#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 1.19 0.44 3.17 -0.87 -1.26 -4.86 114.94 112.75 2k4n s ASN 2 Ca 0.00 -1.59 0.14 0.00 -1.57 0.00 0.00 52.86 49.84 2k4n s ASN 2 Cb 0.00 0.59 0.97 0.00 -0.02 0.00 0.00 41.25 42.80 2k4n s ASN 2 CO 0.00 -1.16 1.97 0.77 -2.57 0.00 0.00 177.10 176.12 2k4n h SER 3 N 2.16 0.00 -0.53 -1.22 4.64 -1.96 -1.56 113.55 115.08 2k4n h SER 3 Ca -0.27 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 2k4n h SER 3 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2k4n h SER 3 CO 0.39 0.20 0.08 -0.08 -0.87 0.00 0.00 176.83 176.55 2k4n h GLU 4 N 0.00 0.93 -0.70 4.77 4.81 -1.99 0.78 114.58 123.18 2k4n h GLU 4 Ca -0.00 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 2k4n h GLU 4 Cb 0.36 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2k4n h GLU 4 CO 0.03 0.87 0.32 0.28 -0.73 0.00 0.00 179.01 179.77 2k4n h VAL 5 N 0.88 1.24 -0.54 0.32 2.07 -1.69 -1.08 116.25 117.45 2k4n h VAL 5 Ca 0.18 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2k4n h VAL 5 Cb 0.40 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2k4n h VAL 5 CO 0.01 0.28 0.26 0.40 0.02 0.00 0.00 177.57 178.54 2k4n h ILE 6 N 0.99 1.20 -0.15 4.57 2.04 -0.86 0.48 117.51 125.77 2k4n h ILE 6 Ca 0.24 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.58 2k4n h ILE 6 Cb 0.15 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 2k4n h ILE 6 CO -0.03 0.23 -0.26 0.11 0.00 0.00 0.00 178.15 178.20 2k4n h LYS 7 N 0.72 -0.30 0.00 2.37 1.57 -0.40 -0.72 116.57 119.81 2k4n h LYS 7 Ca 0.18 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 2k4n h LYS 7 Cb 0.12 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2k4n h LYS 7 CO -0.02 -0.20 -0.31 0.93 -0.57 0.00 0.00 179.45 179.28 2k4n h GLU 8 N -0.31 0.00 -0.35 3.15 5.08 -0.93 0.28 114.58 121.50 2k4n h GLU 8 Ca 0.11 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2k4n h GLU 8 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2k4n h GLU 8 CO -0.33 0.31 -0.09 0.35 -1.00 0.00 0.00 179.01 178.25 2k4n h PHE 9 N 0.00 0.76 -0.10 4.33 3.57 -0.41 -1.37 116.94 123.71 2k4n h PHE 9 Ca -0.00 -0.16 -0.16 0.00 3.53 0.00 0.00 57.97 61.17 2k4n h PHE 9 Cb 0.77 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2k4n h PHE 9 CO 0.00 0.84 -0.63 -0.07 -2.23 0.00 0.00 178.31 176.21 2k4n h LEU 10 N 0.46 0.42 -1.41 0.59 3.38 -0.58 -2.89 115.31 115.29 2k4n h LEU 10 Ca 0.09 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2k4n h LEU 10 Cb 0.59 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2k4n h LEU 10 CO 0.04 0.95 -0.10 -0.08 0.09 0.00 0.00 178.44 179.33 2k4n h GLU 11 N 0.27 0.27 0.74 1.13 4.57 -0.38 0.27 114.58 121.45 2k4n h GLU 11 Ca -0.01 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 2k4n h GLU 11 Cb 1.17 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2k4n h GLU 11 CO 0.11 0.38 -0.35 0.22 -1.18 0.00 0.00 179.01 178.19 2k4n h ASP 12 N 0.26 -0.84 1.47 1.04 1.82 -1.04 -3.20 116.42 115.93 2k4n h ASP 12 Ca 0.05 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2k4n