#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4n s ASN 2 N 0.00 5.57 0.30 3.17 -0.87 -1.26 -3.05 114.94 118.80 2k4n s ASN 2 Ca 0.00 -0.43 0.02 0.00 -1.57 0.00 0.00 52.86 50.89 2k4n s ASN 2 Cb 0.00 -0.85 0.48 0.00 -0.02 0.00 0.00 41.25 40.86 2k4n s ASN 2 CO 0.00 -0.58 1.80 0.28 -2.57 0.00 0.00 177.10 176.03 2k4n h SER 3 N 0.88 0.55 -0.87 -1.22 0.02 -1.93 -2.62 113.55 108.37 2k4n h SER 3 Ca -0.43 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 60.43 2k4n h SER 3 Cb 1.27 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 2k4n h SER 3 CO 0.52 0.67 0.56 -0.08 -1.14 0.00 0.00 176.83 177.36 2k4n h GLU 4 N 0.53 1.04 -0.60 3.45 4.81 -1.98 -1.71 114.58 120.12 2k4n h GLU 4 Ca 0.10 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2k4n h GLU 4 Cb 0.47 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 2k4n h GLU 4 CO 0.03 0.69 0.28 0.28 -0.73 0.00 0.00 179.01 179.55 2k4n h VAL 5 N 1.07 0.88 -0.53 0.32 2.07 -1.87 -0.17 116.25 118.03 2k4n h VAL 5 Ca 0.35 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 2k4n h VAL 5 Cb 0.02 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2k4n h VAL 5 CO -0.12 0.09 0.22 0.40 0.02 0.00 0.00 177.57 178.18 2k4n h ILE 6 N 0.51 1.21 -0.31 4.57 2.04 -1.31 0.65 117.51 124.87 2k4n h ILE 6 Ca 0.28 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 2k4n h ILE 6 Cb 0.26 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2k4n h ILE 6 CO -0.23 0.25 0.18 0.11 0.00 0.00 0.00 178.15 178.46 2k4n h LYS 7 N 0.71 0.43 -0.19 2.37 1.57 -0.71 0.50 116.57 121.24 2k4n h LYS 7 Ca 0.18 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2k4n h LYS 7 Cb 0.18 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2k4n h LYS 7 CO -0.02 0.36 0.12 0.93 -0.57 0.00 0.00 179.45 180.27 2k4n h GLU 8 N 0.39 0.26 -0.83 3.15 4.39 -0.82 -1.97 114.58 119.15 2k4n h GLU 8 Ca 0.11 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.80 2k4n h GLU 8 Cb 0.04 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 2k4n h GLU 8 CO -0.02 0.20 0.55 0.35 -1.16 0.00 0.00 179.01 178.93 2k4n h PHE 9 N 0.24 1.03 -0.53 4.33 3.57 -0.56 0.17 116.94 125.19 2k4n h PHE 9 Ca 0.07 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 2k4n h PHE 9 Cb 0.00 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 2k4n h PHE 9 CO -0.05 0.64 0.03 -0.07 -2.23 0.00 0.00 178.31 176.62 2k4n h LEU 10 N 1.10 0.85 -0.75 0.59 3.38 -0.61 -1.25 115.31 118.62 2k4n h LEU 10 Ca 0.31 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 2k4n h LEU 10 Cb -0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2k4n h LEU 10 CO -0.07 0.90 -0.46 -0.08 0.09 0.00 0.00 178.44 178.82 2k4n h GLU 11 N 0.83 0.38 -0.65 1.13 4.81 -0.48 0.25 114.58 120.84 2k4n h GLU 11 Ca 0.16 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2k4n h GLU 11 Cb 0.46 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2k4n h GLU 11 CO 0.02 0.77 0.43 -0.44 -0.73 0.00 0.00 179.01 179.05 2k4n h ASP 12 N 0.31 0.73 0.54 1.04 3.32 -0.06 -2.16 116.42 120.13 2k4n h ASP 12 Ca 0.02 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k4n h ASP 12 Cb 0.93 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2k4n h ASP 12 CO 0.08 0.52 -0.21 2.30 -1.72 0.00 0.00 179.24 180.21 2k4n n ILE 13 N -4.65 0.00 -1.54 0.35 -5.35 -0.53 -4.93 119.36 102.71 2k4n n ILE 13 Ca 0.05 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 2k4n n ILE 13 Cb 0.03 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 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 1.40 0.46 3.71 3.28 0.00 -0.17 -5.05 105.19 108.83 2k4n n GLY 14 Ca 0.10 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.13 2.92 0.03 1.61 2.56 0.69 -4.99 118.70 118.38 2k4n s GLU 15 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 54.97 54.45 2k4n s GLU 15 Cb 0.00 -2.76 -0.04 