#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4n n ASN 2 N 0.00 2.24 -0.20 3.17 4.13 -1.26 -4.76 115.26 118.58 2k4n n ASN 2 Ca 0.00 -3.28 0.01 0.00 1.68 0.00 0.00 54.58 52.99 2k4n n ASN 2 Cb 0.00 0.76 0.26 0.00 -1.54 0.00 0.00 39.78 39.26 2k4n n ASN 2 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2k4n h SER 3 N 1.50 0.83 -0.34 6.41 0.02 -1.97 -1.49 113.55 118.51 2k4n h SER 3 Ca -0.38 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.49 2k4n h SER 3 Cb 1.29 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 2k4n h SER 3 CO 0.61 0.60 0.02 -0.08 -1.14 0.00 0.00 176.83 176.84 2k4n h GLU 4 N 0.97 0.69 -0.69 3.45 4.81 -1.99 -0.99 114.58 120.83 2k4n h GLU 4 Ca 0.26 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2k4n h GLU 4 Cb -0.11 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 2k4n h GLU 4 CO -0.06 0.69 0.19 0.28 -0.73 0.00 0.00 179.01 179.39 2k4n h VAL 5 N 0.66 1.26 -0.31 0.32 2.07 -1.68 -0.75 116.25 117.81 2k4n h VAL 5 Ca 0.14 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 2k4n h VAL 5 Cb 0.38 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2k4n h VAL 5 CO 0.01 0.36 0.14 0.40 0.02 0.00 0.00 177.57 178.51 2k4n h ILE 6 N 1.03 1.16 -0.24 4.57 2.04 -0.98 -0.74 117.51 124.34 2k4n h ILE 6 Ca 0.22 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.66 2k4n h ILE 6 Cb 0.34 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2k4n h ILE 6 CO -0.00 0.16 0.01 0.11 0.00 0.00 0.00 178.15 178.43 2k4n h LYS 7 N 0.36 0.08 -0.48 2.37 1.57 -0.92 -0.95 116.57 118.60 2k4n h LYS 7 Ca 0.10 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2k4n h LYS 7 Cb 0.13 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2k4n h LYS 7 CO -0.01 0.06 0.26 1.49 -0.57 0.00 0.00 179.45 180.67 2k4n h GLU 8 N 0.09 0.50 -0.95 3.15 4.81 -0.95 0.22 114.58 121.46 2k4n h GLU 8 Ca 0.11 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2k4n h GLU 8 Cb 0.14 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 2k4n h GLU 8 CO -0.19 0.33 0.62 0.35 -0.73 0.00 0.00 179.01 179.39 2k4n h PHE 9 N 0.52 1.16 -0.39 0.92 3.57 -0.69 -0.26 116.94 121.76 2k4n h PHE 9 Ca 0.21 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 2k4n h PHE 9 Cb 0.08 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 2k4n h PHE 9 CO -0.09 0.67 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.57 2k4n h LEU 10 N 1.20 0.70 -1.34 0.59 3.38 -0.41 -1.94 115.31 117.50 2k4n h LEU 10 Ca 0.37 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2k4n h LEU 10 Cb -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2k4n h LEU 10 CO -0.12 0.85 0.12 -0.33 0.09 0.00 0.00 178.44 179.05 2k4n h GLU 11 N 0.53 0.57 0.04 1.13 5.08 -0.39 0.34 114.58 121.88 2k4n h GLU 11 Ca 0.11 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2k4n h GLU 11 Cb 0.50 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k4n h GLU 11 CO 0.02 0.50 -0.02 0.22 -1.00 0.00 0.00 179.01 178.74 2k4n h ASP 12 N 0.56 -0.04 0.53 1.42 3.58 -0.79 -3.00 116.42 118.68 2k4n h ASP 12 Ca 0.13 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2k4n h ASP 12 Cb 0.18 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2k4n h ASP 12 CO -0.01 0.27 0.00 2.30 -2.88 0.00 0.00 179.24 178.92 2k4n n ILE 13 N -4.97 0.27 -0.94 2.25 -5.35 -0.75 -4.87 119.36 105.00 2k4n n ILE 13 Ca -0.08 0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 2k4n n ILE 13 Cb 0.18 -0.67 0.00 0.00 -1.74 0.00 0.00 39.64 37.41 2k4n n ILE 13 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k4n n GLY 14 N 0.80 0.73 3.89 3.28 0.00 -0.36 -5.06 105.19 108.47 2k4n n GLY 14 Ca 0.10 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 2k4n n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k4n s GLU 15 N -2.02 3.71 -0.24 1.61 2.56 0.11 -5.00 118.70 119.42 2k4n s GLU 15 Ca 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 