dd4 h LEU 69 CO 0.20 0.03 -0.29 0.22 0.09 0.00 0.00 178.44 178.70 3dd4 h TYR 70 N 0.47 -0.75 -0.23 1.13 5.03 0.24 -1.64 116.97 121.22 3dd4 h TYR 70 Ca 0.61 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.97 3dd4 h TYR 70 Cb 1.17 0.25 -0.01 0.00 1.55 0.00 0.00 36.73 39.69 3dd4 h TYR 70 CO -0.07 -0.47 0.33 -0.09 -1.32 0.00 0.00 178.16 176.54 3dd4 h ARG 71 N -0.85 0.00 0.00 1.82 9.65 -0.22 -0.89 114.38 123.89 3dd4 h ARG 71 Ca -0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3dd4 h ARG 71 Cb 0.62 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 3dd4 h ARG 71 CO 0.14 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.32 3dd4 n GLY 72 N -1.38 -1.02 0.29 2.80 0.00 0.29 -3.01 105.19 103.15 3dd4 n GLY 72 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.22 3dd4 n GLY 72 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dd4 n PHE 73 N -0.48 0.67 0.00 1.61 3.72 -0.66 -3.11 117.46 119.21 3dd4 n PHE 73 Ca 0.00 1.03 0.00 0.00 -0.05 0.00 0.00 57.45 58.43 3dd4 n PHE 73 Cb 0.00 -1.22 0.00 0.00 -0.94 0.00 0.00 39.48 37.32 3dd4 n PHE 73 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3dd4 n LYS 74 N -5.17 0.00 -0.96 -1.08 4.81 -0.35 -2.35 118.16 113.05 3dd4 n LYS 74 Ca 0.23 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.30 3dd4 n LYS 74 Cb 0.78 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.78 3dd4 n LYS 74 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3dd4 n ASN 75 N 0.00 2.80 0.00 3.14 0.23 -1.17 -2.29 115.26 117.98 3dd4 n ASN 75 Ca 0.00 -2.56 0.00 0.00 -0.53 0.00 0.00 54.58 51.49 3dd4 n ASN 75 Cb 0.00 -1.04 0.00 0.00 -2.08 0.00 0.00 39.78 36.66 3dd4 n ASN 75 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 3dd4 n GLU 76 N 6.41 0.00 0.00 -3.83 4.07 -1.18 -4.89 120.64 121.21 3dd4 n GLU 76 Ca 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 3dd4 n GLU 76 Cb 0.33 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.71 3dd4 n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dd4 n PRO 78 N 0.00 1.47 0.00 0.00 -0.04 -1.15 -4.71 135.00 130.57 3dd4 n PRO 78 Ca 0.00 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 3dd4 n PRO 78 Cb 0.00 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3dd4 n PRO 78 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3dd4 n SER 79 N 0.04 0.00 0.00 3.54 3.41 -1.26 -4.21 113.62 115.14 3dd4 n SER 79 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3dd4 n SER 79 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3dd4 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dd4 n GLY 80 N 1.50 4.06 0.00 5.00 0.00 -1.26 -3.82 105.19 110.67 3dd4 n GLY 80 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3dd4 n GLY 80 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3dd4 n VAL 81 N -1.03 0.00 -1.62 1.61 3.14 -1.26 -4.87 118.33 114.30 3dd4 n VAL 81 Ca 0.00 0.00 -0.53 0.00 -2.96 0.00 0.00 64.34 60.85 3dd4 n VAL 81 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 3dd4 n VAL 81 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3dd4 n VAL 82 N 0.00 0.06 -3.71 1.55 0.31 -1.17 -4.91 118.33 110.46 3dd4 n VAL 82 Ca 0.00 -0.01 -0.37 0.00 -0.01 0.00 0.00 64.34 63.94 3dd4 n VAL 82 Cb 0.00 -0.93 -0.12 0.00 -0.91 0.00 0.00 33.84 31.88 3dd4 n VAL 82 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dd4 s ASN 83 N 1.08 5.32 0.33 4.52 2.20 -1.26 -4.42 114.94 122.70 3dd4 s ASN 83 Ca 0.87 -0.41 0.12 0.00 -0.94 0.00 0.00 52.86 52.50 3dd4 s ASN 83 Cb -0.96 -1.95 0.68 0.00 -2.00 0.00 0.00 41.25 37.02 3dd4 s ASN 83 CO 0.50 -0.12 1.27 1.21 -2.94 0.00 0.00 177.10 177.02 3dd4 n GLU 84 N 4.94 0.09 0.09 3.55 2.13 -1.26 -2.48 120.64 127.69 3dd4 n GLU 84 Ca -0.15 0.57 -0.06 0.00 0.66 0.00 0.00 57.16 58.18 3dd4 n GLU 84 Cb 0.50 -2.11 -0.04 0.00 0.27 0.00 0.00 31.44 30.06 3dd4 n GLU 84 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3dd4 h GLU 85 N 0.00 -0.30 -0.83 5.31 4.57 -2.00 -2.26 114.58 119.08 3dd4 h GLU 85 Ca 0.00 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3dd4 h GLU 85 Cb 0.66 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.28 3dd4 h GLU 85 CO 0.00 -0.12 0.54 1.15 -1.18 0.00 0.00 179.01 179.40 3dd4 h THR 86 N -1.06 1.22 -0.28 0.32 2.02 -1.93 -2.35 112.91 110.85 3dd4 h THR 86 Ca -0.03 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.77 3dd4 h THR 86 Cb 0.32 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 3dd4 h THR 86 CO 0.05 0.21 0.07 0.15 0.37 0.00 0.00 175.52 176.37 3dd4 h PHE 87 N 1.13 0.11 -0.16 3.16 3.57 -1.61 -1.48 116.94 121.67 3dd4 h PHE 87 Ca 0.30 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 3dd4 h PHE 87 Cb -0.11 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3dd4 h PHE 87 CO 0.00 0.04 0.06 0.87 -2.23 0.00 0.00 178.31 177.05 3dd4 h LYS 88 N 0.18 0.21 -0.16 1.11 1.57 -0.89 -0.53 116.57 118.06 3dd4 h LYS 88 Ca 0.13 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3dd4 h LYS 88 Cb 0.13 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3dd4 h LYS 88 CO -0.16 0.18 0.09 1.49 -0.57 0.00 0.00 179.45 180.47 3dd4 h GLU 89 N 0.21 0.22 -0.02 3.15 4.81 -0.89 -2.49 114.58 119.58 3dd4 h GLU 89 Ca 0.06 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3dd4 h GLU 89 Cb 0.05 