0.00 2.00 0.00 0.00 34.13 33.33 2k4n s GLU 15 CO 0.00 0.65 0.14 0.34 -0.56 0.00 0.00 175.26 175.84 2k4n s ASP 16 N -1.41 6.01 0.19 -1.70 2.15 -1.26 -4.16 116.67 116.49 2k4n s ASP 16 Ca 0.19 0.20 0.11 0.00 0.43 0.00 0.00 52.55 53.47 2k4n s ASP 16 Cb -0.12 -1.78 -0.04 0.00 -0.30 0.00 0.00 42.92 40.68 2k4n s ASP 16 CO 0.09 0.22 -0.23 -0.72 -0.17 0.00 0.00 175.17 174.35 2k4n s TYR 17 N -1.36 2.25 -0.61 -5.34 -0.85 -1.26 -4.97 117.35 105.21 2k4n s TYR 17 Ca 0.29 -0.37 -0.14 0.00 -0.52 0.00 0.00 57.07 56.33 2k4n s TYR 17 Cb -0.12 -1.11 0.15 0.00 0.38 0.00 0.00 41.96 41.26 2k4n s TYR 17 CO 0.21 0.49 0.55 0.42 -1.52 0.00 0.00 175.55 175.70 2k4n s ILE 18 N -1.72 5.12 -0.10 -3.49 1.01 -1.03 -4.99 121.20 116.00 2k4n s ILE 18 Ca 0.20 -1.87 -0.02 0.00 0.00 0.00 0.00 60.65 58.96 2k4n s ILE 18 Cb -0.08 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 2k4n s ILE 18 CO 0.10 -0.90 -0.03 -0.70 0.00 0.00 0.00 174.94 173.41 2k4n s GLU 19 N 1.10 3.09 0.19 2.79 2.12 -1.26 -0.35 118.70 126.38 2k4n s GLU 19 Ca 0.08 -0.48 0.01 0.00 0.36 0.00 0.00 54.97 54.94 2k4n s GLU 19 Cb -0.24 -2.76 0.01 0.00 0.26 0.00 0.00 34.13 31.40 2k4n s GLU 19 CO -0.01 0.57 0.05 1.28 -0.54 0.00 0.00 175.26 176.61 2k4n n LEU 20 N 2.52 0.00 -4.57 2.70 4.77 0.17 -4.99 117.00 117.61 2k4n n LEU 20 Ca -0.18 -1.14 -0.39 0.00 -0.03 0.00 0.00 56.01 54.27 2k4n n LEU 20 Cb 0.53 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 2k4n n LEU 20 CO 0.29 -0.23 1.90 -1.61 -1.33 0.00 0.00 177.39 176.40 2k4n s GLU 21 N -2.73 2.52 -1.37 3.23 2.02 -1.26 -1.88 118.70 119.24 2k4n s GLU 21 Ca 0.04 1.50 0.00 0.00 0.02 0.00 0.00 54.97 56.52 2k4n s GLU 21 Cb -0.00 -4.48 0.00 0.00 0.10 0.00 0.00 34.13 29.75 2k4n s GLU 21 CO 0.02 -2.81 0.00 0.09 0.02 0.00 0.00 175.26 172.59 2k4n n ASN 22 N 14.05 -4.53 -3.75 -0.19 4.13 -1.26 -4.99 115.26 118.72 2k4n n ASN 22 Ca 0.32 0.23 -0.26 0.00 1.68 0.00 0.00 54.58 56.56 2k4n n ASN 22 Cb 0.51 -3.38 -0.17 0.00 -1.54 0.00 0.00 39.78 35.21 2k4n n ASN 22 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2k4n s GLU 23 N -3.62 0.66 -0.39 3.52 2.02 -0.79 -0.42 118.70 119.69 2k4n s GLU 23 Ca 0.00 -0.22 -0.12 0.00 0.02 0.00 0.00 54.97 54.65 2k4n s GLU 23 Cb 0.00 -1.69 0.03 0.00 0.10 0.00 0.00 34.13 32.57 2k4n s GLU 23 CO 0.00 -0.51 0.24 0.42 0.02 0.00 0.00 175.26 175.43 2k4n s ILE 24 N 1.90 4.74 -0.26 -1.63 1.01 0.96 0.42 121.20 128.35 2k4n s ILE 24 Ca 0.01 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.64 2k4n s ILE 24 Cb -0.15 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 2k4n s ILE 24 CO -0.07 -0.28 0.50 -1.00 0.00 0.00 0.00 174.94 174.09 2k4n s HIS 25 N 1.58 3.27 0.17 3.97 3.76 0.53 -0.31 115.29 128.26 2k4n s HIS 25 Ca 0.03 0.63 0.09 0.00 -0.15 0.00 0.00 55.06 55.65 2k4n s HIS 25 Cb -0.19 -2.71 -0.04 0.00 1.11 0.00 0.00 32.58 30.75 2k4n s HIS 25 CO 0.07 -0.26 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.00 2k4n s LEU 26 N 2.24 2.45 0.27 0.89 1.43 -0.56 -2.45 118.68 122.95 2k4n s LEU 26 Ca 0.21 -0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 2k4n s LEU 26 Cb -0.16 -0.84 -0.10 0.00 0.03 0.00 0.00 46.19 45.12 2k4n s LEU 26 CO 0.09 -0.03 1.39 -0.54 0.23 0.00 0.00 176.35 177.49 2k4n s LYS 27 N -2.84 4.30 0.44 1.70 1.02 -1.26 -4.46 119.74 118.63 2k4n s LYS 27 Ca 0.17 2.27 0.15 0.00 0.02 0.00 0.00 55.97 58.57 2k4n s LYS 27 Cb -0.06 -3.10 1.05 0.00 -0.52 0.00 0.00 37.83 35.20 2k4n s LYS 27 CO 0.07 -0.35 1.98 -1.35 -0.92 0.00 0.00 175.35 174.78 2k4n h PRO 28 N 4.55 0.37 -0.53 -1.68 0.11 -1.94 0.43 132.00 133.31 2k4n h PRO 28 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2k4n h PRO 28 Cb 1.22 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2k4n h PRO 28 CO 0.74 0.25 0.27 1.49 -0.21 0.00 0.00 178.00 180.54 2k4n h GLU 29 N 0.38 0.76 0.10 1.05 4.81 -1.91 -2.46 