54.97 55.09 2k4n s GLU 15 Cb 0.00 -2.55 -0.04 0.00 2.00 0.00 0.00 34.13 33.54 2k4n s GLU 15 CO 0.00 0.14 0.11 -0.51 -0.56 0.00 0.00 175.26 174.43 2k4n s ASP 16 N -3.07 5.58 -0.10 -1.70 1.01 -1.26 -4.35 116.67 112.78 2k4n s ASP 16 Ca 0.47 -0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.69 2k4n s ASP 16 Cb -0.11 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.81 2k4n s ASP 16 CO 0.29 0.02 -0.16 -0.72 0.21 0.00 0.00 175.17 174.82 2k4n s TYR 17 N 1.30 2.72 -0.67 4.23 1.13 -1.26 -4.76 117.35 120.03 2k4n s TYR 17 Ca 0.06 -0.56 -0.08 0.00 -1.41 0.00 0.00 57.07 55.08 2k4n s TYR 17 Cb -0.15 -1.75 0.18 0.00 -1.10 0.00 0.00 41.96 39.14 2k4n s TYR 17 CO 0.05 -0.12 0.55 0.42 -2.51 0.00 0.00 175.55 173.93 2k4n s ILE 18 N 0.00 4.50 -0.46 -3.49 1.01 -0.60 -4.93 121.20 117.22 2k4n s ILE 18 Ca -0.05 -2.59 -0.17 0.00 0.00 0.00 0.00 60.65 57.85 2k4n s ILE 18 Cb -0.14 -3.87 0.05 0.00 0.01 0.00 0.00 42.46 38.51 2k4n s ILE 18 CO 0.04 -0.92 0.44 -0.70 0.00 0.00 0.00 174.94 173.81 2k4n s GLU 19 N 0.25 3.03 -0.13 2.79 -6.30 -1.24 -0.19 118.70 116.92 2k4n s GLU 19 Ca 0.15 -1.09 0.01 0.00 -2.50 0.00 0.00 54.97 51.54 2k4n s GLU 19 Cb -0.18 -4.07 0.02 0.00 0.00 0.00 0.00 34.13 29.90 2k4n s GLU 19 CO -0.05 -1.00 -0.14 -0.51 0.02 0.00 0.00 175.26 173.59 2k4n s LEU 20 N 1.96 1.63 -1.49 2.70 1.43 0.28 -4.77 118.68 120.42 2k4n s LEU 20 Ca 0.08 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2k4n s LEU 20 Cb -0.21 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 44.94 2k4n s LEU 20 CO 0.10 -0.03 0.76 -0.62 0.23 0.00 0.00 176.35 176.78 2k4n n GLU 21 N 4.54 -5.54 -1.72 1.70 1.02 -1.26 -0.83 120.64 118.56 2k4n n GLU 21 Ca -0.17 0.83 -0.06 0.00 -0.02 0.00 0.00 57.16 57.73 2k4n n GLU 21 Cb 0.51 -5.73 -0.01 0.00 -0.02 0.00 0.00 31.44 26.18 2k4n n GLU 21 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2k4n n ASN 22 N -2.64 -3.05 -4.19 1.62 5.03 -1.26 -4.96 115.26 105.80 2k4n n ASN 22 Ca -0.07 0.06 -0.35 0.00 0.87 0.00 0.00 54.58 55.10 2k4n n ASN 22 Cb 0.59 -1.85 -0.14 0.00 -1.02 0.00 0.00 39.78 37.37 2k4n n ASN 22 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2k4n s GLU 23 N -3.56 2.72 -0.59 3.52 2.02 -0.01 0.18 118.70 122.98 2k4n s GLU 23 Ca 0.00 -1.06 -0.21 0.00 0.02 0.00 0.00 54.97 53.73 2k4n s GLU 23 Cb 0.00 -3.04 0.08 0.00 0.10 0.00 0.00 34.13 31.27 2k4n s GLU 23 CO 0.00 -0.46 0.80 0.42 0.02 0.00 0.00 175.26 176.04 2k4n s ILE 24 N 1.30 4.62 -0.21 -1.63 1.01 0.57 -0.56 121.20 126.30 2k4n s ILE 24 Ca -0.01 -0.56 -0.22 0.00 0.00 0.00 0.00 60.65 59.85 2k4n s ILE 24 Cb -0.18 -4.53 -0.02 0.00 0.01 0.00 0.00 42.46 37.75 2k4n s ILE 24 CO -0.03 -1.18 0.72 -1.00 0.00 0.00 0.00 174.94 173.45 2k4n s HIS 25 N 3.27 3.35 0.21 3.97 3.76 0.74 -0.27 115.29 130.32 2k4n s HIS 25 Ca 0.18 1.02 0.02 0.00 -0.15 0.00 0.00 55.06 56.13 2k4n s HIS 25 Cb -0.20 -2.91 -0.01 0.00 1.11 0.00 0.00 32.58 30.58 2k4n s HIS 25 CO 0.10 -0.27 0.07 1.28 -0.85 0.00 0.00 174.74 175.07 2k4n n LEU 26 N 5.45 0.00 -4.85 0.89 4.77 -0.98 -1.56 117.00 120.72 2k4n n LEU 26 Ca 0.02 -1.59 -0.35 0.00 -0.03 0.00 0.00 56.01 54.06 2k4n n LEU 26 Cb 0.49 0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 42.03 2k4n n LEU 26 CO 0.45 -0.24 0.16 -0.54 -1.33 0.00 0.00 177.39 175.89 2k4n s LYS 27 N -2.80 3.89 0.22 3.23 1.02 -1.26 -4.62 119.74 119.42 2k4n s LYS 27 Ca 0.10 0.36 -0.08 0.00 0.02 0.00 0.00 55.97 56.37 2k4n s LYS 27 Cb 0.00 -2.98 0.36 0.00 -0.52 0.00 0.00 37.83 34.69 2k4n s LYS 27 CO 0.07 0.53 1.69 -1.35 -0.92 0.00 0.00 175.35 175.36 2k4n h PRO 28 N 3.69 0.22 -0.35 -1.68 0.11 -1.95 0.83 132.00 132.86 2k4n h PRO 28 Ca -0.49 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 2k4n h PRO 28 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2k4n h PRO 28 CO 0.66 0.14 -0.21 1.49 -0.21 0.00 0.00 178.00 179.87 2k4n h GLU 29 N 0.22 0.68 -0.40 1.05 4.81 -1.95 -2.05 114.58 116.95 2k4n h GLU 29 Ca 0.35 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 2k4n h GLU 29 Cb 0.57 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2k4n h GLU 29 CO -0.48 0.84 -0.21 0.28 -0.73 0.00 0.00 179.01 178.72 2k4n h VAL 30 N 0.60 1.28 -0.84 0.32 2.07 -1.64 -2.60 116.25 115.44 2k4n h VAL 30 Ca 0.09 -1.35 0.08 0.00 0.82 0.00 0.00 66.70 66.34 2k4n h VAL 30 Cb 0.69 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 2k4n h VAL 30 CO 0.05 0.45 0.50 0.15 0.02 0.00 0.00 177.57 178.74 2k4n h PHE 31 N 0.65 0.92 -0.48 1.57 3.57 -0.64 0.58 116.94 123.11 2k4n h PHE 31 Ca 0.09 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2k4n h PHE 31 Cb 0.77 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2k4n h PHE 31 CO 0.06 0.41 0.29 -0.92 -2.23 0.00 0.00 178.31 175.93 2k4n h TYR 32 N 0.87 0.63 -0.35 0.41 3.20 -1.14 0.21 116.97 120.79 2k4n h TYR 32 Ca 0.39 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.15 2k4n h TYR 32 Cb 0.28 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2k4n h TYR 32 CO -0.05 0.43 -0.20 0.93 -1.64 0.00 0.00 178.16 177.64 2k4n h GLU 33 N 0.64 0.76 -0.49 1.82 4.39 -1.00 -2.71 114.58 117.99 2k4n h GLU 33 Ca 0.17 -0.34 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 2k4n h GLU 33 Cb -0.02 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2k4n h GLU 33 CO -0.03 0.96 0.02 0.28 -1.16 0.00 0.00 179.01 179.08 2k4n h VAL 34 N 0.54 1.24 -0.30 3.13 2.07 -0.74 -0.38 116.25 121.81 2k4n h VAL 34 Ca 0.07 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.70 2k4n h VAL 34 Cb 0.75 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 2k4n h VAL 34 CO 0.06 0.34 -0.13 -0.25 0.02 0.00 0.00 177.57 177.61 2k4n h TRP 35 N 0.75 -0.31 -0.16 1.57 7.01 -0.39 -0.13 115.95 124.30 2k4n h TRP 35 Ca 0.15 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.04 2k4n h TRP 35 Cb 0.42 0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 2k4n h TRP 35 CO 0.02 -0.20 -0.51 0.87 -2.79 0.00 0.00 178.44 175.83 2k4n h LYS 36 N -0.08 0.44 -0.68 2.65 1.57 -1.22 0.67 116.57 119.92 2k4n h LYS 36 Ca 0.15 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2k4n h LYS 36 Cb 0.31 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 2k4n h LYS 36 CO -0.36 0.85 0.41 -0.92 -0.57 0.00 0.00 179.45 178.87 2k4n h TYR 37 N 0.35 0.77 -0.08 -1.35 3.20 -0.18 -2.09 116.97 117.59 2k4n h TYR 37 Ca 0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2k4n h TYR 37 Cb 1.02 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.04 2k4n h TYR 37 CO 0.03 0.41 0.00 1.33 -1.64 0.00 0.00 178.16 178.30 2k4n n VAL 38 N -4.71 0.21 0.00 1.81 0.24 -0.14 -4.77 118.33 110.97 2k4n n VAL 38 Ca 0.08 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2k4n n VAL 38 Cb 0.12 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 2k4n n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k4n n GLY 39 N 0.39 0.65 3.15 7.63 0.00 -0.79 -4.61 105.19 111.61 2k4n n GLY 39 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2k4n n GLY 39 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k4n n GLU 40 N -1.81 -1.40 -0.11 1.61 2.13 0.22 -4.98 120.64 116.30 2k4n n GLU 40 Ca 0.00 1.42 0.00 0.00 0.66 0.00 0.00 57.16 59.24 2k4n n GLU 40 Cb 0.00 -5.27 0.00 0.00 0.27 0.00 0.00 31.44 26.44 2k4n n GLU 40 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2k4n n PRO 41 N -1.82 1.44 -3.24 5.31 -0.04 -1.26 -5.01 135.00 130.38 2k4n n PRO 41 Ca -0.04 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.07 2k4n n PRO 41 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 2k4n n PRO 41 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2k4n s GLU 42 N 0.20 4.09 0.31 0.54 2.56 -1.26 -5.07 118.70 120.07 2k4n s GLU 42 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 54.97 55.61 2k4n s GLU 42 Cb 0.00 -2.88 -0.04 0.00 2.00 0.00 0.00 34.13 33.21 2k4n s GLU 42 CO 0.00 0.42 0.54 -0.51 -0.56 0.00 0.00 175.26 175.15 2k4n s LEU 43 N -2.04 4.05 0.08 2.70 1.43 -1.26 -4.93 118.68 118.71 2k4n s LEU 43 Ca 0.41 0.56 0.08 0.00 -1.03 0.00 0.00 54.13 54.14 2k4n s LEU 43 Cb -0.15 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2k4n s LEU 43 CO 0.20 -0.23 -0.20 -0.54 0.23 0.00 0.00 176.35 175.80 2k4n s LYS 44 N -3.91 1.19 0.03 1.70 1.02 -0.46 -5.02 119.74 114.29 2k4n s LYS 44 Ca 0.41 -1.07 -0.02 0.00 0.02 0.00 0.00 55.97 55.31 2k4n s LYS 44 Cb -0.10 -1.39 -0.02 0.00 -0.52 0.00 0.00 37.83 35.80 2k4n s LYS 44 CO 0.33 0.33 0.01 0.95 -0.92 0.00 0.00 175.35 176.05 2k4n s THR 45 N -1.04 0.14 -0.01 2.17 -4.23 -1.26 -0.09 115.64 111.32 2k4n s THR 45 Ca 0.06 -1.12 -0.08 0.00 -1.18 0.00 0.00 61.69 59.37 2k4n s THR 45 Cb -0.10 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.07 2k4n s THR 45 CO 0.03 -0.62 0.15 -0.72 -0.54 0.00 0.00 174.62 172.93 2k4n s TYR 46 N -2.22 0.00 -0.25 3.99 1.13 -0.38 -4.98 117.35 114.63 2k4n s TYR 46 Ca -0.09 -0.04 -0.10 0.00 -1.41 0.00 0.00 57.07 55.43 2k4n s TYR 46 Cb -0.04 -0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.75 2k4n s TYR 46 CO -0.03 -0.27 0.14 0.08 -2.51 0.00 0.00 175.55 172.95 2k4n s VAL 47 N -1.22 5.00 0.10 -3.49 1.01 -1.26 -0.19 120.40 120.35 2k4n s VAL 47 Ca -0.13 0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.96 2k4n s VAL 47 Cb -0.07 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2k4n s VAL 47 CO 0.02 0.32 -0.02 -0.51 0.00 0.00 0.00 175.10 174.91 2k4n s ILE 48 N 1.40 3.89 -0.77 2.22 2.07 0.29 -4.92 121.20 125.38 2k4n s ILE 48 Ca 0.06 -1.07 -0.22 0.00 -1.41 0.00 0.00 60.65 58.02 2k4n s ILE 48 Cb -0.15 -2.86 0.09 0.00 0.13 0.00 0.00 42.46 39.67 2k4n s ILE 48 CO 0.06 0.10 1.06 -0.70 -1.91 0.00 0.00 174.94 173.55 2k4n s GLU 49 N -2.34 3.30 -0.54 3.50 2.56 -1.26 -0.80 118.70 123.12 2k4n s GLU 49 Ca 0.25 -1.13 -0.20 0.00 0.00 0.00 0.00 54.97 53.90 2k4n s GLU 49 Cb -0.11 -4.52 0.06 0.00 2.00 0.00 0.00 34.13 31.56 2k4n s GLU 49 CO 0.18 -1.84 0.70 -0.51 -0.56 0.00 0.00 175.26 173.23 2k4n s ASP 50 N 3.76 6.23 -0.37 -1.70 1.11 -1.04 -4.99 116.67 119.67 2k4n s ASP 50 Ca 0.27 -0.94 -0.17 0.00 0.18 0.00 0.00 52.55 51.90 2k4n s ASP 50 Cb -0.12 -2.32 -0.00 0.00 1.07 0.00 0.00 42.92 41.55 2k4n s ASP 50 CO 0.03 -1.01 0.42 -1.61 1.18 0.00 0.00 175.17 174.18 2k4n s GLU 51 N 2.90 3.44 -1.15 8.23 2.02 -1.26 -0.60 118.70 132.28 2k4n s GLU 51 Ca 0.17 -0.45 -0.17 0.00 0.02 0.00 0.00 54.97 54.53 2k4n s GLU 51 Cb -0.19 -3.85 0.12 0.00 0.10 0.00 0.00 34.13 30.30 2k4n s GLU 51 CO 0.12 -0.65 1.45 0.42 0.02 0.00 0.00 175.26 176.62 2k4n s ILE 52 N 2.15 4.57 0.60 -1.63 1.01 -0.24 -4.97 121.20 122.69 2k4n s ILE 52 Ca 0.14 -1.96 -0.01 0.00 0.00 0.00 0.00 60.65 58.82 2k4n s ILE 52 Cb -0.16 -4.98 0.05 0.00 0.01 0.00 0.00 42.46 37.37 2k4n s ILE 52 CO 0.13 -1.75 0.85 0.68 0.00 0.00 0.00 174.94 174.84 2k4n s VAL 53 N 2.99 2.54 -0.48 2.92 -7.23 -1.26 -1.82 120.40 118.06 2k4n s VAL 53 Ca 0.44 -0.56 -0.24 0.00 -1.81 0.00 0.00 61.98 59.82 2k4n s VAL 53 Cb -0.01 -2.98 0.03 0.00 0.56 0.00 0.00 36.38 33.98 2k4n s VAL 53 CO -0.01 0.00 0.85 -0.70 -0.31 0.00 0.00 175.10 174.92 2k4n s GLU 54 N -4.91 3.40 -1.13 4.82 2.56 -1.26 -4.98 118.70 117.20 2k4n s GLU 54 Ca 0.58 -0.12 -0.14 0.00 0.00 0.00 0.00 54.97 55.30 2k4n s GLU 54 Cb -0.10 -3.97 0.17 0.00 2.00 0.00 0.00 34.13 32.23 2k4n s GLU 54 CO 0.40 -1.23 1.32 -1.25 -0.56 0.00 0.00 175.26 173.94 2k4n s PRO 55 N 3.52 3.99 0.00 4.30 0.04 -1.26 -4.12 135.00 141.47 2k4n s PRO 55 Ca 0.31 -2.48 0.00 0.00 0.04 0.00 0.00 61.00 58.87 2k4n s PRO 55 Cb -0.12 -4.97 0.00 0.00 0.04 0.00 0.00 34.50 29.45 2k4n s PRO 55 CO 0.22 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 175.97 2k4n n GLY 56 N 4.25 0.00 3.19 0.56 0.00 -1.26 -5.16 105.19 106.77 2k4n n GLY 56 Ca 