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3dd4 h GLU 89 CO -0.01 0.22 0.00 0.82 -0.73 0.00 0.00 179.01 179.32 3dd4 h ILE 90 N 0.16 1.24 -0.87 2.32 2.04 -0.95 -2.92 117.51 118.53 3dd4 h ILE 90 Ca 0.06 -0.73 0.23 0.00 1.00 0.00 0.00 64.86 65.42 3dd4 h ILE 90 Cb 0.07 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 3dd4 h ILE 90 CO -0.01 0.19 0.60 0.22 0.00 0.00 0.00 178.15 179.16 3dd4 h TYR 91 N -0.25 0.24 0.00 1.37 3.20 -1.04 -1.04 116.97 119.45 3dd4 h TYR 91 Ca 0.01 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.68 3dd4 h TYR 91 Cb 0.31 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 3dd4 h TYR 91 CO 0.03 0.06 -0.98 0.77 -1.64 0.00 0.00 178.16 176.40 3dd4 h SER 92 N 0.18 0.00 0.94 -2.11 0.02 -1.28 0.14 113.55 111.45 3dd4 h SER 92 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3dd4 h SER 92 Cb 1.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.96 3dd4 h SER 92 CO -0.09 0.95 0.00 -0.61 -1.14 0.00 0.00 176.83 175.94 3dd4 h GLN 93 N 0.00 0.00 0.00 3.45 4.15 -1.01 -2.95 115.11 118.75 3dd4 h GLN 93 Ca -0.02 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 3dd4 h GLN 93 Cb 1.74 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.41 3dd4 h GLN 93 CO 0.12 0.00 -1.30 1.19 -1.93 0.00 0.00 178.83 176.91 3dd4 n PHE 94 N -2.31 0.00 -3.39 3.99 3.01 -1.13 -4.83 117.46 112.80 3dd4 n PHE 94 Ca 0.03 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.21 3dd4 n PHE 94 Cb 0.29 -0.20 -0.07 0.00 -0.01 0.00 0.00 39.48 39.48 3dd4 n PHE 94 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3dd4 n PHE 95 N -2.67 3.55 0.00 1.38 3.72 0.50 -5.00 117.46 118.93 3dd4 n PHE 95 Ca -0.09 -4.03 0.00 0.00 -0.05 0.00 0.00 57.45 53.27 3dd4 n PHE 95 Cb 0.60 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 3dd4 n PHE 95 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3dd4 n PRO 96 N 0.89 0.00 0.00 -1.08 -0.04 -1.11 -4.41 135.00 129.24 3dd4 n PRO 96 Ca 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3dd4 n PRO 96 Cb 0.40 -0.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 3dd4 n PRO 96 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3dd4 n GLN 97 N 0.00 0.00 -4.27 0.54 -0.06 -1.26 -4.17 117.38 108.15 3dd4 n GLN 97 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.73 3dd4 n GLN 97 Cb 0.00 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.09 3dd4 n GLN 97 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 3dd4 s GLY 98 N -0.82 1.73 -0.43 1.69 0.00 -1.26 -4.62 107.32 103.62 3dd4 s GLY 98 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.29 3dd4 s GLY 98 CO 0.00 -1.44 0.00 1.34 0.00 0.00 0.00 173.10 173.00 3dd4 n ASP 99 N 0.11 -2.33 -0.61 1.64 2.03 -1.26 -4.75 116.55 111.38 3dd4 n ASP 99 Ca -0.11 0.10 0.46 0.00 0.52 0.00 0.00 54.79 55.76 3dd4 n ASP 99 Cb 0.55 -1.97 0.71 0.00 -0.72 0.00 0.00 41.12 39.68 3dd4 n ASP 99 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3dd4 n SER 100 N 0.74 0.00 0.12 1.67 3.41 -1.26 -0.11 113.62 118.19 3dd4 n SER 100 Ca -0.04 0.87 -0.01 0.00 -0.26 0.00 0.00 58.87 59.43 3dd4 n SER 100 Cb 0.24 -0.43 0.24 0.00 -0.26 0.00 0.00 64.21 64.00 3dd4 n SER 100 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3dd4 h THR 101 N 0.00 1.32 0.02 6.66 2.02 -1.89 -2.54 112.91 118.51 3dd4 h THR 101 Ca 0.81 -1.58 -0.15 0.00 0.77 0.00 0.00 66.41 66.26 3dd4 h THR 101 Cb 3.33 1.76 0.01 0.00 -1.74 0.00 0.00 68.15 71.51 3dd4 h THR 101 CO -0.01 0.46 -0.60 0.74 0.37 0.00 0.00 175.52 176.49 3dd4 h THR 102 N 0.14 1.45 0.20 3.16 2.02 -0.89 -2.92 112.91 116.07 3dd4 h THR 102 Ca 0.01 -2.14 0.01 0.00 0.77 0.00 0.00 66.41 65.06 3dd4 h THR 102 Cb 0.84 2.71 -0.04 0.00 -1.74 0.00 0.00 68.15 69.92 3dd4 h THR 102 CO 0.07 0.62 -0.40 1.88 0.37 0.00 0.00 175.52 178.05 3dd4 h TYR 103 N -0.18 -1.11 -0.73 3.16 0.05 -1.56 -0.13 116.97 116.47 3dd4 h TYR 103 Ca -0.08 0.02 0.14 0.00 0.05 0.00 0.00 58.73 58.86 3dd4 h TYR 103 Cb 1.33 0.46 -0.14 0.00 1.01 0.00 0.00 36.73 39.39 3dd4 h TYR 103 CO 0.16 -0.51 -0.22 0.00 -1.05 0.00 0.00 178.16 176.53 3dd4 h ALA 104 N -0.21 0.40 -0.05 3.88 0.00 -1.55 0.51 119.26 122.24 3dd4 h ALA 104 Ca 0.01 0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3dd4 h ALA 104 Cb 0.68 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3dd4 h ALA 104 CO -0.19 -0.46 -0.34 1.25 0.00 0.00 0.00 179.25 179.52 3dd4 h HIS 105 N -0.03 -1.00 -0.87 0.00 -0.00 -1.03 0.99 115.15 113.23 3dd4 h HIS 105 Ca 0.34 0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.85 3dd4 h HIS 105 Cb 0.55 0.44 -0.08 0.00 -0.00 0.00 0.00 27.41 28.32 3dd4 h HIS 105 CO -0.61 -0.35 0.50 0.35 -0.00 0.00 0.00 177.93 177.82 3dd4 h PHE 106 N -0.38 0.91 0.00 5.26 3.57 0.52 0.42 116.94 127.23 3dd4 h PHE 106 Ca 0.01 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 3dd4 h PHE 106 Cb 0.43 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3dd4 h PHE 106 CO -0.50 0.35 -0.41 1.25 -2.23 0.00 0.00 178.31 176.77 3dd4 h LEU 107 N 0.81 0.00 0.03 0.59 5.85 0.56 -2.94 115.31 120.21 3dd4 h LEU 107 Ca 0.43 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.08 3dd4 h LEU 107 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3dd4 h LEU 107 CO -0.27 0.41 -0.32 0.15 -0.34 0.00 0.00 178.44 178.08 3dd4 