#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n4k s ALA 0 N 0.00 3.67 0.10 5.20 0.00 -1.26 -4.92 121.76 124.55 3n4k s ALA 0 Ca 0.00 1.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 3n4k s ALA 0 Cb 0.00 -3.68 -0.13 0.00 0.00 0.00 0.00 23.12 19.31 3n4k s ALA 0 CO 0.00 -1.07 1.70 1.98 0.00 0.00 0.00 175.76 178.37 3n4k h MET 1 N 8.22 -0.23 -4.20 0.00 4.05 -1.43 -2.99 114.93 118.35 3n4k h MET 1 Ca -0.42 0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 58.89 3n4k h MET 1 Cb 1.20 0.05 -0.16 0.00 -0.80 0.00 0.00 31.60 31.89 3n4k h MET 1 CO 0.93 -0.15 -0.68 -0.51 0.23 0.00 0.00 176.91 176.72 3n4k s LEU 2 N -10.21 2.45 -0.39 3.39 1.43 -1.26 -0.57 118.68 113.52 3n4k s LEU 2 Ca -0.14 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 51.90 3n4k s LEU 2 Cb 0.06 0.20 0.03 0.00 0.03 0.00 0.00 46.19 46.51 3n4k s LEU 2 CO 0.66 -0.57 0.24 0.20 0.23 0.00 0.00 176.35 177.11 3n4k s ASN 3 N -2.75 5.88 -0.24 2.29 0.01 -0.10 -1.19 114.94 118.84 3n4k s ASN 3 Ca 0.04 -0.98 -0.12 0.00 -0.71 0.00 0.00 52.86 51.08 3n4k s ASN 3 Cb 0.06 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.60 3n4k s ASN 3 CO -0.09 -0.42 0.25 -0.63 -1.51 0.00 0.00 177.10 174.70 3n4k s ILE 4 N 1.60 5.29 -0.21 0.60 -1.09 -0.14 -0.54 121.20 126.70 3n4k s ILE 4 Ca 0.03 0.36 0.02 0.00 -2.23 0.00 0.00 60.65 58.83 3n4k s ILE 4 Cb -0.19 -3.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3n4k s ILE 4 CO 0.08 0.28 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.24 3n4k s VAL 5 N 1.36 1.96 -0.25 2.92 1.01 0.32 0.04 120.40 127.77 3n4k s VAL 5 Ca 0.11 -1.20 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 3n4k s VAL 5 Cb -0.14 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3n4k s VAL 5 CO 0.07 0.23 0.09 -0.76 0.00 0.00 0.00 175.10 174.73 3n4k s LEU 6 N 1.26 3.60 -0.34 3.92 1.43 -0.17 -0.21 118.68 128.17 3n4k s LEU 6 Ca -0.02 -0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.74 3n4k s LEU 6 Cb -0.16 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 3n4k s LEU 6 CO -0.09 -0.01 0.66 0.12 0.23 0.00 0.00 176.35 177.26 3n4k s PHE 7 N 1.48 3.17 -1.50 0.29 5.36 -0.24 -0.76 117.98 125.78 3n4k s PHE 7 Ca 0.06 0.48 -0.03 0.00 -0.96 0.00 0.00 56.93 56.48 3n4k s PHE 7 Cb -0.15 -3.12 0.03 0.00 -0.34 0.00 0.00 43.02 39.44 3n4k s PHE 7 CO 0.05 -0.58 0.35 0.39 -1.46 0.00 0.00 175.22 173.97 3n4k n GLU 8 N 6.04 -2.55 -1.82 10.12 1.02 0.05 -2.90 120.64 130.60 3n4k n GLU 8 Ca -0.00 0.31 -0.38 0.00 -0.02 0.00 0.00 57.16 57.06 3n4k n GLU 8 Cb 0.49 -4.34 0.04 0.00 -0.02 0.00 0.00 31.44 27.61 3n4k n GLU 8 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3n4k s PRO 9 N -6.85 3.09 -0.14 3.49 0.04 -1.26 -4.50 135.00 128.86 3n4k s PRO 9 Ca 0.11 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.33 3n4k s PRO 9 Cb -0.06 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 3n4k s PRO 9 CO 0.93 -1.21 -0.13 0.39 0.04 0.00 0.00 177.00 177.02 3n4k n GLU 10 N -1.14 0.35 -3.64 4.56 1.02 -1.26 -0.47 120.64 120.05 3n4k n GLU 10 Ca 0.11 0.08 -0.39 0.00 -0.02 0.00 0.00 57.16 56.94 3n4k n GLU 10 Cb 0.46 -1.28 -0.12 0.00 -0.02 0.00 0.00 31.44 30.49 3n4k n GLU 10 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3n4k s ILE 11 N -2.28 4.58 0.22 -3.67 -1.09 -1.26 -4.16 121.20 113.54 3n4k s ILE 11 Ca -0.19 -0.56 -0.08 0.00 -2.23 0.00 0.00 60.65 57.58 3n4k s ILE 11 Cb 0.05 -3.40 0.17 0.00 -1.58 0.00 0.00 42.46 37.70 3n4k s ILE 11 CO 0.32 -0.03 1.72 -0.65 -1.23 0.00 0.00 174.94 175.07 3n4k h PRO 12 N 8.37 0.32 -0.29 2.79 0.11 -1.94 -2.66 132.00 138.70 3n4k h PRO 12 Ca -0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3n4k h PRO 12 Cb 1.13 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3n4k h PRO 12 CO 0.63 0.21 0.12 -1.35 -0.21 0.00 0.00 178.00 177.40 3n4k h PRO 13 N 0.33 0.41 -0.47 1.05 0.10 -1.99 -1.48 132.00 129.94 3n4k h PRO 13 Ca 0.34 -0.04 0.01 0.00 0.10 0.00 0.00 66.00 66.40 3n4k h PRO 13 Cb 0.49 -0.08 -0.02 0.00 0.10 0.00 0.00 31.00 31.49 3n4k h PRO 13 CO -0.39 0.34 0.31 -0.91 0.10 0.00 0.00 178.00 177.45 3n4k h ASN 14 N 0.41 0.53 -0.33 -2.05 2.35 -1.91 -0.65 115.58 113.92 3n4k h ASN 14 Ca 0.10 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 3n4k h ASN 14 Cb 0.09 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3n4k h ASN 14 CO -0.01 0.38 -0.23 0.74 -1.65 0.00 0.00 177.43 176.66 3n4k h THR 15 N 0.63 1.27 -0.30 2.81 2.02 -1.37 -1.75 112.91 116.22 3n4k h THR 15 Ca 0.17 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 66.00 3n4k h THR 15 Cb -0.07 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3n4k h THR 15 CO -0.04 0.46 0.20 1.23 0.37 0.00 0.00 175.52 177.73 3n4k h GLY 16 N 0.94 0.42 0.81 2.16 0.00 -1.11 0.62 103.07 106.91 3n4k h GLY 16 Ca 0.10 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.32 3n4k h GLY 16 CO 0.06 0.15 0.61 3.43 0.00 0.00 0.00 176.54 180.79 3n4k h ASN 17 N 0.40 0.99 -0.05 0.19 2.35 -0.93 -2.52 115.58 116.02 3n4k h ASN 17 Ca 0.11 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 3n4k h ASN 17 Cb -0.05 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3n4k h ASN 17 CO -0.02 0.66 -0.39 0.40 -1.65 0.00 0.00 177.43 176.43 3n4k h ILE 18 N 1.14 1.30 -0.19 2.81 2.04 -0.58 -0.91 117.51 123.11 3n4k h ILE 18 Ca 0.39 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.72 3n4k h ILE 18 Cb 0.08 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3n4k h ILE 18 CO -0.15 0.49 0.09 0.40 0.00 0.00 0.00 178.15 178.98 3n4k h ILE 19 N 0.47 0.99 -0.33 -0.67 2.04 -0.66 0.43 117.51 119.78 3n4k h ILE 19 Ca 0.04 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3n4k h ILE 19 Cb 0.88 