0.32 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 2k4n n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4n s GLU 57 N 0.00 1.48 -0.00 1.61 0.41 -1.26 -5.01 118.70 115.93 2k4n s GLU 57 Ca 0.00 -0.69 0.10 0.00 -0.41 0.00 0.00 54.97 53.96 2k4n s GLU 57 Cb 0.00 -1.45 -0.23 0.00 -1.78 0.00 0.00 34.13 30.67 2k4n s GLU 57 CO 0.00 0.39 0.82 -0.92 -0.49 0.00 0.00 175.26 175.07 2k4n h TYR 58 N 5.58 0.03 -2.93 1.61 3.20 -2.02 -3.46 116.97 118.98 2k4n h TYR 58 Ca -0.38 -0.03 -0.62 0.00 3.14 0.00 0.00 58.73 60.84 2k4n h TYR 58 Cb 1.15 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.36 2k4n h TYR 58 CO 0.41 1.04 -0.27 -0.51 -1.64 0.00 0.00 178.16 177.19 2k4n s ASP 59 N -6.32 6.71 -0.09 -2.11 1.01 -1.26 -5.02 116.67 109.59 2k4n s ASP 59 Ca -0.04 0.84 -0.31 0.00 0.71 0.00 0.00 52.55 53.75 2k4n s ASP 59 Cb 0.08 -2.21 -0.09 0.00 1.01 0.00 0.00 42.92 41.72 2k4n s ASP 59 CO 0.82 0.34 2.04 -0.81 0.21 0.00 0.00 175.17 177.77 2k4n n PRO 60 N 1.90 2.32 0.29 8.23 -0.04 -1.26 -4.85 135.00 141.60 2k4n n PRO 60 Ca -0.15 0.79 0.20 0.00 -0.04 0.00 0.00 63.50 64.30 2k4n n PRO 60 Cb 0.53 -2.94 1.01 0.00 -0.04 0.00 0.00 33.50 32.06 2k4n n PRO 60 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2k4n h PRO 61 N 11.59 0.00 -0.64 0.54 0.11 -1.94 -2.67 132.00 138.99 2k4n h PRO 61 Ca -0.46 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.76 2k4n h PRO 61 Cb 1.25 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 2k4n h PRO 61 CO 0.95 0.00 0.23 1.49 -0.21 0.00 0.00 178.00 180.46 2k4n h GLU 62 N 0.00 0.38 0.00 1.05 4.81 -2.00 0.53 114.58 119.35 2k4n h GLU 62 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k4n h GLU 62 Cb 0.10 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2k4n h GLU 62 CO 0.00 0.25 0.00 0.52 -0.73 0.00 0.00 179.01 179.05 2k4n h MET 63 N 0.39 0.00 0.09 1.92 2.86 -1.87 -3.17 114.93 115.16 2k4n h MET 63 Ca 0.33 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.63 2k4n h MET 63 Cb 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2k4n h MET 63 CO -0.34 0.00 -1.84 1.63 1.06 0.00 0.00 176.91 177.42 2k4n n LYS 64 N -2.52 0.71 -3.38 1.72 5.02 -0.58 -5.03 118.16 114.10 2k4n n LYS 64 Ca 0.04 0.34 -0.12 0.00 -2.02 0.00 0.00 58.31 56.55 2k4n n LYS 64 Cb 0.41 -1.71 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 2k4n n LYS 64 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2k4n n TYR 65 N -3.72 -2.54 0.06 2.13 9.36 0.17 -4.97 117.16 117.66 2k4n n TYR 65 Ca -0.32 0.96 0.00 0.00 3.32 0.00 0.00 57.90 61.86 2k4n n TYR 65 Cb 0.96 -3.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.10 2k4n n TYR 65 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2k4n n THR 66 N -2.33 0.91 -0.34 2.97 -2.24 -1.26 -4.87 114.28 107.13 2k4n n THR 66 Ca -0.13 0.30 0.07 0.00 -2.27 0.00 0.00 64.05 62.02 2k4n n THR 66 Cb 0.58 -1.34 0.19 0.00 -2.10 0.00 0.00 70.33 67.67 2k4n n THR 66 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k4n n ASN 67 N -3.39 3.26 -4.56 3.42 3.02 -1.26 -4.92 115.26 110.84 2k4n n ASN 67 Ca 0.00 -2.18 -0.37 0.00 -0.03 0.00 0.00 54.58 52.01 2k4n n ASN 67 Cb 0.00 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 2k4n n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k4n s VAL 68 N -1.32 3.64 -0.30 2.41 1.01 -1.26 -4.68 120.40 119.89 2k4n s VAL 68 Ca 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2k4n s VAL 68 Cb 0.18 -4.53 0.06 0.00 0.00 0.00 0.00 36.38 32.09 2k4n s VAL 68 CO 0.17 -1.45 -0.01 -0.75 0.00 0.00 0.00 175.10 173.06 2k4n s LYS 69 N 6.10 2.22 -0.24 2.72 2.47 -0.75 -5.03 119.74 127.22 2k4n s LYS 69 Ca 0.54 -1.42 -0.12 0.00 -1.56 0.00 0.00 55.97 53.41 2k4n s LYS 69 Cb -0.06 -3.14 -0.05 0.00 -1.46 0.00 0.00 37.83 33.12 2k4n s LYS 69 CO 0.04 -0.69 0.23 0.15 0.16 0.00 0.00 175.35 175.25 2k4n s LYS 70 N 1.16 4.06 -0.36 4.03 1.02 -1.26 -1.08 119.74 127.30 