h PHE 108 N 0.00 0.11 0.00 1.25 3.57 0.25 -3.31 116.94 118.81 3dd4 h PHE 108 Ca -0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3dd4 h PHE 108 Cb 0.91 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3dd4 h PHE 108 CO 0.00 1.12 0.00 -0.97 -2.23 0.00 0.00 178.31 176.23 3dd4 h ASN 109 N -0.86 0.00 -0.08 0.41 -1.24 -0.27 -2.78 115.58 110.77 3dd4 h ASN 109 Ca -0.07 0.00 0.02 0.00 0.71 0.00 0.00 56.30 56.96 3dd4 h ASN 109 Cb 1.17 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.22 3dd4 h ASN 109 CO 0.01 0.00 0.06 0.00 -1.29 0.00 0.00 177.43 176.21 3dd4 h ALA 110 N 2.05 1.96 0.00 1.57 0.00 -1.61 -0.60 119.26 122.62 3dd4 h ALA 110 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dd4 h ALA 110 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3dd4 h ALA 110 CO 0.00 -0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.34 3dd4 n PHE 111 N -4.34 0.00 -3.29 0.00 3.01 -1.05 -4.37 117.46 107.42 3dd4 n PHE 111 Ca -0.01 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 57.99 3dd4 n PHE 111 Cb 0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.63 3dd4 n PHE 111 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3dd4 s ASP 112 N -1.10 7.13 0.29 4.37 3.68 -0.23 -4.70 116.67 126.09 3dd4 s ASP 112 Ca 0.01 -3.25 0.25 0.00 2.13 0.00 0.00 52.55 51.70 3dd4 s ASP 112 Cb 0.01 -2.23 0.67 0.00 -1.45 0.00 0.00 42.92 39.91 3dd4 s ASP 112 CO 0.01 -0.43 1.72 0.71 0.13 0.00 0.00 175.17 177.32 3dd4 h THR 113 N 4.13 0.00 -0.12 1.71 1.35 -1.85 -3.20 112.91 114.92 3dd4 h THR 113 Ca 0.17 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3dd4 h THR 113 Cb 0.92 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3dd4 h THR 113 CO 0.96 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.70 3dd4 n ASP 114 N -2.53 2.27 -1.93 5.36 8.00 -1.26 -4.96 116.55 121.50 3dd4 n ASP 114 Ca 0.05 -1.64 -0.21 0.00 0.71 0.00 0.00 54.79 53.70 3dd4 n ASP 114 Cb 0.46 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.43 3dd4 n ASP 114 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3dd4 n HIS 115 N 0.62 -0.42 0.00 1.24 8.25 -1.21 -4.81 115.22 118.89 3dd4 n HIS 115 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3dd4 n HIS 115 Cb 0.33 -3.67 0.00 0.00 1.12 0.00 0.00 29.99 27.77 3dd4 n HIS 115 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3dd4 n ASN 116 N -1.63 0.00 0.00 0.41 3.02 -1.26 -4.79 115.26 111.01 3dd4 n ASN 116 Ca -0.22 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3dd4 n ASN 116 Cb 0.68 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 3dd4 n ASN 116 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dd4 n GLY 117 N -1.20 2.74 0.00 7.41 0.00 -1.26 -5.02 105.19 107.86 3dd4 n GLY 117 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3dd4 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dd4 n ALA 118 N 0.00 0.00 -3.37 4.61 0.00 -1.26 -5.10 120.51 115.38 3dd4 n ALA 118 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3dd4 n ALA 118 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3dd4 n ALA 118 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dd4 s VAL 119 N 4.05 -0.02 0.26 0.00 1.01 -1.26 -4.53 120.40 119.91 3dd4 s VAL 119 Ca 0.00 0.07 0.12 0.00 0.00 0.00 0.00 61.98 62.16 3dd4 s VAL 119 Cb 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 3dd4 s VAL 119 CO 0.00 0.03 -0.21 -0.44 0.00 0.00 0.00 175.10 174.48 3dd4 s SER 120 N 0.60 3.52 0.47 3.32 0.01 -1.26 -3.06 113.70 117.30 3dd4 s SER 120 Ca -0.04 -0.99 0.23 0.00 1.31 0.00 0.00 55.95 56.46 3dd4 s SER 120 Cb -0.05 -0.28 1.25 0.00 0.21 0.00 0.00 66.02 67.14 3dd4 s SER 120 CO -0.03 0.05 1.88 -0.26 0.41 0.00 0.00 173.24 175.29 3dd4 h PHE 121 N 2.52 0.30 -0.83 2.43 0.04 -1.87 0.45 116.94 119.98 3dd4 h PHE 121 Ca -0.42 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.35 3dd4 h PHE 121 Cb 1.25 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 39.26 3dd4 h PHE 121 CO 0.78 0.08 0.46 0.93 -0.60 0.00 0.00 178.31 179.96 3dd4 h GLU 122 N 0.23 1.16 -0.12 1.51 5.08 -1.73 0.15 114.58 120.85 3dd4 h GLU 122 Ca 0.43 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 3dd4 h GLU 122 Cb 1.33 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3dd4 h GLU 122 CO -0.10 0.84 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.24 3dd4 h ASP 123 N 1.16 0.16 0.01 1.42 3.32 -0.38 0.26 116.42 122.36 3dd4 h ASP 123 Ca 0.29 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 3dd4 h ASP 123 Cb 0.02 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3dd4 h ASP 123 CO -0.05 0.26 -0.01 -0.26 -1.72 0.00 0.00 179.24 177.47 3dd4 h PHE 124 N 0.17 -0.02 -0.50 4.55 0.05 -1.16 0.94 116.94 120.97 3dd4 h PHE 124 Ca 0.04 -0.00 0.15 0.00 3.82 0.00 0.00 57.97 61.97 3dd4 h PHE 124 Cb 0.25 0.01 -0.02 0.00 2.00 0.00 0.00 35.95 38.18 3dd4 h PHE 124 CO 0.00 0.77 0.48 0.82 -0.18 0.00 0.00 178.31 180.21 3dd4 h ILE 125 N -0.88 0.42 0.00 -0.55 2.04 -0.23 1.02 117.51 119.33 3dd4 h ILE 125 Ca -0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 3dd4 h ILE 125 Cb 0.79 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3dd4 h ILE 125 CO 0.00 0.00 -0.68 0.50 0.00 0.00 0.00 178.15 177.97 3dd4 h LYS 126 N 0.00 0.00 -0.35 2.37 3.64 -0.49 -3.04 116.57 118.70 