h ASP 12 Cb 0.34 0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.57 2k4n h ASP 12 CO 0.02 -0.50 0.00 0.16 -1.61 0.00 0.00 179.24 177.31 2k4n h ILE 13 N -1.18 0.00 -1.81 2.25 3.07 -1.47 -3.47 117.51 114.91 2k4n h ILE 13 Ca -0.10 -0.62 -0.01 0.00 1.55 0.00 0.00 64.86 65.68 2k4n h ILE 13 Cb 0.78 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.91 2k4n h ILE 13 CO 0.17 0.00 -0.02 0.61 -1.05 0.00 0.00 178.15 177.85 2k4n n GLY 14 N 0.83 0.57 3.99 0.16 0.00 0.76 -5.07 105.19 106.44 2k4n n GLY 14 Ca 0.04 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 2k4n n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4n s GLU 15 N -4.35 2.79 -0.09 1.61 0.41 -0.12 -5.03 118.70 113.92 2k4n s GLU 15 Ca 0.01 -1.05 -0.11 0.00 -0.41 0.00 0.00 54.97 53.40 2k4n s GLU 15 Cb -0.00 -2.68 -0.05 0.00 -1.78 0.00 0.00 34.13 29.62 2k4n s GLU 15 CO 0.02 -0.36 0.26 -0.51 -0.49 0.00 0.00 175.26 174.19 2k4n s ASP 16 N -4.34 6.53 -0.13 -0.19 1.11 -1.26 -4.77 116.67 113.61 2k4n s ASP 16 Ca 0.54 0.63 -0.02 0.00 0.18 0.00 0.00 52.55 53.88 2k4n s ASP 16 Cb -0.10 -2.16 0.04 0.00 1.07 0.00 0.00 42.92 41.77 2k4n s ASP 16 CO 0.35 0.30 -0.01 -0.72 1.18 0.00 0.00 175.17 176.27 2k4n s TYR 17 N -0.64 1.07 -0.91 4.23 1.13 -1.26 -4.63 117.35 116.34 2k4n s TYR 17 Ca 0.18 -0.63 -0.21 0.00 -1.41 0.00 0.00 57.07 55.00 2k4n s TYR 17 Cb -0.14 -1.02 0.09 0.00 -1.10 0.00 0.00 41.96 39.79 2k4n s TYR 17 CO 0.07 -0.49 1.22 0.42 -2.51 0.00 0.00 175.55 174.25 2k4n s ILE 18 N 1.84 4.33 -0.45 -3.49 1.01 -0.24 -4.90 121.20 119.31 2k4n s ILE 18 Ca 0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 2k4n s ILE 18 Cb -0.14 -4.87 0.08 0.00 0.01 0.00 0.00 42.46 37.54 2k4n s ILE 18 CO -0.07 -1.67 0.34 -0.70 0.00 0.00 0.00 174.94 172.84 2k4n s GLU 19 N 3.86 2.78 0.44 2.79 2.12 -1.26 -0.13 118.70 129.29 2k4n s GLU 19 Ca 0.36 -1.44 -0.07 0.00 0.36 0.00 0.00 54.97 54.17 2k4n s GLU 19 Cb -0.05 -3.97 0.10 0.00 0.26 0.00 0.00 34.13 30.47 2k4n s GLU 19 CO -0.05 -1.02 0.58 1.28 -0.54 0.00 0.00 175.26 175.51 2k4n n LEU 20 N 5.06 0.00 -4.55 2.70 4.77 0.27 -4.89 117.00 120.35 2k4n n LEU 20 Ca -0.11 -0.64 -0.39 0.00 -0.03 0.00 0.00 56.01 54.84 2k4n n LEU 20 Cb 0.43 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2k4n n LEU 20 CO 0.44 -0.94 1.62 -1.61 -1.33 0.00 0.00 177.39 175.56 2k4n s GLU 21 N -4.28 2.64 -0.81 3.23 2.02 -1.26 -2.13 118.70 118.12 2k4n s GLU 21 Ca 0.33 0.67 0.00 0.00 0.02 0.00 0.00 54.97 55.99 2k4n s GLU 21 Cb -0.01 -4.39 0.00 0.00 0.10 0.00 0.00 34.13 29.84 2k4n s GLU 21 CO 0.23 -2.71 0.00 0.09 0.02 0.00 0.00 175.26 172.89 2k4n n ASN 22 N 12.74 -3.24 -3.56 -0.19 4.13 -1.26 -4.99 115.26 118.89 2k4n n ASN 22 Ca 0.21 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.30 2k4n n ASN 22 Cb 0.52 -2.47 -0.14 0.00 -1.54 0.00 0.00 39.78 36.15 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 -4.37 0.14 -0.42 3.52 2.02 -0.91 -0.15 118.70 118.53 2k4n s GLU 23 Ca 0.00 0.33 -0.14 0.00 0.02 0.00 0.00 54.97 55.18 2k4n