2k4n s LYS 70 Ca -0.03 -0.15 -0.06 0.00 0.02 0.00 0.00 55.97 55.75 2k4n s LYS 70 Cb -0.20 -3.57 0.06 0.00 -0.52 0.00 0.00 37.83 33.60 2k4n s LYS 70 CO -0.03 -0.04 0.14 0.08 -0.92 0.00 0.00 175.35 174.58 2k4n s VAL 71 N 1.34 3.65 -0.38 3.17 1.01 0.23 -4.94 120.40 124.48 2k4n s VAL 71 Ca 0.10 -1.42 -0.29 0.00 0.00 0.00 0.00 61.98 60.38 2k4n s VAL 71 Cb -0.14 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.06 2k4n s VAL 71 CO 0.07 -0.34 1.22 -0.54 0.00 0.00 0.00 175.10 175.50 2k4n s LYS 72 N 1.33 3.82 -0.23 2.72 1.02 -1.26 -2.50 119.74 124.64 2k4n s LYS 72 Ca 0.01 0.92 -0.12 0.00 0.02 0.00 0.00 55.97 56.80 2k4n s LYS 72 Cb -0.21 -3.88 -0.05 0.00 -0.52 0.00 0.00 37.83 33.17 2k4n s LYS 72 CO 0.01 -1.24 0.21 0.42 -0.92 0.00 0.00 175.35 173.83 2k4n s ILE 73 N 4.43 5.33 -0.20 2.17 1.01 0.02 -4.85 121.20 129.12 2k4n s ILE 73 Ca 0.52 0.31 -0.22 0.00 0.00 0.00 0.00 60.65 61.25 2k4n s ILE 73 Cb -0.12 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2k4n s ILE 73 CO 0.26 0.33 0.70 -0.75 0.00 0.00 0.00 174.94 175.49 2k4n s LYS 74 N 1.04 4.22 0.29 2.79 2.20 -1.26 -0.55 119.74 128.48 2k4n s LYS 74 Ca 0.10 0.75 0.09 0.00 -0.36 0.00 0.00 55.97 56.56 2k4n s LYS 74 Cb -0.14 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2k4n s LYS 74 CO 0.05 -0.30 0.03 0.15 -0.36 0.00 0.00 175.35 174.91 2k4n s LYS 75 N 2.11 2.29 0.05 4.03 1.02 0.73 -3.86 119.74 126.13 2k4n s LYS 75 Ca 0.32 -1.47 0.08 0.00 0.02 0.00 0.00 55.97 54.92 2k4n s LYS 75 Cb -0.16 -2.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 2k4n s LYS 75 CO 0.10 0.29 -0.22 0.54 -0.92 0.00 0.00 175.35 175.14 2k4n s VAL 76 N -2.36 2.47 0.12 3.17 0.11 -0.51 -1.25 120.40 122.15 2k4n s VAL 76 Ca 0.33 -1.33 -0.18 0.00 -2.93 0.00 0.00 61.98 57.87 2k4n s VAL 76 Cb -0.05 -2.02 0.04 0.00 -1.53 0.00 0.00 36.38 32.82 2k4n s VAL 76 CO 0.20 0.32 0.44 -0.72 -3.33 0.00 0.00 175.10 172.02 2k4n s TYR 77 N -0.89 -0.28 0.07 1.54 1.13 0.87 -0.31 117.35 119.49 2k4n s TYR 77 Ca 0.13 0.01 0.04 0.00 -1.41 0.00 0.00 57.07 55.84 2k4n s TYR 77 Cb -0.10 0.32 -0.03 0.00 -1.10 0.00 0.00 41.96 41.04 2k4n s TYR 77 CO 0.04 -0.72 -0.10 -0.59 -2.51 0.00 0.00 175.55 171.67 2k4n s PHE 78 N -3.68 0.97 -0.11 -3.49 -0.71 -0.93 -1.35 117.98 108.69 2k4n s PHE 78 Ca 0.02 -0.56 -0.04 0.00 -1.04 0.00 0.00 56.93 55.31 2k4n s PHE 78 Cb 0.01 -0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 2k4n s PHE 78 CO -0.11 -0.02 0.05 -1.21 -1.34 0.00 0.00 175.22 172.59 2k4n s GLU 79 N -2.15 3.23 0.00 1.99 2.02 -1.26 -0.63 118.70 121.90 2k4n s GLU 79 Ca -0.01 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.66 2k4n s GLU 79 Cb -0.07 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.21 2k4n s GLU 79 CO 0.01 0.68 0.00 0.25 0.02 0.00 0.00 175.26 176.21 2k4n n THR 80 N 2.26 0.00 0.18 3.63 -2.24 0.52 -4.96 114.28 113.67 2k4n n THR 80 Ca -0.19 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.63 2k4n n THR 80 Cb 0.54 -1.12 0.34 0.00 -2.10 0.00 0.00 70.33 67.99 2k4n n THR 80 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k4n h LEU 81 N 0.00 0.00 -2.98 3.22 -0.00 -1.87 -3.10 115.31 110.58 2k4n h LEU 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2k4n h LEU 81 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2k4n h LEU 81 CO 0.00 0.41 0.00 0.47 -0.00 0.00 0.00 178.44 179.32 2k4n n ASP 82 N -3.80 4.68 -0.81 -0.43 8.00 -1.26 -4.85 116.55 118.08 2k4n n ASP 82 Ca -0.01 -2.70 -0.11 0.00 0.71 0.00 0.00 54.79 52.68 2k4n n ASP 82 Cb 0.47 -0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 40.89 2k4n n ASP 82 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k4n n ASN 83 N 0.53 -4.89 -4.79 -2.24 3.02 -1.17 -4.97 115.26 100.75 2k4n n ASN 83 Ca 0.22 0.26 -0.39 0.00 -0.03 0.00 0.00 54.58 54.64 2k4n n ASN 83 Cb 0.98 -3.33 -0.06 0.00 -0.61 0.00 0.00 39.78 36.76 2k4n n ASN 83 