3dd4 h LYS 126 Ca 0.24 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 3dd4 h LYS 126 Cb 1.21 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.94 3dd4 h LYS 126 CO -0.00 0.48 -0.31 0.78 -2.27 0.00 0.00 179.45 178.13 3dd4 h GLY 127 N -1.00 -0.23 -0.13 5.01 0.00 0.27 0.99 103.07 107.97 3dd4 h GLY 127 Ca -0.13 0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.65 3dd4 h GLY 127 CO -0.08 -0.21 -0.37 -2.00 0.00 0.00 0.00 176.54 173.88 3dd4 h LEU 128 N -0.26 -1.21 -1.93 3.11 5.85 0.87 0.31 115.31 122.04 3dd4 h LEU 128 Ca 0.16 0.19 0.15 0.00 0.84 0.00 0.00 57.88 59.22 3dd4 h LEU 128 Cb 0.52 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3dd4 h LEU 128 CO -0.50 -0.36 0.39 -1.28 -0.34 0.00 0.00 178.44 176.35 3dd4 h SER 129 N -0.33 0.06 -0.05 1.25 0.87 -0.90 -0.85 113.55 113.59 3dd4 h SER 129 Ca 0.14 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3dd4 h SER 129 Cb 0.57 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3dd4 h SER 129 CO -0.50 0.03 -0.00 0.40 -0.53 0.00 0.00 176.83 176.23 3dd4 h ILE 130 N 0.07 1.26 -0.27 2.23 2.04 0.13 -0.57 117.51 122.40 3dd4 h ILE 130 Ca 0.26 -0.78 -0.12 0.00 1.00 0.00 0.00 64.86 65.21 3dd4 h ILE 130 Cb 0.94 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 3dd4 h ILE 130 CO -0.02 0.21 -0.34 -0.07 0.00 0.00 0.00 178.15 177.93 3dd4 h LEU 131 N -0.21 0.60 -1.01 1.44 3.38 -1.15 0.35 115.31 118.72 3dd4 h LEU 131 Ca 0.01 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 3dd4 h LEU 131 Cb 0.34 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3dd4 h LEU 131 CO 0.00 0.90 -0.45 0.25 0.09 0.00 0.00 178.44 179.23 3dd4 h LEU 132 N 0.49 0.00 0.00 1.67 5.85 -1.06 -3.41 115.31 118.84 3dd4 h LEU 132 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3dd4 h LEU 132 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3dd4 h LEU 132 CO 0.07 0.45 0.00 -2.11 -0.34 0.00 0.00 178.44 176.51 3dd4 n ARG 133 N -3.80 0.00 -0.27 1.25 1.85 -0.23 -5.03 116.66 110.43 3dd4 n ARG 133 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.76 3dd4 n ARG 133 Cb 0.51 -0.04 0.06 0.00 -1.05 0.00 0.00 32.46 31.94 3dd4 n ARG 133 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dd4 n GLY 134 N 0.00 -2.50 3.89 2.89 0.00 0.12 -5.01 105.19 104.58 3dd4 n GLY 134 Ca 0.00 -1.46 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 3dd4 n GLY 134 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dd4 s THR 135 N -1.51 4.21 0.26 2.61 -1.32 -1.26 -4.92 115.64 113.71 3dd4 s THR 135 Ca 0.18 -1.24 -0.09 0.00 -1.21 0.00 0.00 61.69 59.32 3dd4 s THR 135 Cb -0.02 -3.41 0.39 0.00 -1.51 0.00 0.00 72.50 67.96 3dd4 s THR 135 CO 0.14 -0.25 1.58 0.58 -2.21 0.00 0.00 174.62 174.46 3dd4 h VAL 136 N 1.24 0.11 -0.34 5.08 2.07 -1.94 0.12 116.25 122.58 3dd4 h VAL 136 Ca -0.47 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.08 3dd4 h VAL 136 Cb 1.25 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3dd4 h VAL 136 CO 0.58 0.00 -0.37 1.56 0.02 0.00 0.00 177.57 179.37 3dd4 h GLN 137 N 0.00 -0.20 -0.22 1.57 1.08 -1.98 0.70 115.11 116.06 3dd4 h GLN 137 Ca 0.43 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.71 3dd4 h GLN 137 Cb 0.66 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 3dd4 h GLN 137 CO -0.91 -0.13 0.17 0.93 -0.95 0.00 0.00 178.83 177.94 3dd4 h GLU 138 N -0.20 0.00 -0.01 1.46 5.08 -1.25 0.28 114.58 119.93 3dd4 h GLU 138 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3dd4 h GLU 138 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3dd4 h GLU 138 CO -0.43 0.00 -0.05 0.87 -1.00 0.00 0.00 179.01 178.40 3dd4 h LYS 139 N 0.00 0.05 -0.94 2.33 1.57 0.13 -1.88 116.57 117.83 3dd4 h LYS 139 Ca 0.11 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3dd4 h LYS 139 Cb 0.45 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 3dd4 h LYS 139 CO -0.00 0.71 0.60 -0.07 -0.57 0.00 0.00 179.45 180.12 3dd4 h LEU 140 N -0.59 0.98 -0.95 2.94 3.38 0.14 0.11 115.31 121.32 3dd4 h LEU 140 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3dd4 h LEU 140 Cb 0.71 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 3dd4 h LEU 140 CO 0.01 0.65 0.62 0.78 0.09 0.00 0.00 178.44 180.59 3dd4 h ASN 141 N 1.14 1.05 -0.07 -0.43 -0.26 -0.44 0.57 115.58 117.13 3dd4 h ASN 141 Ca 0.39 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 56.10 3dd4 h ASN 141 Cb 0.09 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.10 3dd4 h ASN 141 CO -0.15 0.73 -0.02 -0.25 -1.06 0.00 0.00 177.43 176.69 3dd4 h TRP 142 N 1.23 0.16 -0.98 1.19 7.01 -0.33 -2.97 115.95 121.26 3dd4 h TRP 142 Ca 0.37 -0.04 0.14 0.00 2.11 0.00 0.00 58.89 61.48 3dd4 h TRP 142 Cb -0.05 -0.04 -0.09 0.00 -2.10 0.00 0.00 29.16 26.88 3dd4 h TRP 142 CO -0.01 0.48 0.60 0.00 -2.79 0.00 0.00 178.44 176.72 3dd4 h ALA 143 N 0.66 1.53 0.01 2.65 0.00 -0.34 -2.07 119.26 121.70 3dd4 h ALA 143 Ca 0.02 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3dd4 h ALA 143 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3dd4 h ALA 143 CO 0.01 0.11 -0.08 0.35 0.00 0.00 0.00 179.25 179.63 3dd4 h PHE 144 N 0.88 -0.21 0.00 0.00 3.57 -0.77 -1.64 116.94 118.77 3dd4 h PHE 144 Ca 0.52 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.02 3dd4 h PHE 144 Cb 