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3n4k h ILE 19 CO 0.08 0.04 0.21 -0.09 0.00 0.00 0.00 178.15 178.38 3n4k h ARG 20 N 0.20 0.42 -0.17 2.37 9.65 -1.32 -0.66 114.38 124.87 3n4k h ARG 20 Ca 0.08 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 3n4k h ARG 20 Cb 0.02 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 3n4k h ARG 20 CO -0.05 0.28 0.00 1.25 2.80 0.00 0.00 179.97 184.24 3n4k h LEU 21 N 0.43 -0.06 -0.75 3.80 5.85 -0.88 -0.64 115.31 123.06 3n4k h LEU 21 Ca 0.12 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 3n4k h LEU 21 Cb -0.04 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3n4k h LEU 21 CO -0.03 -0.01 0.00 0.00 -0.34 0.00 0.00 178.44 178.06 3n4k h ALA 23 N 1.11 1.06 0.00 0.00 0.00 -0.83 -1.30 119.26 119.29 3n4k h ALA 23 Ca 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3n4k h ALA 23 Cb 0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3n4k h ALA 23 CO 0.03 0.59 -0.08 -0.91 0.00 0.00 0.00 179.25 178.87 3n4k h ASN 24 N 0.76 0.00 -0.01 0.00 2.35 -0.67 -3.31 115.58 114.71 3n4k h ASN 24 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3n4k h ASN 24 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3n4k h ASN 24 CO 0.02 0.08 -0.06 0.35 -1.65 0.00 0.00 177.43 176.17 3n4k n THR 25 N -3.21 0.00 -1.07 2.81 -2.24 -0.88 -5.01 114.28 104.68 3n4k n THR 25 Ca 0.01 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3n4k n THR 25 Cb 0.36 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3n4k n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n4k n GLY 26 N 0.54 0.41 3.88 3.38 0.00 -0.59 -4.78 105.19 108.03 3n4k n GLY 26 Ca 0.03 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 3n4k n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4k s GLN 28 N -2.91 4.12 -0.01 0.00 2.00 -0.33 -4.55 119.66 117.98 3n4k s GLN 28 Ca 0.46 0.27 -0.18 0.00 -2.00 0.00 0.00 55.36 53.91 3n4k s GLN 28 Cb -0.11 -3.60 -0.06 0.00 0.80 0.00 0.00 33.01 30.05 3n4k s GLN 28 CO 0.23 -0.20 0.52 -1.17 -0.50 0.00 0.00 175.29 174.17 3n4k s LEU 29 N 1.82 4.43 -0.06 3.68 2.96 -1.26 -0.97 118.68 129.28 3n4k s LEU 29 Ca 0.20 1.07 0.05 0.00 -0.22 0.00 0.00 54.13 55.24 3n4k s LEU 29 Cb -0.15 -2.79 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 3n4k s LEU 29 CO 0.09 0.17 -0.23 -1.00 -1.32 0.00 0.00 176.35 174.06 3n4k s HIS 30 N -0.44 2.32 -0.15 5.38 3.76 0.11 -1.48 115.29 124.79 3n4k s HIS 30 Ca 0.28 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 3n4k s HIS 30 Cb -0.18 -1.53 -0.00 0.00 1.11 0.00 0.00 32.58 31.98 3n4k s HIS 30 CO 0.15 -0.24 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.12 3n4k s LEU 31 N -0.05 2.39 -0.29 0.89 1.43 0.22 -1.00 118.68 122.28 3n4k s LEU 31 Ca -0.06 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 3n4k s LEU 31 Cb -0.14 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3n4k s LEU 31 CO 0.04 0.09 0.22 -0.63 0.23 0.00 0.00 176.35 176.31 3n4k s ILE 32 N 0.75 5.29 0.74 -0.59 1.01 0.06 -0.32 121.20 128.14 3n4k s ILE 32 Ca -0.07 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 3n4k s ILE 32 Cb -0.16 -3.58 0.04 0.00 0.01 0.00 0.00 42.46 38.77 3n4k s ILE 32 CO 0.01 0.19 1.09 -0.54 0.00 0.00 0.00 174.94 175.69 3n4k s LYS 33 N 1.79 2.47 0.24 2.79 1.02 -0.22 -0.77 119.74 127.06 3n4k s LYS 33 Ca 0.08 1.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.92 3n4k s LYS 33 Cb -0.16 -1.92 -0.09 0.00 -0.52 0.00 0.00 37.83 35.14 3n4k s LYS 33 CO 0.11 -1.48 1.13 -1.25 -0.92 0.00 0.00 175.35 172.94 3n4k s PRO 34 N -4.82 4.59 0.61 -1.68 0.04 -1.26 -4.34 135.00 128.13 3n4k s PRO 34 Ca 0.61 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 63.33 3n4k s PRO 34 Cb -0.17 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 3n4k s PRO 34 CO 0.54 0.11 1.04 -0.51 0.04 0.00 0.00 177.00 178.22 3n4k s LEU 35 N -0.96 3.38 0.00 -3.56 1.43 -1.26 -4.35 118.68 113.36 3n4k s LEU 35 Ca 0.47 1.67 0.19 0.00 -1.03 0.00 0.00 54.13 55.43 3n4k s LEU 35 Cb -0.32 -4.51 0.64 0.00 0.03 0.00 0.00 46.19 42.03 3n4k s LEU 35 CO 0.39 -1.11 1.48 0.61 0.23 0.00 0.00 176.35 177.94 3n4k n GLY 36 N -1.57 0.43 3.17 -3.19 0.00 0.38 -4.87 105.19 99.53 3n4k n GLY 36 Ca 0.08 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 3n4k n GLY 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3n4k s PHE 37 N -1.71 0.53 0.03 1.61 -0.12 -1.26 -4.89 117.98 112.17 3n4k s PHE 37 Ca 0.31 -0.98 -0.19 0.00 -0.05 0.00 0.00 56.93 56.02 3n4k s PHE 37 Cb 0.16 -0.30 -0.06 0.00 -0.63 0.00 0.00 43.02 42.19 3n4k s PHE 37 CO 0.24 -0.50 0.56 0.95 -0.05 0.00 0.00 175.22 176.42 3n4k s THR 38 N -3.95 4.85 0.05 -4.49 -4.23 -1.26 -5.02 115.64 101.58 3n4k s THR 38 Ca 0.13 1.17 -0.31 0.00 -1.18 0.00 0.00 61.69 61.51 3n4k s THR 38 Cb 0.07 -3.89 -0.06 0.00 1.34 0.00 0.00 72.50 69.96 3n4k s THR 38 CO -0.05 0.50 1.24 0.86 -0.54 0.00 0.00 174.62 176.62 3n4k s TRP 39 N -0.71 3.34 -0.26 3.99 -0.11 -1.26 -5.01 118.94 118.92 3n4k s TRP 39 Ca 0.29 1.21 -0.01 0.00 1.22 0.00 0.00 56.10 58.81 3n4k s TRP 39 Cb -0.19 -3.47 0.15 0.00 -1.50 0.00 0.00 33.47 28.46 3n4k s TRP 39 CO 0.17 -1.50 0.42 0.34 -4.62 0.00 0.00 176.95 171.77 3n4k s ASP 40 N 1.17 -0.03 0.44 5.86 -1.08 -1.26 -5.02 116.67 116.76 3n4k s ASP 40 Ca 0.59 0.23 0.12 0.00 -0.52 0.00 0.00 52.55 52.97 3n4k s ASP 40 Cb -0.30 1.30 1.01 0.00 -1.46 0.00 0.00 42.92 43.47 3n4k s ASP 40 CO 0.28 -0.30 2.05 -2.24 0.52 0.00 0.00 175.17 175.48 3n4k h ASP 41 N 8.15 0.33 -0.39 -0.34 3.04 -1.99 -1.67 116.42 123.54 3n4k h ASP 41 Ca -0.18 -0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.50 3n4k h ASP 41 Cb 1.15 -0.08 -0.02 0.00 -1.04 0.00 0.00 39.33 39.35 3n4k h ASP 41 CO 0.27 0.22 -0.15 0.11 -2.04 