114.58 117.32 2k4n h GLU 29 Ca 0.28 -0.10 -0.27 0.00 -0.13 0.00 0.00 59.36 59.13 2k4n h GLU 29 Cb 0.58 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2k4n h GLU 29 CO -0.07 0.61 -1.29 0.28 -0.73 0.00 0.00 179.01 177.80 2k4n h VAL 30 N 0.72 1.43 -0.96 0.32 2.07 -1.67 -3.34 116.25 114.81 2k4n h VAL 30 Ca 0.19 -3.04 0.10 0.00 0.82 0.00 0.00 66.70 64.77 2k4n h VAL 30 Cb 0.09 2.87 -0.07 0.00 -1.52 0.00 0.00 31.29 32.66 2k4n h VAL 30 CO -0.03 0.87 0.61 0.15 0.02 0.00 0.00 177.57 179.20 2k4n h PHE 31 N 0.06 1.07 -0.87 1.57 3.04 0.03 -1.21 116.94 120.63 2k4n h PHE 31 Ca -0.15 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.87 2k4n h PHE 31 Cb 1.96 -0.34 -0.05 0.00 2.56 0.00 0.00 35.95 40.07 2k4n h PHE 31 CO 0.05 0.47 0.57 -0.92 -2.02 0.00 0.00 178.31 176.47 2k4n h TYR 32 N 0.97 1.04 0.11 0.41 3.20 -1.57 0.44 116.97 121.56 2k4n h TYR 32 Ca 0.45 0.03 -0.26 0.00 3.14 0.00 0.00 58.73 62.08 2k4n h TYR 32 Cb 0.41 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2k4n h TYR 32 CO -0.00 0.59 -1.20 0.93 -1.64 0.00 0.00 178.16 176.84 2k4n h GLU 33 N 1.06 0.25 -0.52 1.82 5.08 -1.46 -2.77 114.58 118.04 2k4n h GLU 33 Ca 0.35 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2k4n h GLU 33 Cb 0.07 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2k4n h GLU 33 CO -0.11 1.19 0.13 0.28 -1.00 0.00 0.00 179.01 179.50 2k4n h VAL 34 N 0.08 1.24 -0.91 3.13 2.07 -0.57 0.13 116.25 121.41 2k4n h VAL 34 Ca -0.12 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.61 2k4n h VAL 34 Cb 1.92 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 2k4n h VAL 34 CO 0.19 0.31 0.58 -0.25 0.02 0.00 0.00 177.57 178.42 2k4n h TRP 35 N 0.72 1.08 -0.28 1.57 7.01 -0.18 0.42 115.95 126.28 2k4n h TRP 35 Ca 0.16 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.10 2k4n h TRP 35 Cb 0.33 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 2k4n h TRP 35 CO 0.02 0.57 -0.20 0.87 -2.79 0.00 0.00 178.44 176.91 2k4n h LYS 36 N 1.07 0.62 -0.86 2.65 1.79 -1.17 -0.14 116.57 120.54 2k4n h LYS 36 Ca 0.39 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2k4n h LYS 36 Cb 0.12 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 2k4n h LYS 36 CO -0.16 0.89 0.51 -0.92 -1.08 0.00 0.00 179.45 178.70 2k4n h TYR 37 N 0.36 1.13 0.00 -1.35 3.20 0.01 -2.36 116.97 117.95 2k4n h TYR 37 Ca 0.05 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2k4n h TYR 37 Cb 0.74 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2k4n h TYR 37 CO 0.07 0.76 0.00 1.33 -1.64 0.00 0.00 178.16 178.67 2k4n n VAL 38 N -4.42 0.00 0.00 1.81 0.24 0.07 -4.79 118.33 111.23 2k4n n VAL 38 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 2k4n n VAL 38 Cb 0.06 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 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 0.54 0.64 2.97 7.63 0.00 -0.89 -4.69 105.19 111.39 2k4n n GLY 39 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.42 -1.87 -1.91 1.61 2.13 -0.07 -5.01 120.64 114.11 2k4n n GLU 40 Ca 0.00 1.80 -0.16 0.00 0.66 0.00 0.00 57.16 59.46 2k4n n GLU 40 Cb 0.00 -5.64 0.09 0.00 0.27 0.00 0.00 31.44 26.16 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 -1.03 0.05 -2.36 5.31 -0.04 -1.26 -5.06 135.00 130.61 2k4n n PRO 41 Ca 0.05 -1.84 -0.41 0.00 -0.04 0.00 0.00 63.50 61.26 2k4n n PRO 41 Cb 0.48 -0.49 -0.03 0.00 -0.04 0.00 0.00 33.50 33.42 2k4n n PRO 41 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2k4n s GLU 42 N -4.31 4.49 -0.11 0.54 0.41 -1.26 -5.02 118.70 113.44 2k4n s GLU 42 Ca 0.46 1.90 -0.09 0.00 -0.41 0.00 0.00 54.97 56.83 2k4n s GLU 42 Cb -0.02 -3.22 -0.04 0.00 -1.78 0.00 0.00 34.13 29.06 2k4n s GLU 42 CO 0.31 -0.07 0.20 -0.51 -0.49 0.00 0.00 175.26 174.69 2k4n s LEU 43 N -0.45 4.37 -0.05 1.80 1.43 -1.26 -4.73 118.68 119.80 2k4n s LEU 43 Ca 0.52 