0.63 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.46 3dd4 h PHE 144 CO -0.01 -0.13 0.04 -0.97 -2.23 0.00 0.00 178.31 175.01 3dd4 h ASN 145 N -0.15 0.00 -0.03 0.41 -0.73 -1.23 0.22 115.58 114.08 3dd4 h ASN 145 Ca 0.03 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 3dd4 h ASN 145 Cb 0.19 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.78 3dd4 h ASN 145 CO -0.08 0.00 -0.04 0.25 -0.37 0.00 0.00 177.43 177.19 3dd4 h LEU 146 N 0.00 0.08 -0.61 0.34 5.85 -1.12 -3.24 115.31 116.61 3dd4 h LEU 146 Ca 0.00 -0.54 -0.15 0.00 0.84 0.00 0.00 57.88 58.03 3dd4 h LEU 146 Cb 0.08 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3dd4 h LEU 146 CO 0.00 0.61 -0.51 1.88 -0.34 0.00 0.00 178.44 180.08 3dd4 h TYR 147 N -0.44 0.60 0.00 1.25 0.99 -0.78 -3.31 116.97 115.28 3dd4 h TYR 147 Ca 0.00 -0.20 -0.29 0.00 2.00 0.00 0.00 58.73 60.24 3dd4 h TYR 147 Cb 0.59 -0.12 -0.02 0.00 1.00 0.00 0.00 36.73 38.18 3dd4 h TYR 147 CO 0.11 0.90 1.32 -3.47 -0.00 0.00 0.00 178.16 177.02 3dd4 n ASP 148 N -3.97 4.90 0.00 3.88 2.03 0.55 -4.58 116.55 119.36 3dd4 n ASP 148 Ca -0.03 -2.29 0.00 0.00 0.52 0.00 0.00 54.79 52.99 3dd4 n ASP 148 Cb 0.57 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 3dd4 n ASP 148 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3dd4 n ILE 149 N 3.26 0.00 0.05 5.18 5.41 -1.25 0.30 119.36 132.31 3dd4 n ILE 149 Ca 0.42 0.93 0.21 0.00 1.00 0.00 0.00 62.75 65.32 3dd4 n ILE 149 Cb 0.43 -1.28 0.73 0.00 -0.71 0.00 0.00 39.64 38.81 3dd4 n ILE 149 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3dd4 h ASN 150 N 0.00 0.00 -0.54 4.38 -1.07 -1.93 -3.46 115.58 112.97 3dd4 h ASN 150 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.29 3dd4 h ASN 150 Cb 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3dd4 h ASN 150 CO 0.00 0.00 -0.10 0.29 0.07 0.00 0.00 177.43 177.69 3dd4 n LYS 151 N -3.81 -0.31 0.02 4.14 4.76 0.15 -4.94 118.16 118.17 3dd4 n LYS 151 Ca 0.09 0.20 0.14 0.00 -2.87 0.00 0.00 58.31 55.87 3dd4 n LYS 151 Cb 0.68 -3.91 0.57 0.00 -1.84 0.00 0.00 35.03 30.53 3dd4 n LYS 151 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3dd4 n ASP 152 N 1.27 0.15 0.00 4.39 5.68 -1.26 -4.89 116.55 121.89 3dd4 n ASP 152 Ca -0.05 0.51 0.00 0.00 -0.50 0.00 0.00 54.79 54.76 3dd4 n ASP 152 Cb 0.52 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3dd4 n ASP 152 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dd4 n GLY 153 N 1.42 1.01 3.40 6.12 0.00 -1.26 -5.08 105.19 110.80 3dd4 n GLY 153 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3dd4 n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dd4 s TYR 154 N -2.00 1.70 -0.11 1.61 2.02 -1.26 -4.37 117.35 114.94 3dd4 s TYR 154 Ca 0.00 -1.28 -0.02 0.00 -0.37 0.00 0.00 57.07 55.40 3dd4 s TYR 154 Cb 0.00 -1.00 0.04 0.00 -0.40 0.00 0.00 41.96 40.60 3dd4 s TYR 154 CO 0.00 -0.38 0.02 0.42 -1.57 0.00 0.00 175.55 174.04 3dd4 s ILE 155 N -3.46 0.34 -0.11 2.71 1.01 -0.81 -4.42 121.20 116.46 3dd4 s ILE 155 Ca 0.33 -0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.80 3dd4 s ILE 155 Cb 0.05 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.83 3dd4 s ILE 155 CO 0.16 0.09 0.28 0.42 0.00 0.00 0.00 174.94 175.89 3dd4 s THR 156 N 1.97 5.29 0.58 2.92 -4.23 -1.26 -2.47 115.64 118.44 3dd4 s THR 156 Ca 0.03 0.53 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 3dd4 s THR 156 Cb -0.14 -3.59 0.03 0.00 1.34 0.00 0.00 72.50 70.14 3dd4 s THR 156 CO -0.06 0.50 1.04 0.50 -0.54 0.00 0.00 174.62 176.05 3dd4 h LYS 157 N 5.74 0.00 0.16 3.99 3.64 -1.99 1.52 116.57 129.64 3dd4 h LYS 157 Ca -0.47 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.55 3dd4 h LYS 157 Cb 1.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3dd4 h LYS 157 CO 0.68 0.00 -1.82 1.49 -2.27 0.00 0.00 179.45 177.52 3dd4 h GLU 158 N 0.00 0.34 -0.31 1.90 4.57 -1.93 -2.58 114.58 116.57 3dd4 h GLU 158 Ca 0.00 -0.58 -0.01 0.00 -1.18 0.00 0.00 59.36 57.58 3dd4 h GLU 158 Cb 1.77 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 30.56 3dd4 h GLU 158 CO 0.00 1.28 0.14 0.93 -1.18 0.00 0.00 179.01 180.18 3dd4 h GLU 159 N 0.06 0.43 0.00 1.92 5.08 0.18 0.31 114.58 122.57 3dd4 h GLU 159 Ca -0.37 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 57.78 3dd4 h GLU 159 Cb 2.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.19 3dd4 h GLU 159 CO 0.14 0.35 -0.79 1.98 -1.00 0.00 0.00 179.01 179.68 3dd4 h MET 160 N 0.44 0.00 0.00 2.33 4.05 -1.44 -2.87 114.93 117.43 3dd4 h MET 160 Ca 0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3dd4 h MET 160 Cb 0.07 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 3dd4 h MET 160 CO -0.01 0.79 -0.13 1.25 0.23 0.00 0.00 176.91 179.04 3dd4 h LEU 161 N 0.00 0.00 0.05 3.39 6.46 -0.69 -2.36 115.31 122.16 3dd4 h LEU 161 Ca -0.01 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3dd4 h LEU 161 Cb 1.56 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.49 3dd4 h LEU 161 CO 0.10 0.00 -0.03 0.44 -0.62 0.00 0.00 178.44 178.34 3dd4 h ASP 162 N 0.00 -0.06 -0.22 1.25 3.32 -0.40 -3.01 116.42 117.30 3dd4 h ASP 162 Ca 0.00 -0.58 0.06 0.00 0.02 0.00 0.00 57.03 56.53 3dd4 h ASP 162 Cb 0.96 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 3dd4 h ASP 162 CO 0.00 