0.00 0.00 179.24 177.65 3n4k h LYS 42 N 0.38 0.86 -0.50 4.15 1.57 -2.00 -1.23 116.57 119.81 3n4k h LYS 42 Ca 0.16 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 3n4k h LYS 42 Cb 0.17 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3n4k h LYS 42 CO -0.04 0.95 -0.15 0.00 -0.57 0.00 0.00 179.45 179.65 3n4k h ARG 43 N 0.76 0.96 -0.63 3.15 3.08 -1.77 -1.55 114.38 118.38 3n4k h ARG 43 Ca 0.12 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 3n4k h ARG 43 Cb 0.67 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 3n4k h ARG 43 CO 0.05 1.03 0.32 -0.07 -1.07 0.00 0.00 179.97 180.23 3n4k h LEU 44 N 0.84 0.82 -0.73 3.04 3.38 -0.91 -1.15 115.31 120.60 3n4k h LEU 44 Ca 0.13 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3n4k h LEU 44 Cb 0.70 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3n4k h LEU 44 CO 0.05 0.70 0.07 0.03 0.09 0.00 0.00 178.44 179.39 3n4k h ARG 45 N 0.87 1.05 0.00 1.13 3.08 -1.07 -1.99 114.38 117.45 3n4k h ARG 45 Ca 0.22 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3n4k h ARG 45 Cb 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3n4k h ARG 45 CO -0.03 0.98 -0.33 0.00 -1.07 0.00 0.00 179.97 179.51 3n4k h ARG 46 N 0.98 0.00 0.00 0.04 3.08 -1.03 -0.57 114.38 116.88 3n4k h ARG 46 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3n4k h ARG 46 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3n4k h ARG 46 CO 0.02 0.33 0.00 0.00 -1.07 0.00 0.00 179.97 179.25 3n4k n ALA 47 N -2.47 2.18 0.00 0.04 0.00 -0.46 -4.87 120.51 114.94 3n4k n ALA 47 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3n4k n ALA 47 Cb 0.38 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3n4k n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n4k n GLY 48 N 0.60 0.86 3.74 0.00 0.00 -0.22 -5.08 105.19 105.09 3n4k n GLY 48 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3n4k n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n4k s LEU 49 N 0.00 4.39 0.45 0.99 1.43 -0.78 -5.01 118.68 120.15 3n4k s LEU 49 Ca 0.00 1.25 -0.20 0.00 -1.03 0.00 0.00 54.13 54.15 3n4k s LEU 49 Cb 0.00 -3.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.05 3n4k s LEU 49 CO 0.00 -0.00 0.96 -0.62 0.23 0.00 0.00 176.35 176.92 3n4k s ASP 50 N 0.21 6.85 0.27 2.29 -1.08 -1.26 -4.04 116.67 119.91 3n4k s ASP 50 Ca 0.35 1.67 -0.01 0.00 -0.52 0.00 0.00 52.55 54.04 3n4k s ASP 50 Cb -0.19 -2.53 0.61 0.00 -1.46 0.00 0.00 42.92 39.35 3n4k s ASP 50 CO 0.19 -0.42 1.66 0.22 0.52 0.00 0.00 175.17 177.33 3n4k h TYR 51 N 1.67 0.28 0.00 -5.34 3.20 -1.98 -0.25 116.97 114.55 3n4k h TYR 51 Ca -0.48 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.40 3n4k h TYR 51 Cb 1.18 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 3n4k h TYR 51 CO 0.62 -0.18 -0.14 1.12 -1.64 0.00 0.00 178.16 177.94 3n4k h HIS 52 N 0.21 0.00 -0.19 -3.82 2.07 -2.00 0.46 115.15 111.88 3n4k h HIS 52 Ca 0.50 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.91 3n4k h HIS 52 Cb 0.95 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.92 3n4k h HIS 52 CO -0.29 0.14 -0.34 0.93 -3.07 0.00 0.00 177.93 175.31 3n4k h GLU 53 N 0.00 0.40 0.00 5.12 5.08 -1.42 -3.38 114.58 120.38 3n4k h GLU 53 Ca -0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3n4k h GLU 53 Cb 0.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3n4k h GLU 53 CO 0.02 0.69 -0.58 1.97 -1.00 0.00 0.00 179.01 180.11 3n4k n PHE 54 N -4.07 0.00 0.24 4.33 1.16 -0.80 -4.73 117.46 113.59 3n4k n PHE 54 Ca -0.01 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.65 3n4k n PHE 54 Cb 0.45 -0.03 0.59 0.00 -1.61 0.00 0.00 39.48 38.87 3n4k n PHE 54 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3n4k h ALA 55 N 0.44 1.57 -0.19 1.98 0.00 -1.11 -3.02 119.26 118.94 3n4k h ALA 55 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3n4k h ALA 55 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3n4k h ALA 55 CO 0.00 0.20 -0.01 -0.25 0.00 0.00 0.00 179.25 179.18 3n4k n ASP 56 N -4.11 3.33 -4.76 0.00 8.00 -1.26 -4.98 116.55 112.77 3n4k n ASP 56 Ca -0.02 -3.11 -0.41 0.00 0.71 0.00 0.00 54.79 51.96 3n4k n ASP 56 Cb 0.23 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 3n4k n ASP 56 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n4k s ILE 57 N -2.88 2.75 -0.10 0.53 1.01 -1.14 -4.87 121.20 116.49 3n4k s ILE 57 Ca 0.40 0.71 -0.23 0.00 0.00 0.00 0.00 60.65 61.53 3n4k s ILE 57 Cb 0.33 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 3n4k s ILE 57 CO 0.06 0.15 0.67 -0.54 0.00 0.00 0.00 174.94 175.29 3n4k s LYS 58 N -1.30 4.39 -0.16 2.79 1.02 -0.55 -4.99 119.74 120.94 3n4k s LYS 58 Ca 0.52 0.80 -0.02 0.00 0.02 0.00 0.00 55.97 57.29 3n4k s LYS 58 Cb -0.40 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.42 3n4k s LYS 58 CO 0.49 0.01 -0.07 -1.01 -0.92 0.00 0.00 175.35 173.85 3n4k s HIS 59 N 1.02 2.94 -0.05 3.18 3.76 -1.26 -0.61 115.29 124.27 3n4k s HIS 59 Ca 0.35 -0.53 0.05 0.00 -0.15 0.00 0.00 55.06 54.78 3n4k s HIS 59 Cb -0.17 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 3n4k s HIS 59 CO 0.16 -0.19 -0.18 -1.01 -0.85 0.00 0.00 174.74 172.67 3n4k s HIS 60 N 0.56 2.60 0.37 1.40 3.76 0.56 -4.96 115.29 119.58 3n4k s HIS 60 Ca -0.05 -0.32 0.06 0.00 -0.15 0.00 0.00 55.06 54.60 3n4k s HIS 60 Cb -0.15 -1.62 0.72 0.00 1.11 0.00 0.00 32.58 32.64 3n4k s HIS 60 CO 0.03 0.06 1.96 1.25 -0.85 0.00 0.00 174.74 177.19 3n4k h HIS 61 N 5.56 0.54 -2.48 1.40 2.76 -1.89 -0.58 115.15 120.46 3n4k h HIS 61 Ca -0.42 -0.02 0.15 0.00 -2.20 0.00 0.00 60.37 57.88 3n4k h HIS 61 Cb 1.15 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.88 3n4k h HIS 61 CO 0.47 0.44 0.48 0.16 -1.30 0.00 0.00 