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 2k4n s LEU 43 Cb -0.33 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 2k4n s LEU 43 CO 0.38 0.34 -0.20 -0.54 0.23 0.00 0.00 176.35 176.56 2k4n s LYS 44 N -0.75 2.42 0.04 1.70 1.02 0.00 -4.96 119.74 119.21 2k4n s LYS 44 Ca 0.16 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.35 2k4n s LYS 44 Cb -0.13 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 2k4n s LYS 44 CO 0.05 0.53 0.07 0.95 -0.92 0.00 0.00 175.35 176.04 2k4n s THR 45 N -0.52 4.59 0.14 2.17 -4.23 -1.26 -0.13 115.64 116.39 2k4n s THR 45 Ca 0.07 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 60.05 2k4n s THR 45 Cb -0.11 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 2k4n s THR 45 CO 0.01 0.25 -0.14 -0.72 -0.54 0.00 0.00 174.62 173.48 2k4n s TYR 46 N -1.28 1.44 -0.44 3.99 1.13 0.22 -4.98 117.35 117.43 2k4n s TYR 46 Ca 0.26 -0.58 -0.12 0.00 -1.41 0.00 0.00 57.07 55.21 2k4n s TYR 46 Cb -0.12 -0.74 0.07 0.00 -1.10 0.00 0.00 41.96 40.08 2k4n s TYR 46 CO 0.17 0.17 0.33 0.08 -2.51 0.00 0.00 175.55 173.79 2k4n s VAL 47 N -2.41 4.74 -0.56 -3.49 1.01 -1.26 -1.64 120.40 116.80 2k4n s VAL 47 Ca 0.12 -1.22 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 2k4n s VAL 47 Cb -0.03 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.58 2k4n s VAL 47 CO 0.03 -0.54 0.64 -0.51 0.00 0.00 0.00 175.10 174.72 2k4n s ILE 48 N 1.54 4.92 -0.86 2.22 2.07 0.12 -4.90 121.20 126.31 2k4n s ILE 48 Ca 0.03 -0.99 -0.22 0.00 -1.41 0.00 0.00 60.65 58.07 2k4n s ILE 48 Cb -0.24 -4.41 0.08 0.00 0.13 0.00 0.00 42.46 38.03 2k4n s ILE 48 CO 0.04 -0.99 1.18 -1.61 -1.91 0.00 0.00 174.94 171.65 2k4n s GLU 49 N 2.44 3.42 -0.14 3.50 2.02 -1.26 -1.06 118.70 127.61 2k4n s GLU 49 Ca 0.10 -1.18 -0.06 0.00 0.02 0.00 0.00 54.97 53.85 2k4n s GLU 49 Cb -0.24 -4.76 -0.04 0.00 0.10 0.00 0.00 34.13 29.19 2k4n s GLU 49 CO 0.07 -1.94 0.08 0.34 0.02 0.00 0.00 175.26 173.83 2k4n s ASP 50 N 3.99 5.81 -0.47 -0.19 2.15 0.06 -4.78 116.67 123.24 2k4n s ASP 50 Ca 0.33 0.23 -0.27 0.00 0.43 0.00 0.00 52.55 53.27 2k4n s ASP 50 Cb -0.07 -1.88 0.03 0.00 -0.30 0.00 0.00 42.92 40.70 2k4n s ASP 50 CO -0.02 0.30 1.04 -1.61 -0.17 0.00 0.00 175.17 174.72 2k4n s GLU 51 N -0.40 3.63 0.00 4.34 2.02 -1.26 -0.04 118.70 126.99 2k4n s GLU 51 Ca 0.10 0.38 0.00 0.00 0.02 0.00 0.00 54.97 55.47 2k4n s GLU 51 Cb -0.12 -3.92 0.00 0.00 0.10 0.00 0.00 34.13 30.19 2k4n s GLU 51 CO 0.02 -1.31 0.00 0.44 0.02 0.00 0.00 175.26 174.42 2k4n n ILE 52 N 6.66 0.00 -3.62 -1.63 -5.35 0.71 -4.07 119.36 112.06 2k4n n ILE 52 Ca 0.09 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.45 2k4n n ILE 52 Cb 0.49 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.27 2k4n n ILE 52 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2k4n s VAL 53 N 0.00 -0.47 -0.55 7.28 -7.23 -1.26 -4.95 120.40 113.22 2k4n s VAL 53 Ca 0.00 0.20 -0.19 0.00 -1.81 0.00 0.00 61.98 60.18 2k4n s VAL 53 Cb 0.00 -0.53 0.08 0.00 0.56 0.00 0.00 36.38 36.49 2k4n s VAL 53 CO 0.00 0.06 0.64 -0.70 -0.31 0.00 0.00 175.10 174.79 2k4n s GLU 54 N 2.46 3.07 0.30 4.82 2.12 -1.26 -5.06 118.70 125.15 2k4n s GLU 54 Ca 0.02 -1.18 -0.04 0.00 0.36 0.00 0.00 54.97 54.14 2k4n s GLU 54 Cb -0.13 -4.19 -0.05 0.00 0.26 0.00 0.00 34.13 30.02 2k4n s GLU 54 CO -0.10 -1.37 0.55 -1.25 -0.54 0.00 0.00 175.26 172.55 2k4n s PRO 55 N 2.52 3.60 0.00 4.30 0.04 -1.26 -4.99 135.00 139.22 2k4n s PRO 55 Ca 0.12 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2k4n s PRO 55 Cb -0.23 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.66 2k4n s PRO 55 CO 0.08 0.21 0.27 0.41 0.04 0.00 0.00 177.00 178.01 2k4n n GLY 56 N -1.06 -0.19 0.21 0.56 0.00 -1.26 -4.73 105.19 98.72 2k4n n GLY 56 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2k4n n GLY 56 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k4n