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k4n s VAL 84 N -2.19 4.76 -0.31 2.41 1.01 -1.26 -4.84 120.40 119.98 2k4n s VAL 84 Ca 0.00 1.30 -0.07 0.00 0.00 0.00 0.00 61.98 63.21 2k4n s VAL 84 Cb 0.00 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2k4n s VAL 84 CO 0.00 0.49 0.10 -0.13 0.00 0.00 0.00 175.10 175.56 2k4n s ARG 85 N -0.73 3.03 -0.64 2.72 0.52 0.13 -0.36 118.95 123.62 2k4n s ARG 85 Ca 0.31 -0.91 -0.25 0.00 -0.52 0.00 0.00 55.73 54.36 2k4n s ARG 85 Cb -0.19 -3.43 0.04 0.00 0.52 0.00 0.00 34.95 31.89 2k4n s ARG 85 CO 0.19 -0.49 1.10 0.08 0.02 0.00 0.00 175.30 176.20 2k4n s VAL 86 N 1.50 4.09 -0.15 3.52 1.01 0.20 -0.31 120.40 130.26 2k4n s VAL 86 Ca 0.02 0.29 -0.08 0.00 0.00 0.00 0.00 61.98 62.21 2k4n s VAL 86 Cb -0.18 -4.73 -0.04 0.00 0.00 0.00 0.00 36.38 31.43 2k4n s VAL 86 CO 0.03 -1.47 0.13 -0.69 0.00 0.00 0.00 175.10 173.10 2k4n s VAL 87 N 4.73 5.41 0.07 2.92 1.01 0.63 -2.18 120.40 132.98 2k4n s VAL 87 Ca 0.32 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 2k4n s VAL 87 Cb -0.11 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2k4n s VAL 87 CO 0.17 0.55 0.20 -0.89 0.00 0.00 0.00 175.10 175.13 2k4n s THR 88 N -0.51 0.13 -0.00 3.92 2.01 0.58 -2.33 115.64 119.44 2k4n s THR 88 Ca 0.12 -1.04 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 2k4n s THR 88 Cb -0.12 -1.14 -0.06 0.00 0.01 0.00 0.00 72.50 71.19 2k4n s THR 88 CO 0.02 -0.57 1.59 -0.62 -0.69 0.00 0.00 174.62 174.35 2k4n s ASP 89 N -2.50 6.69 0.46 3.53 2.15 -1.26 -1.42 116.67 124.31 2k4n s ASP 89 Ca 0.00 2.29 0.25 0.00 0.43 0.00 0.00 52.55 55.52 2k4n s ASP 89 Cb 0.02 -2.55 0.51 0.00 -0.30 0.00 0.00 42.92 40.60 2k4n s ASP 89 CO -0.08 -0.86 1.67 0.22 -0.17 0.00 0.00 175.17 175.95 2k4n h TYR 90 N 8.73 0.00 0.81 -5.34 3.20 -1.87 -2.56 116.97 119.93 2k4n h TYR 90 Ca -0.40 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 2k4n h TYR 90 Cb 1.18 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.46 2k4n h TYR 90 CO 0.82 0.01 -0.39 0.77 -1.64 0.00 0.00 178.16 177.73 2k4n h SER 91 N 0.00 -0.92 0.60 -2.11 0.02 -1.90 -0.55 113.55 108.68 2k4n h SER 91 Ca -0.00 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 2k4n h SER 91 Cb 0.93 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 2k4n h SER 91 CO 0.00 -0.61 -0.52 -0.33 -1.14 0.00 0.00 176.83 174.24 2k4n h GLU 92 N -1.18 0.00 -0.53 3.45 5.08 -1.98 -2.54 114.58 116.87 2k4n h GLU 92 Ca -0.11 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2k4n h GLU 92 Cb 0.83 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 2k4n h GLU 92 CO 0.18 0.52 0.31 0.35 -1.00 0.00 0.00 179.01 179.37 2k4n h PHE 93 N 0.00 0.57 -0.87 4.33 3.57 -1.40 0.21 116.94 123.35 2k4n h PHE 93 Ca -0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2k4n h PHE 93 Cb 0.96 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 2k4n h PHE 93 CO 0.00 0.31 0.47 1.96 -2.23 0.00 0.00 178.31 178.82 2k4n h GLN 94 N 0.60 1.22 -0.63 1.11 1.08 -0.86 -1.00 115.11 116.64 2k4n h GLN 94 Ca 0.22 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 2k4n h GLN 94 Cb 0.06 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 2k4n h GLN 94 CO -0.11 0.90 0.10 0.87 -0.95 0.00 0.00 178.83 179.63 2k4n h LYS 95 N 1.22 1.04 -0.03 1.46 1.57 -0.91 -2.60 116.57 118.32 2k4n h LYS 95 Ca 0.31 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 2k4n h LYS 95 Cb 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2k4n h LYS 95 CO -0.05 0.97 -0.57 0.82 -0.57 0.00 0.00 179.45 180.05 2k4n h ILE 96 N 0.96 1.40 -0.68 1.86 2.04 -0.34 -1.18 117.51 121.56 2k4n h ILE 96 Ca 0.19 -1.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 2k4n h ILE 96 Cb 0.43 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 2k4n h ILE 96 CO 0.01 0.56 0.37 -0.07 0.00 0.00 0.00 178.15 179.02 2k4n h LEU 97 N 0.07 0.86 -0.89 1.44 3.38 -0.93 -0.35 115.31 118.89 2k4n h LEU 97 Ca -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2k4n h LEU 97 Cb 1.