177.93 178.17 3n4k s ASP 62 N -6.70 -0.12 0.08 3.26 1.47 -1.26 -4.25 116.67 109.14 3n4k s ASP 62 Ca -0.08 -0.55 -0.22 0.00 1.18 0.00 0.00 52.55 52.88 3n4k s ASP 62 Cb 0.16 0.54 -0.12 0.00 -0.34 0.00 0.00 42.92 43.16 3n4k s ASP 62 CO 0.75 -1.02 1.62 0.22 0.68 0.00 0.00 175.17 177.42 3n4k h TYR 63 N 2.00 0.16 -0.16 2.11 3.20 -1.90 -1.79 116.97 120.59 3n4k h TYR 63 Ca -0.25 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.59 3n4k h TYR 63 Cb 1.23 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 3n4k h TYR 63 CO 0.72 0.24 0.02 0.37 -1.64 0.00 0.00 178.16 177.87 3n4k h GLN 64 N 0.02 0.23 -0.24 1.82 5.75 -1.99 -1.33 115.11 119.37 3n4k h GLN 64 Ca 0.04 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.39 3n4k h GLN 64 Cb 0.15 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 3n4k h GLN 64 CO -0.00 0.24 -0.35 0.00 -2.65 0.00 0.00 178.83 176.06 3n4k h ALA 65 N 1.80 0.95 -0.14 3.38 0.00 -1.89 -0.34 119.26 123.01 3n4k h ALA 65 Ca 0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3n4k h ALA 65 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3n4k h ALA 65 CO 0.00 0.62 0.09 0.35 0.00 0.00 0.00 179.25 180.30 3n4k h PHE 66 N 0.45 0.19 -0.62 0.00 3.57 -0.68 0.36 116.94 120.20 3n4k h PHE 66 Ca 0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3n4k h PHE 66 Cb 0.82 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 3n4k h PHE 66 CO 0.03 0.16 0.41 -0.07 -2.23 0.00 0.00 178.31 176.60 3n4k h LEU 67 N 0.16 0.72 -0.23 0.59 3.38 -0.87 -1.63 115.31 117.43 3n4k h LEU 67 Ca 0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3n4k h LEU 67 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3n4k h LEU 67 CO -0.01 0.53 -0.00 0.44 0.09 0.00 0.00 178.44 179.49 3n4k h ASP 68 N 0.84 0.40 -0.89 -0.43 3.32 -0.93 -0.66 116.42 118.07 3n4k h ASP 68 Ca 0.23 -0.31 0.06 0.00 0.02 0.00 0.00 57.03 57.02 3n4k h ASP 68 Cb -0.08 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.30 3n4k h ASP 68 CO -0.05 0.62 0.58 -1.28 -1.72 0.00 0.00 179.24 177.40 3n4k h SER 69 N 0.18 0.91 -0.47 6.45 0.87 -0.71 -2.53 113.55 118.24 3n4k h SER 69 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3n4k h SER 69 Cb 0.42 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3n4k h SER 69 CO 0.01 0.60 0.00 -0.62 -0.53 0.00 0.00 176.83 176.29 3n4k n GLU 70 N -4.48 2.41 -3.81 2.24 -0.58 -0.63 -4.95 120.64 110.85 3n4k n GLU 70 Ca 0.13 -2.16 -0.28 0.00 -0.42 0.00 0.00 57.16 54.43 3n4k n GLU 70 Cb 0.18 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.59 3n4k n GLU 70 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3n4k n LYS 71 N 1.31 -6.27 -3.45 3.49 4.76 -0.65 -4.98 118.16 112.38 3n4k n LYS 71 Ca 0.20 0.67 -0.37 0.00 -2.87 0.00 0.00 58.31 55.94 3n4k n LYS 71 Cb 0.55 -5.60 -0.07 0.00 -1.84 0.00 0.00 35.03 28.07 3n4k n LYS 71 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3n4k s LEU 72 N -7.27 4.26 -0.14 -0.35 1.43 -0.35 -4.92 118.68 111.35 3n4k s LEU 72 Ca 0.61 0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 54.06 3n4k s LEU 72 Cb -0.30 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 3n4k s LEU 72 CO 0.80 0.07 1.88 -0.62 0.23 0.00 0.00 176.35 178.71 3n4k s ASP 73 N 0.48 6.16 0.25 2.29 -1.08 -1.26 -4.60 116.67 118.92 3n4k s ASP 73 Ca 0.20 2.02 -0.03 0.00 -0.52 0.00 0.00 52.55 54.23 3n4k s ASP 73 Cb -0.14 -2.53 0.48 0.00 -1.46 0.00 0.00 42.92 39.27 3n4k s ASP 73 CO 0.07 -1.37 1.76 0.28 0.52 0.00 0.00 175.17 176.42 3n4k h SER 74 N 11.81 0.45 0.00 -0.34 0.02 -1.95 -1.17 113.55 122.37 3n4k h SER 74 Ca -0.40 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3n4k h SER 74 Cb 1.20 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3n4k h SER 74 CO 0.97 0.20 0.00 0.35 -1.14 0.00 0.00 176.83 177.21 3n4k n THR 75 N -4.90 0.00 -3.42 -2.27 -2.24 -1.26 -4.62 114.28 95.56 3n4k n THR 75 Ca 0.15 1.08 -0.34 0.00 -2.27 0.00 0.00 64.05 62.67 3n4k n THR 75 Cb 0.40 -2.06 -0.05 0.00 -2.10 0.00 0.00 70.33 66.51 3n4k n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n4k n GLN 76 N -1.94 3.03 -2.26 -0.78 10.64 -1.08 -4.79 117.38 120.20 3n4k n GLN 76 Ca 0.00 -4.57 -0.42 0.00 -1.83 0.00 0.00 57.00 50.18 3n4k n GLN 76 Cb 0.00 -2.38 -0.03 0.00 -0.86 0.00 0.00 30.24 26.97 3n4k n GLN 76 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 3n4k s PRO 77 N -2.11 4.35 -0.12 2.61 0.05 -0.46 -4.57 135.00 134.75 3n4k s PRO 77 Ca 0.32 1.96 -0.29 0.00 0.05 0.00 0.00 61.00 63.05 3n4k s PRO 77 Cb 0.03 -3.32 -0.06 0.00 0.05 0.00 0.00 34.50 31.21 3n4k s PRO 77 CO -0.03 -0.40 1.92 0.00 0.05 0.00 0.00 177.00 178.54 3n4k s ALA 78 N 1.25 3.23 -1.57 8.56 0.00 -1.26 -2.89 121.76 129.08 3n4k s ALA 78 Ca 0.63 0.89 -0.04 0.00 0.00 0.00 0.00 51.96 53.43 3n4k s ALA 78 Cb -0.34 -3.91 0.01 0.00 0.00 0.00 0.00 23.12 18.88 3n4k s ALA 78 CO 0.29 -2.04 0.56 0.54 0.00 0.00 0.00 175.76 175.11 3n4k n ARG 79 N 7.92 -4.61 -3.74 0.00 5.12 -1.26 -4.81 116.66 115.28 3n4k n ARG 79 Ca 0.22 0.91 -0.36 0.00 -1.93 0.00 0.00 57.85 56.70 3n4k n ARG 79 Cb 0.44 -5.75 -0.09 0.00 -1.16 0.00 0.00 32.46 25.89 3n4k n ARG 79 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3n4k s LEU 80 N -6.64 4.11 -0.05 0.55 0.20 -1.14 -0.94 118.68 114.77 3n4k s LEU 80 Ca 0.28 0.16 0.05 0.00 0.69 0.00 0.00 54.13 55.32 3n4k s LEU 80 Cb -0.13 -2.08 -0.01 0.00 -0.43 0.00 0.00 46.19 43.55 3n4k s LEU 80 CO 0.35 0.13 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.97 3n4k s PHE 81 N 0.65 2.09 -0.19 5.38 0.08 0.17 -4.87 117.98 121.29 3n4k s PHE 81 Ca 0.07 -0.59 -0.10 0.00 0.12 0.00 0.00 56.93 56.43 3n4k s PHE 81 Cb -0.12 -1.38 -0.05 0.00 -0.57 0.00 0.00 43.02 40.90 3n4k s PHE 81 CO 0.01 -0.17 