h GLU 57 N 0.00 0.00 -5.30 1.61 4.39 -2.05 -3.45 114.58 109.78 2k4n h GLU 57 Ca 0.00 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.27 2k4n h GLU 57 Cb 0.53 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 28.94 2k4n h GLU 57 CO 0.00 0.08 -0.79 0.71 -1.16 0.00 0.00 179.01 177.85 2k4n s TYR 58 N -3.23 1.21 -0.38 4.33 2.02 -1.26 -5.11 117.35 114.93 2k4n s TYR 58 Ca 0.06 -0.37 -0.28 0.00 -0.37 0.00 0.00 57.07 56.10 2k4n s TYR 58 Cb 0.06 -0.71 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 2k4n s TYR 58 CO 0.67 0.04 1.07 -0.51 -1.57 0.00 0.00 175.55 175.25 2k4n s ASP 59 N -1.25 6.80 -0.07 2.29 1.01 -1.26 -4.94 116.67 119.24 2k4n s ASP 59 Ca 0.01 0.79 -0.29 0.00 0.71 0.00 0.00 52.55 53.76 2k4n s ASP 59 Cb -0.08 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 2k4n s ASP 59 CO 0.01 -1.00 1.86 -2.84 0.21 0.00 0.00 175.17 173.42 2k4n s PRO 60 N 3.88 3.94 -0.56 8.23 0.02 -1.26 -4.93 135.00 144.32 2k4n s PRO 60 Ca 0.45 2.26 -0.27 0.00 0.02 0.00 0.00 61.00 63.46 2k4n s PRO 60 Cb -0.10 -4.13 -0.01 0.00 0.02 0.00 0.00 34.50 30.28 2k4n s PRO 60 CO 0.21 -1.15 1.68 -2.14 -0.33 0.00 0.00 177.00 175.27 2k4n s PRO 61 N 4.67 2.97 0.29 5.54 0.02 -1.26 -4.96 135.00 142.27 2k4n s PRO 61 Ca 0.83 0.64 -0.29 0.00 0.02 0.00 0.00 61.00 62.20 2k4n s PRO 61 Cb -0.36 -4.27 -0.10 0.00 0.02 0.00 0.00 34.50 29.79 2k4n s PRO 61 CO 0.35 -2.33 1.33 -1.21 -0.33 0.00 0.00 177.00 174.82 2k4n s GLU 62 N 6.29 4.35 0.14 5.54 2.02 -1.26 -5.04 118.70 130.74 2k4n s GLU 62 Ca 0.63 2.20 0.09 0.00 0.02 0.00 0.00 54.97 57.91 2k4n s GLU 62 Cb -0.13 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 2k4n s GLU 62 CO 0.24 -0.23 -0.22 -1.64 0.02 0.00 0.00 175.26 173.43 2k4n s MET 63 N -1.23 1.28 0.00 1.61 -1.94 -1.26 -5.04 119.30 112.72 2k4n s MET 63 Ca 0.52 -1.33 0.25 0.00 -1.71 0.00 0.00 55.69 53.42 2k4n s MET 63 Cb -0.39 -1.53 1.41 0.00 2.01 0.00 0.00 34.83 36.32 2k4n s MET 63 CO 0.48 0.34 1.91 1.63 -0.01 0.00 0.00 175.02 179.38 2k4n n LYS 64 N 0.67 1.07 -3.08 2.03 5.02 -1.26 -3.52 118.16 119.09 2k4n n LYS 64 Ca -0.16 -0.11 -0.20 0.00 -2.02 0.00 0.00 58.31 55.82 2k4n n LYS 64 Cb 0.55 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 2k4n n LYS 64 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2k4n n TYR 65 N -0.77 1.29 -2.44 2.13 4.01 -1.26 -5.08 117.16 115.05 2k4n n TYR 65 Ca 0.18 -3.79 -0.42 0.00 -0.16 0.00 0.00 57.90 53.72 2k4n n TYR 65 Cb 0.11 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 38.69 2k4n n TYR 65 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2k4n s THR 66 N -3.06 4.17 -0.29 -0.72 2.01 -1.23 -4.98 115.64 111.53 2k4n s THR 66 Ca 0.42 1.52 -0.28 0.00 0.31 0.00 0.00 61.69 63.65 2k4n s THR 66 Cb 0.34 -3.97 0.01 0.00 0.01 0.00 0.00 72.50 68.89 2k4n s THR 66 CO -0.09 0.03 1.02 0.20 -0.69 0.00 0.00 174.62 175.09 2k4n s ASN 67 N 1.39 6.93 -1.30 3.53 0.02 -1.26 -4.95 114.94 119.30 2k4n s ASN 67 Ca 0.57 1.07 -0.15 0.00 -1.02 0.00 0.00 52.86 53.33 2k4n s ASN 67 Cb -0.26 -2.52 0.11 0.00 0.02 0.00 0.00 41.25 38.59 2k4n s ASN 67 CO 0.24 -0.78 1.77 1.33 0.02 0.00 0.00 177.10 179.68 2k4n n VAL 68 N 5.67 4.00 -3.10 1.60 0.24 -1.26 -4.93 118.33 120.54 2k4n n VAL 68 Ca 0.11 -4.11 -0.43 0.00 -2.04 0.00 0.00 64.34 57.86 2k4n n VAL 68 Cb 0.47 -2.43 -0.06 0.00 -1.47 0.00 0.00 33.84 30.35 2k4n n VAL 68 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2k4n s LYS 69 N 2.77 3.21 -0.24 7.34 2.20 -1.26 -5.01 119.74 128.76 2k4n s LYS 69 Ca 0.48 -0.58 -0.22 0.00 -0.36 0.00 0.00 55.97 55.28 2k4n s LYS 69 Cb 0.05 -4.02 -0.01 0.00 -1.51 0.00 0.00 37.83 32.33 2k4n s LYS 69 CO 0.02 -1.15 0.72 0.15 -0.36 0.00 0.00 175.35 174.72 2k4n s LYS 70 N 2.86 4.16 -0.31 4.03 1.02 -1.26 -0.21 119.74 130.04 2k4n s LYS 70 Ca 0.20 0.74 -0.10 0.00 0.02 0.00 0.00 55.97 