0.66 -0.24 0.40 -1.72 0.00 0.00 179.24 178.34 3dd4 h ILE 163 N -0.90 0.40 -0.88 0.35 1.08 -1.55 0.28 117.51 116.29 3dd4 h ILE 163 Ca -0.01 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.68 3dd4 h ILE 163 Cb 0.63 0.40 -0.16 0.00 -3.07 0.00 0.00 36.82 34.62 3dd4 h ILE 163 CO 0.01 0.00 0.03 -0.03 -0.69 0.00 0.00 178.15 177.47 3dd4 h MET 164 N -0.26 0.07 -0.14 2.37 4.05 -1.50 0.39 114.93 119.91 3dd4 h MET 164 Ca 0.13 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 3dd4 h MET 164 Cb 0.46 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.24 3dd4 h MET 164 CO -0.37 0.05 -0.08 -0.22 0.23 0.00 0.00 176.91 176.52 3dd4 h LYS 165 N 0.08 0.30 -0.43 0.39 3.64 -0.86 -2.10 116.57 117.58 3dd4 h LYS 165 Ca 0.51 -0.14 0.13 0.00 -1.27 0.00 0.00 60.65 59.88 3dd4 h LYS 165 Cb 0.98 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3dd4 h LYS 165 CO -0.78 0.64 0.74 0.00 -2.27 0.00 0.00 179.45 177.78 3dd4 h ALA 166 N 0.65 2.18 0.00 5.00 0.00 0.31 -1.47 119.26 125.94 3dd4 h ALA 166 Ca 0.03 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.55 3dd4 h ALA 166 Cb 0.56 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 3dd4 h ALA 166 CO 0.02 -0.96 -2.04 -0.89 0.00 0.00 0.00 179.25 175.38 3dd4 n ILE 167 N -3.19 1.54 -0.17 0.00 5.41 -0.39 -3.22 119.36 119.34 3dd4 n ILE 167 Ca 0.09 -0.26 0.19 0.00 1.00 0.00 0.00 62.75 63.77 3dd4 n ILE 167 Cb 0.90 -1.93 0.56 0.00 -0.71 0.00 0.00 39.64 38.46 3dd4 n ILE 167 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3dd4 h TYR 168 N -0.95 0.38 -0.02 1.39 -1.99 -0.65 0.86 116.97 115.99 3dd4 h TYR 168 Ca -0.56 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.11 3dd4 h TYR 168 Cb 1.51 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 40.13 3dd4 h TYR 168 CO -0.01 0.13 -0.27 -0.44 -0.00 0.00 0.00 178.16 177.57 3dd4 h ASP 169 N 0.31 0.27 -0.16 3.88 3.32 -1.49 -3.03 116.42 119.52 3dd4 h ASP 169 Ca 0.39 -0.72 0.04 0.00 0.02 0.00 0.00 57.03 56.76 3dd4 h ASP 169 Cb 1.06 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 3dd4 h ASP 169 CO -0.11 0.96 -0.45 -0.03 -1.72 0.00 0.00 179.24 177.89 3dd4 h MET 170 N -0.39 -0.47 0.00 3.56 4.05 -0.88 -3.38 114.93 117.42 3dd4 h MET 170 Ca -0.03 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3dd4 h MET 170 Cb 0.98 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 3dd4 h MET 170 CO 0.05 -0.32 0.00 -1.33 0.23 0.00 0.00 176.91 175.55 3dd4 n MET 171 N -5.43 0.00 -0.21 0.39 2.81 -0.16 -4.88 117.12 109.63 3dd4 n MET 171 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 3dd4 n MET 171 Cb 0.36 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.87 3dd4 n MET 171 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dd4 n GLY 172 N 1.65 -0.39 0.00 3.03 0.00 -1.14 -5.04 105.19 103.29 3dd4 n GLY 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dd4 n GLY 172 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dd4 n PRO 184 N 0.00 0.35 0.00 1.61 -0.04 -1.26 -4.88 135.00 130.78 3dd4 n PRO 184 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3dd4 n PRO 184 Cb 0.54 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 3dd4 n PRO 184 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3dd4 n ARG 185 N -0.46 0.00 0.24 0.54 0.63 -1.26 -4.77 116.66 111.58 3dd4 n ARG 185 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 3dd4 n ARG 185 Cb 0.00 0.00 0.55 0.00 0.45 0.00 0.00 32.46 33.46 3dd4 n ARG 185 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 3dd4 h GLN 186 N 0.00 0.00 -0.20 -0.14 3.07 -2.03 -3.04 115.11 112.77 3dd4 h GLN 186 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 3dd4 h GLN 186 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 3dd4 h GLN 186 CO 0.00 0.15 -0.10 0.45 0.09 0.00 0.00 178.83 179.43 3dd4 h HIS 187 N 0.00 0.33 -0.58 0.06 3.86 -2.01 -2.83 115.15 113.98 3dd4 h HIS 187 Ca -0.00 -0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.28 3dd4 h HIS 187 Cb 0.64 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.93 3dd4 h HIS 187 CO 0.00 0.42 0.11 0.28 0.86 0.00 0.00 177.93 179.60 3dd4 h VAL 188 N 0.30 0.64 0.23 2.45 2.07 -1.91 -1.50 116.25 118.53 3dd4 h VAL 188 Ca 0.06 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3dd4 h VAL 188 Cb 0.37 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3dd4 h VAL 188 CO 0.02 0.04 -0.49 -0.33 0.02 0.00 0.00 177.57 176.84 3dd4 h GLU 189 N 0.24 -0.75 -0.47 1.57 3.07 -1.69 0.39 114.58 116.94 3dd4 h GLU 189 Ca 0.30 0.05 0.07 0.00 -0.50 0.00 0.00 59.36 59.28 3dd4 h GLU 189 Cb 0.45 0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 3dd4 h GLU 189 CO -0.40 -0.50 0.32 0.00 -1.40 0.00 0.00 179.01 177.03 3dd4 h THR 190 N -0.78 0.95 -0.02 1.13 1.03 -1.58 0.19 112.91 113.82 3dd4 h THR 190 Ca -0.02 -0.13 -0.19 0.00 -0.01 0.00 0.00 66.41 66.06 3dd4 h THR 190 Cb 0.74 0.55 0.01 0.00 -1.07 0.00 0.00 68.15 68.39 3dd4 h THR 190 CO -0.20 0.07 -0.72 0.15 -0.01 0.00 0.00 175.52 174.81 3dd4 h PHE 191 N 0.36 0.76 -0.48 0.00 3.04 -0.79 -3.09 116.94 116.74 3dd4 h PHE 191 Ca 0.21 -0.40 -0.06 0.00 3.98 0.00 0.00 57.97 61.70 3dd4 h PHE 191 Cb 0.36 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 3dd4 h PHE 191 CO -0.00 1.22 0.05 0.35 -2.02 0.00 0.00 178.31 177.91 