0.15 0.00 -0.10 0.00 0.00 175.22 175.10 3n4k s ALA 82 N -0.13 3.69 -0.25 5.36 0.00 0.23 -0.65 121.76 130.00 3n4k s ALA 82 Ca -0.02 -0.66 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 3n4k s ALA 82 Cb -0.12 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 3n4k s ALA 82 CO 0.02 0.19 0.62 -0.51 0.00 0.00 0.00 175.76 176.08 3n4k s LEU 83 N 0.27 4.06 -0.13 0.00 2.01 0.59 -0.47 118.68 125.01 3n4k s LEU 83 Ca 0.09 0.69 -0.20 0.00 0.01 0.00 0.00 54.13 54.72 3n4k s LEU 83 Cb -0.11 -2.83 0.05 0.00 0.01 0.00 0.00 46.19 43.30 3n4k s LEU 83 CO -0.01 -0.36 0.52 0.28 1.01 0.00 0.00 176.35 177.79 3n4k s THR 84 N 2.48 0.01 0.44 5.49 -1.32 0.15 -4.50 115.64 118.39 3n4k s THR 84 Ca 0.26 -0.09 0.40 0.00 -1.21 0.00 0.00 61.69 61.05 3n4k s THR 84 Cb -0.15 -0.77 0.42 0.00 -1.51 0.00 0.00 72.50 70.48 3n4k s THR 84 CO 0.08 -0.05 2.22 0.71 -2.21 0.00 0.00 174.62 175.37 3n4k h THR 85 N 3.95 0.00 -0.12 5.08 1.35 -1.94 -0.55 112.91 120.67 3n4k h THR 85 Ca -0.28 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3n4k h THR 85 Cb 1.17 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3n4k h THR 85 CO 0.26 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.82 3n4k n LYS 86 N -3.04 1.43 -1.00 4.72 5.02 -1.26 -4.93 118.16 119.11 3n4k n LYS 86 Ca -0.02 -0.66 -0.13 0.00 -2.02 0.00 0.00 58.31 55.48 3n4k n LYS 86 Cb 0.14 -1.30 0.09 0.00 -0.02 0.00 0.00 35.03 33.94 3n4k n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n4k n GLY 87 N 0.94 -0.90 0.80 0.72 0.00 -0.22 -5.01 105.19 101.52 3n4k n GLY 87 Ca 0.13 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3n4k n GLY 87 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3n4k n THR 88 N -2.68 0.00 -2.09 2.61 -1.04 0.27 -4.57 114.28 106.78 3n4k n THR 88 Ca 0.08 0.05 -0.37 0.00 -2.04 0.00 0.00 64.05 61.76 3n4k n THR 88 Cb 0.27 -1.00 0.01 0.00 -1.82 0.00 0.00 70.33 67.78 3n4k n THR 88 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3n4k s PRO 89 N -0.90 3.52 0.73 -2.82 0.04 -1.25 -4.62 135.00 129.71 3n4k s PRO 89 Ca 0.00 1.94 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 3n4k s PRO 89 Cb 0.00 -2.34 0.04 0.00 0.04 0.00 0.00 34.50 32.24 3n4k s PRO 89 CO 0.00 -0.79 1.19 0.00 0.04 0.00 0.00 177.00 177.43 3n4k s ALA 90 N -1.46 2.12 0.52 8.56 0.00 -1.25 -1.33 121.76 128.92 3n4k s ALA 90 Ca 0.67 0.80 0.20 0.00 0.00 0.00 0.00 51.96 53.63 3n4k s ALA 90 Cb -0.33 -3.44 1.31 0.00 0.00 0.00 0.00 23.12 20.66 3n4k s ALA 90 CO 0.39 -1.86 2.06 1.12 0.00 0.00 0.00 175.76 177.48 3n4k h HIS 91 N -0.39 0.04 -0.01 0.00 2.07 -1.91 -0.70 115.15 114.26 3n4k h HIS 91 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 3n4k h HIS 91 Cb 1.29 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.25 3n4k h HIS 91 CO 0.49 0.02 -0.10 -1.13 -3.07 0.00 0.00 177.93 174.14 3n4k n SER 92 N -4.46 0.63 0.00 3.10 3.41 -1.26 -3.60 113.62 111.44 3n4k n SER 92 Ca 0.04 -0.79 0.11 0.00 -0.26 0.00 0.00 58.87 57.96 3n4k n SER 92 Cb 0.36 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3n4k n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n4k n ALA 93 N -0.76 4.35 -2.34 7.33 0.00 -0.27 -4.88 120.51 123.94 3n4k n ALA 93 Ca 0.16 -0.52 -0.34 0.00 0.00 0.00 0.00 53.44 52.74 3n4k n ALA 93 Cb 0.28 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 3n4k n ALA 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3n4k s VAL 94 N -3.00 4.84 -0.41 0.00 1.01 -1.22 -4.97 120.40 116.65 3n4k s VAL 94 Ca 0.09 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 3n4k s VAL 94 Cb 0.16 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.90 3n4k s VAL 94 CO 0.81 0.13 0.26 -0.55 0.00 0.00 0.00 175.10 175.76 3n4k s SER 95 N -1.91 5.77 0.52 3.32 0.15 -1.26 -5.05 113.70 115.23 3n4k s SER 95 Ca 0.42 -1.27 -0.18 0.00 0.70 0.00 0.00 55.95 55.62 3n4k s SER 95 Cb -0.14 -2.04 -0.07 0.00 -1.71 0.00 0.00 66.02 62.06 3n4k s SER 95 CO 0.20 -0.50 1.01 -0.31 1.20 0.00 0.00 173.24 174.84 3n4k s TYR 96 N 1.52 3.18 0.11 3.44 2.02 -1.26 -5.08 117.35 121.28 3n4k s TYR 96 Ca 0.03 1.53 0.08 0.00 -0.37 0.00 0.00 57.07 58.34 3n4k s TYR 96 Cb -0.22 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.38 3n4k s TYR 96 CO 0.05 -0.66 -0.20 -0.65 -1.57 0.00 0.00 175.55 172.52 3n4k s GLN 97 N -3.72 1.13 0.39 -0.62 -0.21 -1.26 -4.89 119.66 110.48 3n4k s GLN 97 Ca 0.63 -1.20 -0.26 0.00 0.02 0.00 0.00 55.36 54.55 3n4k s GLN 97 Cb -0.13 -1.33 -0.11 0.00 1.00 0.00 0.00 33.01 32.44 3n4k s GLN 97 CO 0.27 0.30 1.15 0.00 -2.12 0.00 0.00 175.29 174.89 3n4k n ALA 98 N 0.93 0.71 -0.93 6.09 0.00 -1.26 -1.90 120.51 124.16 3n4k n ALA 98 Ca -0.18 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3n4k n ALA 98 Cb 0.54 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3n4k n ALA 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3n4k n ASN 99 N 0.52 -0.84 -4.57 0.00 5.15 0.27 -5.00 115.26 110.79 3n4k n ASN 99 Ca 0.08 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.68 3n4k n ASN 99 Cb 0.38 -0.59 0.05 0.00 -0.53 0.00 0.00 39.78 39.08 3n4k n ASN 99 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3n4k n ASP 100 N -0.04 0.20 -4.63 1.20 8.00 -0.80 -4.36 116.55 116.12 3n4k n ASP 100 Ca 0.00 0.79 -0.36 0.00 0.71 0.00 0.00 54.79 55.93 3n4k n ASP 100 Cb 0.02 -1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 39.71 3n4k n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3n4k s TYR 101 N -1.57 3.28 -0.19 1.24 2.02 -0.12 -0.92 117.35 121.09 3n4k s TYR 101 Ca 0.73 0.13 0.01 0.00 -0.37 0.00 0.00 57.07 57.57 3n4k s TYR 101 Cb -0.43 -2.24 0.02 0.00 -0.40 0.00 0.00 41.96 38.92 3n4k s TYR 101 CO 0.50 0.03 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.82 