56.84 2k4n s LYS 70 Cb -0.16 -3.63 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 2k4n s LYS 70 CO 0.16 -0.43 0.15 0.08 -0.92 0.00 0.00 175.35 174.39 2k4n s VAL 71 N 2.54 4.59 -0.88 3.17 1.01 0.95 -4.92 120.40 126.85 2k4n s VAL 71 Ca 0.31 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 2k4n s VAL 71 Cb -0.15 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.90 2k4n s VAL 71 CO 0.08 0.06 1.55 -0.54 0.00 0.00 0.00 175.10 176.26 2k4n s LYS 72 N 1.61 3.18 -0.12 2.72 1.02 -1.26 -0.76 119.74 126.13 2k4n s LYS 72 Ca 0.05 -0.54 -0.19 0.00 0.02 0.00 0.00 55.97 55.30 2k4n s LYS 72 Cb -0.17 -4.90 -0.04 0.00 -0.52 0.00 0.00 37.83 32.20 2k4n s LYS 72 CO 0.06 -2.48 0.51 0.42 -0.92 0.00 0.00 175.35 172.94 2k4n s ILE 73 N 6.63 5.16 -0.37 2.17 1.01 -0.23 -4.92 121.20 130.65 2k4n s ILE 73 Ca 0.50 1.03 -0.12 0.00 0.00 0.00 0.00 60.65 62.06 2k4n s ILE 73 Cb -0.05 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.59 2k4n s ILE 73 CO 0.02 0.30 0.22 -0.75 0.00 0.00 0.00 174.94 174.72 2k4n s LYS 74 N 0.75 2.99 0.37 2.79 2.20 -1.26 0.13 119.74 127.70 2k4n s LYS 74 Ca 0.27 -0.98 0.08 0.00 -0.36 0.00 0.00 55.97 54.99 2k4n s LYS 74 Cb -0.15 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 2k4n s LYS 74 CO 0.11 -0.64 0.09 0.15 -0.36 0.00 0.00 175.35 174.70 2k4n s LYS 75 N 1.60 2.16 0.09 4.03 1.02 -0.65 -3.96 119.74 124.03 2k4n s LYS 75 Ca 0.03 -1.78 0.09 0.00 0.02 0.00 0.00 55.97 54.32 2k4n s LYS 75 Cb -0.19 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 2k4n s LYS 75 CO 0.07 0.03 -0.23 0.54 -0.92 0.00 0.00 175.35 174.84 2k4n s VAL 76 N -2.55 1.85 0.13 3.17 0.11 -0.86 -0.61 120.40 121.64 2k4n s VAL 76 Ca 0.37 -1.47 -0.07 0.00 -2.93 0.00 0.00 61.98 57.88 2k4n s VAL 76 Cb 0.02 -1.64 -0.01 0.00 -1.53 0.00 0.00 36.38 33.22 2k4n s VAL 76 CO 0.21 0.09 0.20 -0.72 -3.33 0.00 0.00 175.10 171.55 2k4n s TYR 77 N -1.00 0.43 0.14 1.54 -0.85 0.82 -0.58 117.35 117.85 2k4n s TYR 77 Ca 0.09 -0.82 0.07 0.00 -0.52 0.00 0.00 57.07 55.88 2k4n s TYR 77 Cb -0.10 -0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.05 2k4n s TYR 77 CO 0.04 -0.63 -0.15 -0.59 -1.52 0.00 0.00 175.55 172.70 2k4n s PHE 78 N -3.96 1.53 -0.13 -3.49 -0.12 -0.64 -0.82 117.98 110.35 2k4n s PHE 78 Ca 0.15 -0.54 -0.06 0.00 -0.05 0.00 0.00 56.93 56.42 2k4n s PHE 78 Cb 0.05 -0.78 -0.04 0.00 -0.63 0.00 0.00 43.02 41.62 2k4n s PHE 78 CO -0.03 0.20 0.09 -1.21 -0.05 0.00 0.00 175.22 174.23 2k4n s GLU 79 N -2.83 3.52 0.59 1.99 2.02 -1.26 -1.44 118.70 121.29 2k4n s GLU 79 Ca 0.12 -0.24 -0.02 0.00 0.02 0.00 0.00 54.97 54.85 2k4n s GLU 79 Cb -0.04 -3.13 0.04 0.00 0.10 0.00 0.00 34.13 31.09 2k4n s GLU 79 CO 0.04 0.62 0.85 0.95 0.02 0.00 0.00 175.26 177.74 2k4n s THR 80 N -0.59 2.74 -1.01 3.63 -4.23 -0.54 -4.96 115.64 110.69 2k4n s THR 80 Ca 0.12 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.17 2k4n s THR 80 Cb -0.12 -3.08 0.12 0.00 1.34 0.00 0.00 72.50 70.76 2k4n s THR 80 CO 0.02 -0.07 0.73 0.18 -0.54 0.00 0.00 174.62 174.94 2k4n n LEU 81 N -2.52 1.58 -0.01 4.79 4.32 -1.17 -3.04 117.00 120.95 2k4n n LEU 81 Ca 0.07 -0.80 0.00 0.00 -0.02 0.00 0.00 56.01 55.27 2k4n n LEU 81 Cb 0.60 -0.48 0.01 0.00 -1.62 0.00 0.00 43.42 41.92 2k4n n LEU 81 CO 0.48 0.29 0.42 -0.67 -1.22 0.00 0.00 177.39 176.69 2k4n n ASP 82 N 0.06 1.35 -0.45 -1.43 2.03 -1.26 -4.94 116.55 111.92 2k4n n ASP 82 Ca 0.04 -1.73 -0.06 0.00 0.52 0.00 0.00 54.79 53.56 2k4n n ASP 82 Cb 0.36 -0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.71 2k4n n ASP 82 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k4n n ASN 83 N -0.37 -3.75 -4.57 1.67 5.15 -1.17 -4.89 115.26 107.33 2k4n n ASN 83 Ca 0.01 0.14 -0.34 0.00 -0.60 0.00 0.00 54.58 53.79 2k4n n ASN 83 Cb 0.35 -1.76 -0.11 0.00 -0.53 0.00 0.00 39.78 37.73 2k4n n ASN 83 