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2k4n h LEU 97 CO 0.08 0.71 -0.05 0.11 0.09 0.00 0.00 178.44 179.38 2k4n h LYS 98 N 0.94 0.00 -0.07 1.13 1.57 -1.23 0.37 116.57 119.27 2k4n h LYS 98 Ca 0.24 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.84 2k4n h LYS 98 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.37 2k4n h LYS 98 CO -0.04 0.05 -0.64 -0.22 -0.57 0.00 0.00 179.45 178.03 2k4n h LYS 99 N 0.00 0.56 -0.02 3.15 3.64 -0.13 -3.29 116.57 120.48 2k4n h LYS 99 Ca -0.00 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2k4n h LYS 99 Cb 0.74 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2k4n h LYS 99 CO 0.01 1.13 -0.39 0.54 -2.27 0.00 0.00 179.45 178.47 2k4n n ARG 100 N -4.14 1.32 -1.77 1.90 1.74 -0.25 -4.99 116.66 110.48 2k4n n ARG 100 Ca -0.09 -1.06 -0.02 0.00 -0.77 0.00 0.00 57.85 55.90 2k4n n ARG 100 Cb 0.68 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.65 2k4n n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k4n n GLY 101 N 1.40 0.57 3.08 -0.13 0.00 -0.19 -5.06 105.19 104.87 2k4n n GLY 101 Ca 0.10 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2k4n n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4n s THR 102 N -3.06 2.04 0.70 2.61 2.01 0.11 -5.02 115.64 115.04 2k4n s THR 102 Ca 0.07 -1.21 -0.08 0.00 0.31 0.00 0.00 61.69 60.78 2k4n s THR 102 Cb -0.01 -2.00 0.05 0.00 0.01 0.00 0.00 72.50 70.55 2k4n s THR 102 CO 0.11 0.28 1.03 -0.54 -0.69 0.00 0.00 174.62 174.81 2k4n s LYS 103 N 1.23 2.37 0.35 4.92 1.02 -1.26 -4.56 119.74 123.81 2k4n s LYS 103 Ca -0.01 -0.06 0.23 0.00 0.02 0.00 0.00 55.97 56.15 2k4n s LYS 103 Cb -0.16 -2.13 0.27 0.00 -0.52 0.00 0.00 37.83 35.28 2k4n s LYS 103 CO -0.09 -1.17 1.44 -0.07 -0.92 0.00 0.00 175.35 174.54 2k4n h LEU 104 N -0.60 0.00 -9.07 3.17 3.38 -2.00 -3.44 115.31 106.76 2k4n h LEU 104 Ca -0.45 -0.01 -0.59 0.00 0.09 0.00 0.00 57.88 56.92 2k4n h LEU 104 Cb 1.30 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 2k4n h LEU 104 CO 0.62 0.00 0.54 -1.61 0.09 0.00 0.00 178.44 178.08 2k4n s GLU 105 N -3.25 4.22 0.46 1.13 0.41 -1.26 -5.05 118.70 115.36 2k4n s GLU 105 Ca 0.05 1.06 -0.12 0.00 -0.41 0.00 0.00 54.97 55.55 2k4n s GLU 105 Cb 0.07 -3.63 -0.07 0.00 -1.78 0.00 0.00 34.13 28.72 2k4n s GLU 105 CO 0.70 -0.52 0.85 -1.01 -0.49 0.00 0.00 175.26 174.80 2k4n s HIS 106 N 2.83 3.48 0.18 1.61 3.76 -1.26 -4.98 115.29 120.91 2k4n s HIS 106 Ca 0.38 1.18 0.17 0.00 -0.15 0.00 0.00 55.06 56.63 2k4n s HIS 106 Cb -0.15 -2.56 0.58 0.00 1.11 0.00 0.00 32.58 31.55 2k4n s HIS 106 CO 0.08 -0.23 1.69 0.45 -0.85 0.00 0.00 174.74 175.88 2k4n h HIS 107 N 1.00 0.00 -3.28 1.40 -0.00 -1.99 -3.40 115.15 108.88 2k4n h HIS 107 Ca -0.47 0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.37 2k4n h HIS 107 Cb 1.19 0.00 -0.35 0.00 -0.00 0.00 0.00 27.41 28.24 2k4n h HIS 107 CO 0.62 0.44 -0.81 -1.01 -0.00 0.00 0.00 177.93 177.17 2k4n s HIS 108 N -3.58 1.56 0.34 2.45 3.76 -1.26 -5.14 115.29 113.41 2k4n s HIS 108 Ca -0.00 -0.71 -0.00 0.00 -0.15 0.00 0.00 55.06 54.19 2k4n s HIS 108 Cb 0.11 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.56 2k4n s HIS 108 CO 0.71 -0.43 0.55 -1.01 -0.85 0.00 0.00 174.74 173.71 2k4n s HIS 109 N 1.22 3.50 -2.07 1.40 0.09 -1.26 -4.98 115.29 113.19 2k4n s HIS 109 Ca -0.04 0.41 0.17 0.00 -0.00 0.00 0.00 55.06 55.60 2k4n s HIS 109 Cb -0.14 -1.94 0.49 0.00 -0.00 0.00 0.00 32.58 31.00 2k4n s HIS 109 CO -0.03 0.12 1.41 0.72 -0.00 0.00 0.00 174.74 176.95 2k4n n HIS 110 N -1.66 0.64 0.50 1.40 8.25 -1.26 -5.19 115.22 117.90 2k4n n HIS 110 Ca -0.04 -0.32 0.06 0.00 -0.26 0.00 0.00 57.72 57.16 2k4n n HIS 110 Cb 0.56 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.72 2k4n n HIS 110 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70