3n4k s LEU 102 N 1.01 2.37 -0.18 -1.29 1.43 0.30 -0.65 118.68 121.67 3n4k s LEU 102 Ca 0.07 -0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 3n4k s LEU 102 Cb -0.14 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 3n4k s LEU 102 CO 0.04 -0.03 -0.02 -0.22 0.23 0.00 0.00 176.35 176.35 3n4k s LEU 103 N 1.28 3.25 0.02 1.79 2.96 0.17 -0.52 118.68 127.62 3n4k s LEU 103 Ca 0.03 -0.17 0.08 0.00 -0.22 0.00 0.00 54.13 53.85 3n4k s LEU 103 Cb -0.14 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3n4k s LEU 103 CO -0.11 0.11 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.42 3n4k s PHE 104 N 0.72 2.36 0.79 5.38 0.08 0.70 -0.30 117.98 127.70 3n4k s PHE 104 Ca -0.01 -0.40 -0.07 0.00 0.12 0.00 0.00 56.93 56.56 3n4k s PHE 104 Cb -0.14 -1.45 0.13 0.00 -0.57 0.00 0.00 43.02 40.98 3n4k s PHE 104 CO 0.02 0.07 1.10 0.20 -0.10 0.00 0.00 175.22 176.51 3n4k s GLY 105 N -0.99 1.74 0.54 4.36 0.00 -1.26 -1.08 107.32 110.63 3n4k s GLY 105 Ca 0.11 -1.28 -0.18 0.00 0.00 0.00 0.00 44.72 43.38 3n4k s GLY 105 CO 0.01 -0.71 1.05 2.56 0.00 0.00 0.00 173.10 176.01 3n4k s PRO 106 N -5.41 3.54 0.35 2.90 0.04 -1.14 -4.73 135.00 130.55 3n4k s PRO 106 Ca 0.66 1.28 0.03 0.00 0.04 0.00 0.00 61.00 63.01 3n4k s PRO 106 Cb -0.07 -2.06 0.65 0.00 0.04 0.00 0.00 34.50 33.06 3n4k s PRO 106 CO 0.47 -0.64 1.98 0.93 0.04 0.00 0.00 177.00 179.78 3n4k h GLU 107 N 0.94 0.73 0.06 4.56 3.07 -1.90 -0.19 114.58 121.86 3n4k h GLU 107 Ca -0.48 -0.07 -0.30 0.00 -0.50 0.00 0.00 59.36 58.01 3n4k h GLU 107 Cb 1.22 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.95 3n4k h GLU 107 CO 0.58 0.54 -1.62 0.25 -1.40 0.00 0.00 179.01 177.35 3n4k n THR 108 N -4.41 1.66 -0.01 1.13 -2.24 -1.26 -4.62 114.28 104.54 3n4k n THR 108 Ca 0.05 -0.33 0.02 0.00 -2.27 0.00 0.00 64.05 61.51 3n4k n THR 108 Cb 0.09 -1.90 -0.12 0.00 -2.10 0.00 0.00 70.33 66.31 3n4k n THR 108 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3n4k n ARG 109 N -3.98 0.65 -0.58 -0.78 1.74 -1.18 -5.09 116.66 107.44 3n4k n ARG 109 Ca -0.32 0.04 0.08 0.00 -0.77 0.00 0.00 57.85 56.88 3n4k n ARG 109 Cb 0.86 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 30.62 3n4k n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3n4k n GLY 110 N 1.43 -1.51 3.77 -0.13 0.00 -0.09 -4.87 105.19 103.77 3n4k n GLY 110 Ca -0.13 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 3n4k n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n4k s LEU 111 N 0.00 4.36 0.58 0.99 1.43 -1.26 -4.22 118.68 120.56 3n4k s LEU 111 Ca 0.00 2.42 -0.19 0.00 -1.03 0.00 0.00 54.13 55.32 3n4k s LEU 111 Cb 0.00 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 3n4k s LEU 111 CO 0.00 -0.48 1.22 -2.16 0.23 0.00 0.00 176.35 175.16 3n4k s PRO 112 N -1.92 3.01 0.28 1.29 0.04 -1.26 -4.86 135.00 131.58 3n4k s PRO 112 Ca 0.51 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.43 3n4k s PRO 112 Cb -0.33 -1.98 0.52 0.00 0.04 0.00 0.00 34.50 32.75 3n4k s PRO 112 CO 0.43 -1.19 1.86 0.00 0.04 0.00 0.00 177.00 178.14 3n4k h ALA 113 N 0.99 1.50 0.00 8.56 0.00 -1.98 -2.05 119.26 126.28 3n4k h ALA 113 Ca -0.50 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 3n4k h ALA 113 Cb 1.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3n4k h ALA 113 CO 0.55 0.29 -0.18 0.10 0.00 0.00 0.00 179.25 180.02 3n4k h TYR 114 N 1.04 0.00 0.00 0.00 -0.00 -1.98 0.29 116.97 116.32 3n4k h TYR 114 Ca 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 59.19 3n4k h TYR 114 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.10 3n4k h TYR 114 CO -0.00 0.18 -0.00 0.82 -0.00 0.00 0.00 178.16 179.15 3n4k h ILE 115 N 0.00 1.58 -0.72 -0.90 2.04 -1.75 -3.23 117.51 114.53 3n4k h ILE 115 Ca -0.00 -1.75 -0.07 0.00 1.00 0.00 0.00 64.86 64.04 3n4k h ILE 115 Cb 0.39 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 3n4k h ILE 115 CO 0.02 0.45 0.19 -0.07 0.00 0.00 0.00 178.15 178.74 3n4k h LEU 116 N -0.75 1.08 -1.64 1.44 3.38 -1.17 -2.98 115.31 114.67 3n4k h LEU 116 Ca -0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3n4k h LEU 116 Cb 0.75 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3n4k h LEU 116 CO 0.00 1.03 -0.14 0.44 0.09 0.00 0.00 178.44 179.86 3n4k h ASP 117 N 1.09 0.00 1.19 -0.43 3.32 -0.56 -2.25 116.42 118.78 3n4k h ASP 117 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3n4k h ASP 117 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3n4k h ASP 117 CO 0.00 0.14 -0.11 0.00 -1.72 0.00 0.00 179.24 177.55 3n4k n ALA 118 N -2.23 2.46 -2.84 3.45 0.00 -1.13 -4.87 120.51 115.36 3n4k n ALA 118 Ca -0.01 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 52.99 3n4k n ALA 118 Cb 0.30 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 3n4k n ALA 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n4k s LEU 119 N -3.93 4.38 0.69 0.00 1.43 -0.85 -4.80 118.68 115.59 3n4k s LEU 119 Ca 0.11 0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 3n4k s LEU 119 Cb 0.15 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.86 3n4k s LEU 119 CO 0.60 0.29 1.15 -2.16 0.23 0.00 0.00 176.35 176.46 3n4k s PRO 120 N -1.67 2.49 0.36 1.29 0.04 -1.26 -4.91 135.00 131.35 3n4k s PRO 120 Ca 0.25 1.53 0.12 0.00 0.04 0.00 0.00 61.00 62.94 3n4k s PRO 120 Cb -0.13 -1.90 0.92 0.00 0.04 0.00 0.00 34.50 33.43 3n4k s PRO 120 CO 0.15 -1.51 1.80 0.00 0.04 0.00 0.00 177.00 177.47 3n4k h ALA 121 N -0.15 1.95 0.00 8.56 0.00 -1.94 -0.18 119.26 127.50 3n4k h ALA 121 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3n4k h ALA 121 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3n4k h ALA 121 CO 0.52 -0.31 0.00 1.04 0.00 0.00 0.00 179.25 180.50 