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2k4n s VAL 84 N -2.20 3.82 -0.21 3.44 1.01 -1.26 -4.86 120.40 120.13 2k4n s VAL 84 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2k4n s VAL 84 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2k4n s VAL 84 CO 0.00 0.57 0.11 -0.13 0.00 0.00 0.00 175.10 175.65 2k4n s ARG 85 N -0.49 4.00 -0.36 2.72 0.52 0.44 -1.47 118.95 124.30 2k4n s ARG 85 Ca 0.08 -0.32 -0.14 0.00 -0.52 0.00 0.00 55.73 54.82 2k4n s ARG 85 Cb -0.12 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 2k4n s ARG 85 CO 0.02 0.14 0.31 0.08 0.02 0.00 0.00 175.30 175.87 2k4n s VAL 86 N 0.78 5.22 0.05 3.52 1.01 -0.52 -0.03 120.40 130.44 2k4n s VAL 86 Ca 0.06 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2k4n s VAL 86 Cb -0.13 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2k4n s VAL 86 CO 0.02 -0.13 -0.06 -0.69 0.00 0.00 0.00 175.10 174.24 2k4n s VAL 87 N 1.86 3.65 0.33 2.92 1.01 0.58 -1.62 120.40 129.12 2k4n s VAL 87 Ca 0.08 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 2k4n s VAL 87 Cb -0.17 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.58 2k4n s VAL 87 CO 0.11 0.25 0.53 1.07 0.00 0.00 0.00 175.10 177.07 2k4n n THR 88 N 1.09 0.00 -2.97 3.92 5.66 0.25 -1.49 114.28 120.74 2k4n n THR 88 Ca -0.14 -1.34 -0.41 0.00 -3.05 0.00 0.00 64.05 59.11 2k4n n THR 88 Cb 0.52 0.95 -0.05 0.00 -1.55 0.00 0.00 70.33 70.20 2k4n n THR 88 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k4n s ASP 89 N -2.91 6.80 0.41 1.09 2.15 -1.26 -2.02 116.67 120.93 2k4n s ASP 89 Ca 0.22 0.99 0.22 0.00 0.43 0.00 0.00 52.55 54.41 2k4n s ASP 89 Cb -0.02 -2.41 0.72 0.00 -0.30 0.00 0.00 42.92 40.91 2k4n s ASP 89 CO 0.16 -0.40 1.74 0.22 -0.17 0.00 0.00 175.17 176.72 2k4n h TYR 90 N 7.54 0.00 0.10 -5.34 3.20 -1.87 -1.28 116.97 119.33 2k4n h TYR 90 Ca -0.28 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.59 2k4n h TYR 90 Cb 1.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.39 2k4n h TYR 90 CO 0.73 0.26 -0.05 0.77 -1.64 0.00 0.00 178.16 178.24 2k4n h SER 91 N 0.00 -0.11 0.69 -2.11 0.02 -1.92 -1.77 113.55 108.35 2k4n h SER 91 Ca -0.00 -0.46 -0.09 0.00 -0.84 0.00 0.00 61.79 60.40 2k4n h SER 91 Cb 0.89 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2k4n h SER 91 CO 0.03 0.45 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.41 2k4n h GLU 92 N -0.73 0.00 -0.46 3.45 4.39 -1.97 -1.16 114.58 118.11 2k4n h GLU 92 Ca -0.01 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 2k4n h GLU 92 Cb 0.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2k4n h GLU 92 CO 0.02 0.44 0.02 0.35 -1.16 0.00 0.00 179.01 178.68 2k4n h PHE 93 N 0.00 0.85 -0.42 4.33 3.57 -1.27 -2.03 116.94 121.97 2k4n h PHE 93 Ca -0.00 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.31 2k4n h PHE 93 Cb 0.90 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2k4n h PHE 93 CO 0.00 0.82 0.09 1.96 -2.23 0.00 0.00 178.31 178.95 2k4n h GLN 94 N 0.64 0.64 -0.63 1.11 4.20 -0.97 -0.86 115.11 119.24 2k4n h GLN 94 Ca 0.13 -0.12 0.06 0.00 0.06 0.00 0.00 58.65 58.78 2k4n h GLN 94 Cb 0.47 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 2k4n h GLN 94 CO 0.02 0.59 0.33 -0.22 -0.67 0.00 0.00 178.83 178.88 2k4n h LYS 95 N 0.62 0.59 -0.42 1.46 3.64 -0.80 0.16 116.57 121.82 2k4n h LYS 95 Ca 0.14 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 2k4n h LYS 95 Cb 0.26 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2k4n h LYS 95 CO -0.00 0.39 -0.33 0.82 -2.27 0.00 0.00 179.45 178.06 2k4n h ILE 96 N 0.61 1.27 0.03 2.00 2.04 -0.76 0.28 117.51 122.98 2k4n h ILE 96 Ca 0.28 -1.50 0.01 0.00 1.00 0.00 0.00 64.86 64.65 2k4n h ILE 96 Cb 0.20 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2k4n h ILE 96 CO -0.19 0.51 -0.06 -0.07 0.00 0.00 0.00 178.15 178.33 2k4n h LEU 97 N 0.79 -0.17 -1.20 1.44 3.38 -0.67 -2.23 115.31 116.65 2k4n h LEU 97 Ca 0.08 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2k4n h LEU 97 Cb 0.92 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2k4n h LEU 97 CO 0.09 -0.09 -0.28 0.11 0.09 0.00 0.00 178.44 178.35 2k4n h LYS 98 N -0.12 0.00 0.31 1.13 1.57 -0.64 0.37 116.57 119.18 2k4n h LYS 98 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2k4n h LYS 98 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2k4n h LYS 98 CO -0.04 0.28 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.73 2k4n h LYS 99 N 0.00 -0.43 0.08 3.15 3.64 -0.51 -3.21 116.57 119.30 2k4n h LYS 99 Ca -0.00 0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.13 2k4n h LYS 99 Cb 0.73 0.10 0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2k4n h LYS 99 CO 0.04 -0.28 -1.14 -0.09 -2.27 0.00 0.00 179.45 175.70 2k4n h ARG 100 N -0.44 0.52 0.00 1.90 2.43 -1.20 -3.48 114.38 114.11 2k4n h ARG 100 Ca -0.04 -0.66 0.00 0.00 -0.81 0.00 0.00 59.98 58.47 2k4n h ARG 100 Cb 0.35 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2k4n h ARG 100 CO 0.05 1.28 0.00 0.41 -1.51 0.00 0.00 179.97 180.20 2k4n n GLY 101 N 1.25 1.49 3.74 2.80 0.00 0.10 -5.09 105.19 109.47 2k4n n GLY 101 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 3.39 0.34 2.61 2.01 0.39 -4.96 115.64 117.41 2k4n s THR 102 Ca 0.00 1.14 0.04 0.00 0.31 0.00 0.00 61.69 63.18 2k4n s THR 102 Cb 0.00 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 2k4n s THR 102 CO 0.00 0.17 0.05 -0.54 -0.69 0.00 0.00 174.62 173.61 2k4n s LYS 103 N -0.07 1.69 0.42 4.92 1.02 -1.26 -4.46 119.74 122.00 2k4n s LYS 103 Ca 0.56 -1.94 0.24 0.00 0.02 0.00 0.00 55.97 54.84 2k4n s LYS 103 Cb -0.35 -0.98 0.45 0.00 -0.52 0.00 0.00 37.83 36.43 2k4n s LYS 103 CO 0.37 -0.16 1.65 1.25 -0.92 0.00 0.00 175.35 177.53 2k4n h LEU 104 N 2.07 0.00 -9.53 3.17 5.85 -2.02 -3.44 115.31 111.40 2k4n h LEU 104 Ca -0.41 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 57.78 2k4n h LEU 104 Cb 1.24 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.28 2k4n h LEU 104 CO 0.71 0.00 0.58 -1.61 -0.34 0.00 0.00 178.44 177.78 2k4n s GLU 105 N -3.22 4.44 -0.39 1.25 2.02 -1.26 -5.01 118.70 116.53 2k4n s GLU 105 Ca 0.07 1.83 -0.05 0.00 0.02 0.00 0.00 54.97 56.84 2k4n s GLU 105 Cb 0.06 -3.31 0.09 0.00 0.10 0.00 0.00 34.13 31.07 2k4n s GLU 105 CO 0.65 -0.23 0.19 -1.01 0.02 0.00 0.00 175.26 174.88 2k4n s HIS 106 N 0.79 3.42 -0.12 1.61 3.76 -1.26 -5.09 115.29 118.40 2k4n s HIS 106 Ca 0.58 -1.94 -0.12 0.00 -0.15 0.00 0.00 55.06 53.43 2k4n s HIS 106 Cb -0.31 -2.90 -0.05 0.00 1.11 0.00 0.00 32.58 30.43 2k4n s HIS 106 CO 0.31 -0.89 0.26 -1.01 -0.85 0.00 0.00 174.74 172.56 2k4n s HIS 107 N 1.28 3.54 -0.28 1.40 3.76 -1.26 -5.06 115.29 118.68 2k4n s HIS 107 Ca 0.03 0.63 -0.04 0.00 -0.15 0.00 0.00 55.06 55.53 2k4n s HIS 107 Cb -0.22 -2.21 0.10 0.00 1.11 0.00 0.00 32.58 31.35 2k4n s HIS 107 CO -0.01 0.45 0.12 -1.01 -0.85 0.00 0.00 174.74 173.44 2k4n s HIS 108 N -0.21 0.37 0.05 1.40 3.76 -1.26 -5.13 115.29 114.26 2k4n s HIS 108 Ca 0.17 -0.86 0.01 0.00 -0.15 0.00 0.00 55.06 54.22 2k4n s HIS 108 Cb -0.13 -0.91 -0.04 0.00 1.11 0.00 0.00 32.58 32.60 2k4n s HIS 108 CO 0.05 -0.80 0.14 -1.01 -0.85 0.00 0.00 174.74 172.27 2k4n s HIS 109 N 2.08 3.36 0.39 1.40 3.76 -1.26 -5.12 115.29 119.90 2k4n s HIS 109 Ca 0.08 0.19 0.08 0.00 -0.15 0.00 0.00 55.06 55.26 2k4n s HIS 109 Cb -0.16 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 2k4n s HIS 109 CO -0.34 0.56 0.19 -1.01 -0.85 0.00 0.00 174.74 173.30 2k4n s HIS 110 N -1.40 2.65 -2.33 1.40 3.76 -1.26 -5.36 115.29 112.75 2k4n s HIS 110 Ca 0.30 -0.50 0.19 0.00 -0.15 0.00 0.00 55.06 54.90 2k4n s HIS 110 Cb -0.13 -1.87 0.15 0.00 1.11 0.00 0.00 32.58 31.85 2k4n s HIS 110 CO 0.23 0.20 1.09 1.58 -0.85 0.00 0.00 174.74 176.99