3dd4 h PHE 192 N 0.09 0.80 0.00 0.41 3.57 0.40 -1.92 116.94 120.29 3dd4 h PHE 192 Ca -0.08 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 3dd4 h PHE 192 Cb 1.40 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 3dd4 h PHE 192 CO 0.13 0.72 -0.11 1.96 -2.23 0.00 0.00 178.31 178.77 3dd4 h GLN 193 N 0.73 0.00 -0.19 1.11 1.08 -0.66 0.57 115.11 117.75 3dd4 h GLN 193 Ca 0.15 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.20 3dd4 h GLN 193 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3dd4 h GLN 193 CO 0.01 0.11 -0.46 0.87 -0.95 0.00 0.00 178.83 178.41 3dd4 h LYS 194 N 0.00 0.65 0.01 1.46 1.57 -1.27 -3.32 116.57 115.67 3dd4 h LYS 194 Ca -0.00 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.26 3dd4 h LYS 194 Cb 0.31 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.69 3dd4 h LYS 194 CO 0.01 1.06 -0.28 0.52 -0.57 0.00 0.00 179.45 180.19 3dd4 h MET 195 N 0.34 0.17 -5.72 3.15 2.86 -1.15 -3.41 114.93 111.16 3dd4 h MET 195 Ca -0.00 -0.20 -0.34 0.00 -2.06 0.00 0.00 59.70 57.09 3dd4 h MET 195 Cb 1.07 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.74 3dd4 h MET 195 CO 0.10 0.96 0.90 0.34 1.06 0.00 0.00 176.91 180.27 3dd4 s ASP 196 N -6.37 5.31 -0.00 1.22 2.15 0.19 -4.66 116.67 114.51 3dd4 s ASP 196 Ca -0.16 -0.96 -0.03 0.00 0.43 0.00 0.00 52.55 51.83 3dd4 s ASP 196 Cb 0.01 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.04 3dd4 s ASP 196 CO 0.75 -2.63 0.55 0.50 -0.17 0.00 0.00 175.17 174.16 3dd4 h LYS 197 N 10.79 -0.12 0.00 4.34 3.64 -1.80 -3.21 116.57 130.21 3dd4 h LYS 197 Ca 0.14 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3dd4 h LYS 197 Cb 0.99 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3dd4 h LYS 197 CO 1.24 -0.08 0.00 0.27 -2.27 0.00 0.00 179.45 178.61 3dd4 n ASN 198 N -2.58 0.00 -3.32 4.20 2.04 -1.26 -4.82 115.26 109.51 3dd4 n ASN 198 Ca -0.02 0.00 -0.18 0.00 -0.44 0.00 0.00 54.58 53.95 3dd4 n ASN 198 Cb 0.05 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.30 3dd4 n ASN 198 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3dd4 n LYS 199 N -0.50 -1.06 0.00 -3.83 5.02 -1.21 -4.89 118.16 111.68 3dd4 n LYS 199 Ca 0.00 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 3dd4 n LYS 199 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3dd4 n LYS 199 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3dd4 n ASP 200 N -1.47 1.25 0.00 4.39 5.68 -1.26 -5.03 116.55 120.12 3dd4 n ASP 200 Ca -0.21 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.93 3dd4 n ASP 200 Cb 0.47 0.56 0.00 0.00 -1.14 0.00 0.00 41.12 41.01 3dd4 n ASP 200 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dd4 n GLY 201 N 0.93 0.97 3.01 6.12 0.00 -1.26 -5.10 105.19 109.86 3dd4 n GLY 201 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3dd4 n GLY 201 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dd4 s VAL 202 N -2.00 0.44 -0.12 1.61 -7.23 -1.26 -4.03 120.40 107.81 3dd4 s VAL 202 Ca 0.00 -0.69 0.03 0.00 -1.81 0.00 0.00 61.98 59.51 3dd4 s VAL 202 Cb 0.00 -0.46 0.01 0.00 0.56 0.00 0.00 36.38 36.49 3dd4 s VAL 202 CO 0.00 -0.18 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.70 3dd4 s VAL 203 N -0.83 2.00 0.32 1.32 1.01 -1.03 -4.84 120.40 118.34 3dd4 s VAL 203 Ca -0.05 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3dd4 s VAL 203 Cb -0.06 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 3dd4 s VAL 203 CO 0.00 0.54 0.50 0.42 0.00 0.00 0.00 175.10 176.56 3dd4 s THR 204 N 0.61 5.15 0.17 3.92 -4.23 -1.26 -1.93 115.64 118.07 3dd4 s THR 204 Ca -0.12 -0.59 -0.23 0.00 -1.18 0.00 0.00 61.69 59.56 3dd4 s THR 204 Cb -0.17 -3.86 0.06 0.00 1.34 0.00 0.00 72.50 69.88 3dd4 s THR 204 CO 0.03 -0.49 1.60 -0.29 -0.54 0.00 0.00 174.62 174.93 3dd4 h ILE 205 N 0.88 0.23 -0.43 2.99 6.09 -1.98 0.25 117.51 125.53 3dd4 h ILE 205 Ca -0.50 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.08 3dd4 h ILE 205 Cb 1.22 0.23 -0.09 0.00 0.47 0.00 0.00 36.82 38.65 3dd4 h ILE 205 CO 0.61 0.00 -0.19 0.44 -3.07 0.00 0.00 178.15 175.95 3dd4 h ASP 206 N -0.25 -0.65 -0.82 2.19 3.45 -1.97 0.13 116.42 118.51 3dd4 h ASP 206 Ca 0.17 0.16 0.10 0.00 0.43 0.00 0.00 57.03 57.89 3dd4 h ASP 206 Cb 0.54 0.36 -0.08 0.00 -0.56 0.00 0.00 39.33 39.59 3dd4 h ASP 206 CO -0.54 -0.22 0.46 -0.33 -1.57 0.00 0.00 179.24 177.04 3dd4 h GLU 207 N -0.10 0.73 0.38 3.56 5.08 -1.32 -1.74 114.58 121.18 3dd4 h GLU 207 Ca 0.21 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3dd4 h GLU 207 Cb 0.42 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3dd4 h GLU 207 CO -0.50 0.49 -0.27 0.35 -1.00 0.00 0.00 179.01 178.08 3dd4 h PHE 208 N 0.76 -0.72 0.00 4.33 3.57 0.20 -2.63 116.94 122.44 3dd4 h PHE 208 Ca 0.40 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.90 3dd4 h PHE 208 Cb 0.40 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.41 3dd4 h PHE 208 CO -0.07 -0.38 0.00 -0.84 -2.23 0.00 0.00 178.31 174.79 3dd4 h ILE 209 N -0.62 0.00 0.12 1.41 3.07 -0.97 -2.25 117.51 118.27 3dd4 h ILE 209 Ca -0.05 -0.09 -0.30 0.00 1.55 0.00 0.00 64.86 65.97 3dd4 h ILE 209 Cb 0.51 0.98 0.03 0.00 -0.27 0.00 0.00 36.82 38.06 3dd4 h ILE 209 CO 0.03 0.00 -1.25 -0.08 -1.05 0.00 0.00 178.15 175.80 3dd4 h GLU 210 N 0.00 0.63 -0.12 0.16 4.81 -1.17 -1.95 114.58 116.94 3dd4 h GLU 210 Ca 0.00 -0.84 -0.03 0.00 -0.13 0.00 0.00 59.36 58.36 3dd4 h GLU 210 Cb 0.09 0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3dd4 h GLU 210 CO 0.00 1.38 -0.04 0.77 -0.73 0.00 0.00 179.01 180.39 3dd4 h SER 211 N 0.28 0.24 -0.73 1.04 0.02 -1.05 -1.85 113.55 111.50 3dd4 h SER 211 Ca -0.19 -0.39 -0.04 0.00 -0.84 0.00 0.00 61.79 60.34 3dd4 h SER 211 Cb 1.92 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 64.36 3dd4 h SER 211 CO 0.24 0.58 0.31 0.00 -1.14 0.00 0.00 176.83 176.82 3dd4 h GLN 213 N 1.04 0.00 -0.21 0.00 4.20 -1.33 -1.94 115.11 116.88 3dd4 h GLN 213 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3dd4 h GLN 213 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3dd4 h GLN 213 CO -0.02 0.36 0.00 0.36 -0.67 0.00 0.00 178.83 178.86 3dd4 n LYS 214 N -3.92 2.06 -3.29 1.46 2.85 -0.70 -4.75 118.16 111.87 3dd4 n LYS 214 Ca -0.02 -1.58 -0.44 0.00 -1.05 0.00 0.00 58.31 55.23 3dd4 n LYS 214 Cb 0.42 -1.45 -0.07 0.00 -0.65 0.00 0.00 35.03 33.27 3dd4 n LYS 214 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3dd4 s ASP 215 N -1.64 6.19 0.29 -5.58 3.68 -0.54 -4.96 116.67 114.12 3dd4 s ASP 215 Ca 0.34 -1.02 0.04 0.00 2.13 0.00 0.00 52.55 54.04 3dd4 s ASP 215 Cb 0.20 -2.23 0.75 0.00 -1.45 0.00 0.00 42.92 40.18 3dd4 s ASP 215 CO 0.29 -0.72 1.70 -0.08 0.13 0.00 0.00 175.17 176.49 3dd4 h GLU 216 N 8.84 0.42 -0.07 4.34 4.57 -1.85 -1.80 114.58 129.03 3dd4 h GLU 216 Ca -0.28 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 3dd4 h GLU 216 Cb 1.10 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3dd4 h GLU 216 CO 0.89 0.28 -0.03 -0.97 -1.18 0.00 0.00 179.01 178.00 3dd4 h ASN 217 N 0.43 0.14 -0.26 1.04 -0.73 -1.92 0.08 115.58 114.37 3dd4 h ASN 217 Ca 0.57 -0.40 -0.06 0.00 1.87 0.00 0.00 56.30 58.28 3dd4 h ASN 217 Cb 1.07 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.61 3dd4 h ASN 217 CO -0.51 0.51 -0.02 0.40 -0.37 0.00 0.00 177.43 177.44 3dd4 h ILE 218 N -0.23 1.21 0.24 2.57 2.04 -1.73 -2.41 117.51 119.21 3dd4 h ILE 218 Ca 0.02 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3dd4 h ILE 218 Cb 0.46 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3dd4 h ILE 218 CO 0.01 0.30 -0.12 0.24 0.00 0.00 0.00 178.15 178.58 3dd4 h MET 219 N 0.55 -0.31 -1.16 2.37 2.86 -1.25 -1.41 114.93 116.59 3dd4 h MET 219 Ca 0.11 0.02 0.33 0.00 -2.06 0.00 0.00 59.70 58.10 3dd4 h MET 219 Cb 0.38 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.04 3dd4 h MET 219 CO 0.01 -0.21 0.80 0.00 1.06 0.00 0.00 176.91 178.58 3dd4 h ARG 220 N -0.45 0.14 0.34 1.72 2.47 -1.03 0.34 114.38 117.91 3dd4 h ARG 220 Ca -0.03 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3dd4 h ARG 220 Cb 0.25 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 3dd4 h ARG 220 CO 0.05 0.09 -0.17 0.77 0.56 0.00 0.00 179.97 181.28 3dd4 h SER 221 N 0.15 -0.39 0.05 7.04 0.02 -1.42 -2.42 113.55 116.57 3dd4 h SER 221 Ca 0.60 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 3dd4 h SER 221 Cb 2.05 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 64.69 3dd4 h SER 221 CO -0.14 0.06 -0.03 0.24 -1.14 0.00 0.00 176.83 175.82 3dd4 h MET 222 N -0.99 0.00 0.35 3.45 2.86 -0.06 -2.45 114.93 118.09 3dd4 h MET 222 Ca -0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3dd4 h MET 222 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3dd4 h MET 222 CO 0.08 0.03 -0.17 1.96 1.06 0.00 0.00 176.91 179.87 3dd4 h GLN 223 N 0.00 -0.45 -0.87 1.72 4.20 -0.38 -2.79 115.11 116.54 3dd4 h GLN 223 Ca -0.00 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.82 3dd4 h GLN 223 Cb 0.06 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 3dd4 h GLN 223 CO 0.00 -0.19 0.57 1.25 -0.67 0.00 0.00 178.83 179.80 3dd4 h LEU 224 N -0.67 0.83 -0.51 1.46 5.85 -0.98 -2.93 115.31 118.36 3dd4 h LEU 224 Ca -0.05 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.53 3dd4 h LEU 224 Cb 0.47 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3dd4 h LEU 224 CO 0.08 0.52 -0.48 0.15 -0.34 0.00 0.00 178.44 178.37 3dd4 h PHE 225 N 0.93 0.82 -2.50 1.25 3.57 -1.41 -3.33 116.94 116.28 3dd4 h PHE 225 Ca 0.39 -0.27 -0.77 0.00 3.53 0.00 0.00 57.97 60.85 3dd4 h PHE 225 Cb 0.29 -0.16 -0.30 0.00 2.79 0.00 0.00 35.95 38.56 3dd4 h PHE 225 CO -0.00 1.02 0.62 -0.85 -2.23 0.00 0.00 178.31 176.86 3dd4 n GLU 226 N -4.00 4.59 0.00 1.11 0.28 -1.06 -3.67 120.64 117.89 3dd4 n GLU 226 Ca -0.03 -4.65 0.00 0.00 -0.16 0.00 0.00 57.16 52.32 3dd4 n GLU 226 Cb 0.57 -2.44 0.00 0.00 1.43 0.00 0.00 31.44 31.00 3dd4 n GLU 226 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3dd4 n ASN 227 N 0.52 0.00 0.15 -1.84 3.02 -1.25 -4.94 115.26 110.92 3dd4 n ASN 227 Ca 0.36 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.93 3dd4 n ASN 227 Cb 0.31 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.84 3dd4 n ASN 227 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3dd4 h VAL 228 N 0.00 1.23 0.00 2.41 2.07 -1.70 -3.53 116.25 116.74 3dd4 h VAL 228 Ca 0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3dd4 h VAL 228 Cb 0.00 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3dd4 h VAL 228 CO 0.00 0.33 0.00 2.30 0.02 0.00 0.00 177.57 180.22