3n4k n GLN 122 N -4.66 0.30 -0.22 0.00 1.13 -1.26 -2.15 117.38 110.52 3n4k n GLN 122 Ca 0.23 0.08 0.08 0.00 -1.94 0.00 0.00 57.00 55.44 3n4k n GLN 122 Cb 0.68 -1.50 0.20 0.00 0.11 0.00 0.00 30.24 29.73 3n4k n GLN 122 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3n4k n GLN 123 N -1.30 2.61 -3.93 -1.09 6.02 -0.08 -4.84 117.38 114.77 3n4k n GLN 123 Ca 0.10 -2.18 -0.35 0.00 -0.01 0.00 0.00 57.00 54.57 3n4k n GLN 123 Cb 0.18 -1.37 -0.14 0.00 1.02 0.00 0.00 30.24 29.93 3n4k n GLN 123 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3n4k s LYS 124 N -1.04 2.43 -0.21 -1.09 1.02 -0.91 -0.60 119.74 119.33 3n4k s LYS 124 Ca 0.31 -1.26 -0.08 0.00 0.02 0.00 0.00 55.97 54.96 3n4k s LYS 124 Cb 0.17 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 3n4k s LYS 124 CO 0.22 -0.60 0.09 0.42 -0.92 0.00 0.00 175.35 174.57 3n4k s ILE 125 N 1.24 4.87 -0.25 2.17 1.01 0.38 -0.56 121.20 130.05 3n4k s ILE 125 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 3n4k s ILE 125 Cb -0.20 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 3n4k s ILE 125 CO -0.02 0.40 0.03 -0.60 0.00 0.00 0.00 174.94 174.75 3n4k s ARG 126 N 0.84 3.39 0.01 2.79 3.52 -0.44 -0.68 118.95 128.38 3n4k s ARG 126 Ca 0.05 -0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 54.70 3n4k s ARG 126 Cb -0.13 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 29.99 3n4k s ARG 126 CO 0.02 -0.26 1.34 0.42 -0.81 0.00 0.00 175.30 176.02 3n4k s ILE 127 N 1.53 3.78 0.53 4.11 1.01 -1.26 -3.49 121.20 127.40 3n4k s ILE 127 Ca 0.05 1.19 -0.22 0.00 0.00 0.00 0.00 60.65 61.67 3n4k s ILE 127 Cb -0.15 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 3n4k s ILE 127 CO 0.00 0.02 1.28 -2.65 0.00 0.00 0.00 174.94 173.59 3n4k n PRO 128 N 4.99 1.61 -3.75 2.79 -0.02 -1.26 -4.99 135.00 134.36 3n4k n PRO 128 Ca 0.12 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 62.07 3n4k n PRO 128 Cb 0.44 -2.47 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 3n4k n PRO 128 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3n4k s MET 129 N -2.71 0.75 0.78 -0.52 -1.94 -1.26 -5.12 119.30 109.28 3n4k s MET 129 Ca 0.70 -0.37 -0.14 0.00 -1.71 0.00 0.00 55.69 54.17 3n4k s MET 129 Cb -0.44 0.33 0.07 0.00 2.01 0.00 0.00 34.83 36.80 3n4k s MET 129 CO 0.51 -0.23 1.21 -0.65 -0.01 0.00 0.00 175.02 175.85 3n4k s GLN 130 N -2.02 1.82 0.45 2.03 -0.21 -1.26 -4.95 119.66 115.52 3n4k s GLN 130 Ca -0.09 1.76 -0.24 0.00 0.02 0.00 0.00 55.36 56.82 3n4k s GLN 130 Cb -0.03 -1.80 -0.09 0.00 1.00 0.00 0.00 33.01 32.10 3n4k s GLN 130 CO 0.00 -2.08 1.08 0.00 -2.12 0.00 0.00 175.29 172.17 3n4k n ALA 131 N -3.09 0.52 -0.74 6.09 0.00 -1.26 -2.47 120.51 119.56 3n4k n ALA 131 Ca 0.14 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3n4k n ALA 131 Cb 0.50 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3n4k n ALA 131 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3n4k n ASP 132 N 0.19 0.00 -4.75 0.00 8.00 -1.26 -5.01 116.55 113.72 3n4k n ASP 132 Ca 0.09 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.22 3n4k n ASP 132 Cb 0.41 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.54 3n4k n ASP 132 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3n4k s SER 133 N -3.21 5.28 -0.04 -2.24 0.01 -1.03 -5.01 113.70 107.45 3n4k s SER 133 Ca 0.00 2.52 -0.30 0.00 1.31 0.00 0.00 55.95 59.48 3n4k s SER 133 Cb 0.00 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 3n4k s SER 133 CO 0.00 -1.54 1.06 -0.13 0.41 0.00 0.00 173.24 173.04 3n4k s ARG 134 N -3.12 4.46 0.34 12.44 0.52 -1.26 -5.01 118.95 127.31 3n4k s ARG 134 Ca 0.74 1.51 -0.08 0.00 -0.52 0.00 0.00 55.73 57.38 3n4k s ARG 134 Cb -0.34 -3.49 -0.06 0.00 0.52 0.00 0.00 34.95 31.58 3n4k s ARG 134 CO 0.38 -0.24 -0.40 -1.13 0.02 0.00 0.00 175.30 173.92 3n4k n SER 135 N 4.53 -1.50 -4.84 0.23 3.41 -1.26 -4.92 113.62 109.27 3n4k n SER 135 Ca 0.08 0.03 -0.32 0.00 -0.26 0.00 0.00 58.87 58.40 3n4k n SER 135 Cb 0.49 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 3n4k n SER 135 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3n4k s MET 136 N -0.67 3.74 0.27 4.33 -1.94 -1.26 -5.03 119.30 118.74 3n4k s MET 136 Ca 0.13 0.94 -0.30 0.00 -1.71 0.00 0.00 55.69 54.75 3n4k s MET 136 Cb -0.01 -2.10 -0.13 0.00 2.01 0.00 0.00 34.83 34.60 3n4k s MET 136 CO 0.25 -0.45 1.36 -1.71 -0.01 0.00 0.00 175.02 174.47 3n4k n ASN 137 N -1.97 2.71 -0.16 3.03 2.85 -1.26 -4.87 115.26 115.59 3n4k n ASN 137 Ca 0.07 1.16 -0.05 0.00 -0.11 0.00 0.00 54.58 55.65 3n4k n ASN 137 Cb 0.54 -1.44 0.04 0.00 1.24 0.00 0.00 39.78 40.16 3n4k n ASN 137 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3n4k h LEU 138 N 3.70 0.40 -0.97 1.20 5.85 -1.96 -0.13 115.31 123.40 3n4k h LEU 138 Ca -0.45 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.19 3n4k h LEU 138 Cb 1.28 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3n4k h LEU 138 CO 0.72 0.28 -0.37 0.77 -0.34 0.00 0.00 178.44 179.49 3n4k h SER 139 N 0.52 0.29 -0.62 1.25 4.64 -1.92 -1.07 113.55 116.64 3n4k h SER 139 Ca 0.21 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 3n4k h SER 139 Cb 0.08 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3n4k h SER 139 CO -0.13 0.64 0.08 0.78 -0.87 0.00 0.00 176.83 177.34 3n4k h ASN 140 N 0.24 1.00 -0.09 4.97 2.35 -1.80 -1.83 115.58 120.42 3n4k h ASN 140 Ca 0.03 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3n4k h ASN 140 Cb 0.77 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 3n4k h ASN 140 CO 0.06 1.02 0.06 0.00 -1.65 0.00 0.00 177.43 176.92 3n4k h ALA 141 N 1.02 0.12 -0.31 -0.83 0.00 -0.45 -1.40 119.26 117.41 3n4k h ALA 141 Ca 0.19 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3n4k h ALA 141 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3n4k h ALA 141 CO 0.02 -0.39 0.14 0.28 0.00 0.00 0.00 179.25 179.30 3n4k h VAL 142 N 0.13 0.97 -0.53 0.00 2.07 -1.13 -2.40 116.25 115.35 3n4k h VAL 142 Ca 0.03 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.52 3n4k h VAL 142 Cb -0.01 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 3n4k h VAL 142 CO -0.01 0.05 0.21 0.28 0.02 0.00 0.00 177.57 178.13 3n4k h SER 143 N 0.30 0.23 -0.48 0.57 0.02 -0.99 -0.26 113.55 112.94 3n4k h SER 143 Ca 0.13 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3n4k h SER 143 Cb 0.06 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3n4k h SER 143 CO -0.10 0.16 0.26 0.58 -1.14 0.00 0.00 176.83 176.58 3n4k h VAL 144 N 0.40 1.17 -0.21 2.27 2.07 -1.07 -1.14 116.25 119.75 3n4k h VAL 144 Ca 0.25 -0.45 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 3n4k h VAL 144 Cb 0.26 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3n4k h VAL 144 CO -0.24 0.19 -0.45 0.58 0.02 0.00 0.00 177.57 177.67 3n4k h VAL 145 N 0.63 1.32 -0.41 2.57 2.07 -1.17 -1.56 116.25 119.70 3n4k h VAL 145 Ca 0.17 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.03 3n4k h VAL 145 Cb 0.07 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3n4k h VAL 145 CO -0.03 0.52 0.25 0.58 0.02 0.00 0.00 177.57 178.92 3n4k h VAL 146 N 0.37 1.06 -0.08 2.57 2.07 -0.98 -0.81 116.25 120.45 3n4k h VAL 146 Ca 0.00 -0.17 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 3n4k h VAL 146 Cb 1.05 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3n4k h VAL 146 CO 0.10 0.09 -0.56 1.88 0.02 0.00 0.00 177.57 179.10 3n4k h TYR 147 N 0.50 0.29 -0.20 1.57 -1.99 -1.19 -0.79 116.97 115.16 3n4k h TYR 147 Ca 0.16 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 3n4k h TYR 147 Cb -0.01 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.66 3n4k h TYR 147 CO -0.07 0.73 0.06 1.49 -0.00 0.00 0.00 178.16 180.38 3n4k h GLU 148 N 0.18 0.31 -0.69 4.88 4.57 -1.00 -1.13 114.58 121.71 3n4k h GLU 148 Ca 0.00 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3n4k h GLU 148 Cb 1.03 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 3n4k h GLU 148 CO 0.09 0.42 0.41 0.00 -1.18 0.00 0.00 179.01 178.75 3n4k h ALA 149 N 0.88 0.87 -0.57 2.92 0.00 -1.02 -1.70 119.26 120.64 3n4k h ALA 149 Ca 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3n4k h ALA 149 Cb 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3n4k h ALA 149 CO -0.00 0.35 -0.01 2.35 0.00 0.00 0.00 179.25 181.93 3n4k h TRP 150 N 0.93 1.08 -0.22 0.00 7.01 -1.07 -0.57 115.95 123.12 3n4k h TRP 150 Ca 0.25 -0.18 0.03 0.00 2.11 0.00 0.00 58.89 61.10 3n4k h TRP 150 Cb -0.03 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 26.71 3n4k h TRP 150 CO -0.01 0.97 0.01 -0.09 -2.79 0.00 0.00 178.44 176.53 3n4k h ARG 151 N 0.91 0.09 -0.59 2.65 2.43 -0.97 0.90 114.38 119.81 3n4k h ARG 151 Ca 0.16 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3n4k h ARG 151 Cb 0.55 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 3n4k h ARG 151 CO 0.03 0.06 0.29 1.96 -1.51 0.00 0.00 179.97 180.80 3n4k h GLN 152 N 0.09 0.82 0.00 0.20 4.20 -0.68 -1.52 115.11 118.22 3n4k h GLN 152 Ca 0.10 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3n4k h GLN 152 Cb 0.12 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3n4k h GLN 152 CO -0.16 0.63 0.00 1.28 -0.67 0.00 0.00 178.83 179.91 3n4k n LEU 153 N -4.37 0.00 0.00 1.46 4.77 -0.28 -4.90 117.00 113.68 3n4k n LEU 153 Ca 0.05 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3n4k n LEU 153 Cb 0.12 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3n4k n LEU 153 CO 0.38 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3n4k n GLY 154 N 0.81 0.58 3.68 -0.72 0.00 -0.57 -4.31 105.19 104.65 3n4k n GLY 154 Ca 0.07 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 3n4k n GLY 154 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3n4k n TYR 155 N -3.32 -2.09 -1.80 1.61 4.01 0.24 -4.89 117.16 110.92 3n4k n TYR 155 Ca 0.00 0.88 -0.41 0.00 -0.16 0.00 0.00 57.90 58.21 3n4k n TYR 155 Cb 0.29 -4.50 -0.01 0.00 -0.31 0.00 0.00 39.34 34.81 3n4k n TYR 155 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3n4k s PRO 156 N -5.99 4.13 0.00 -0.72 0.04 -1.26 -1.81 135.00 129.38 3n4k s PRO 156 Ca 0.15 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.74 3n4k s PRO 156 Cb -0.07 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.46 3n4k s PRO 156 CO 0.79 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.66 3n4k n GLY 157 N 1.58 1.99 3.77 0.56 0.00 -1.26 -5.02 105.19 106.81 3n4k n GLY 157 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3n4k n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4k s ALA 158 N -2.37 3.23 0.12 4.61 0.00 -0.75 -5.00 121.76 121.60 3n4k s ALA 158 Ca 0.00 0.97 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 3n4k s ALA 158 Cb 0.00 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3n4k s ALA 158 CO 0.00 -0.46 1.32 -1.17 0.00 0.00 0.00 175.76 175.46 3n4k s LEU 159 N -2.26 4.38 0.05 0.00 2.96 -1.26 -5.00 118.68 117.55 3n4k s LEU 159 Ca 0.54 2.26 -0.24 0.00 -0.22 0.00 0.00 54.13 56.47 3n4k s LEU 159 Cb -0.31 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.73 3n4k s LEU 159 CO 0.40 -0.58 0.74 -0.76 -1.32 0.00 0.00 176.35 174.83 3n4k s LEU 160 N 0.84 4.46 0.00 -0.68 2.01 -1.26 -5.22 118.68 118.83 3n4k s LEU 160 Ca 0.61 1.43 0.00 0.00 0.01 0.00 0.00 54.13 56.18 3n4k s LEU 160 Cb -0.35 -3.19 0.00 0.00 0.01 0.00 0.00 46.19 42.66 3n4k s LEU 160 CO 0.31 0.06 0.42 0.29 1.01 0.00 0.00 176.35 178.44