s GLU 23 Cb 0.00 -0.90 0.04 0.00 0.10 0.00 0.00 34.13 33.37 2k4n s GLU 23 CO 0.00 -0.53 0.31 0.42 0.02 0.00 0.00 175.26 175.48 2k4n s ILE 24 N 2.32 5.07 -0.28 -1.63 1.01 0.10 0.93 121.20 128.72 2k4n s ILE 24 Ca 0.05 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 2k4n s ILE 24 Cb -0.14 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2k4n s ILE 24 CO -0.10 -0.39 0.36 -1.00 0.00 0.00 0.00 174.94 173.81 2k4n s HIS 25 N 1.63 3.24 0.46 3.97 3.76 0.81 0.25 115.29 129.41 2k4n s HIS 25 Ca 0.04 0.31 0.05 0.00 -0.15 0.00 0.00 55.06 55.32 2k4n s HIS 25 Cb -0.21 -2.58 -0.03 0.00 1.11 0.00 0.00 32.58 30.86 2k4n s HIS 25 CO 0.08 -0.27 0.13 -0.51 -0.85 0.00 0.00 174.74 173.32 2k4n s LEU 26 N 2.05 2.78 0.44 0.89 1.43 -0.99 -1.08 118.68 124.19 2k4n s LEU 26 Ca 0.14 -1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 51.68 2k4n s LEU 26 Cb -0.16 -1.09 -0.08 0.00 0.03 0.00 0.00 46.19 44.89 2k4n s LEU 26 CO 0.10 -0.69 1.07 -0.54 0.23 0.00 0.00 176.35 176.53 2k4n s LYS 27 N -3.91 3.97 0.20 1.70 1.02 -1.26 -4.66 119.74 116.80 2k4n s LYS 27 Ca 0.29 1.54 -0.16 0.00 0.02 0.00 0.00 55.97 57.66 2k4n s LYS 27 Cb 0.04 -2.40 0.20 0.00 -0.52 0.00 0.00 37.83 35.15 2k4n s LYS 27 CO 0.16 -0.32 1.61 -1.35 -0.92 0.00 0.00 175.35 174.54 2k4n h PRO 28 N 2.15 -0.06 -0.13 -1.68 0.11 -1.96 0.25 132.00 130.68 2k4n h PRO 28 Ca -0.49 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 2k4n h PRO 28 Cb 1.22 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2k4n h PRO 28 CO 0.61 -0.04 -0.55 1.49 -0.21 0.00 0.00 178.00 179.30 2k4n h GLU 29 N -0.06 0.39 -0.22 1.05 4.81 -1.93 -0.49 114.58 118.12 2k4n h GLU 29 Ca 0.28 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2k4n h GLU 29 Cb 0.49 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2k4n h GLU 29 CO -0.65 0.84 -0.05 0.28 -0.73 0.00 0.00 179.01 178.70 2k4n h VAL 30 N 0.30 1.28 -0.80 0.32 2.07 -1.64 -1.75 116.25 116.02 2k4n h VAL 30 Ca 0.00 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2k4n h VAL 30 Cb 1.06 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 2k4n h VAL 30 CO 0.09 0.32 0.46 0.15 0.02 0.00 0.00 177.57 178.61 2k4n h PHE 31 N 0.15 1.08 -0.91 1.57 3.57 -0.51 -1.19 116.94 120.70 2k4n h PHE 31 Ca 0.06 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2k4n h PHE 31 Cb 0.51 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 38.83 2k4n h PHE 31 CO 0.05 0.73 0.59 -0.92 -2.23 0.00 0.00 178.31 176.53 2k4n h TYR 32 N 1.12 1.03 0.01 0.41 3.20 -0.71 0.43 116.97 122.45 2k4n h TYR 32 Ca 0.29 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.94 2k4n h TYR 32 Cb -0.01 -0.33 0.01 0.00 1.54 0.00 0.00 36.73 37.93 2k4n h TYR 32 CO 0.01 0.51 -0.99 0.93 -1.64 0.00 0.00 178.16 176.97 2k4n h GLU 33 N 0.98 0.47 -0.19 1.82 4.39 -0.66 -3.16 114.58 118.22 2k4n h GLU 33 Ca 0.41 -0.52 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 2k4n h GLU 33 Cb 0.29 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2k4n h GLU 33 CO -0.17 1.16 -0.21 0.28 -1.16 0.00 0.00 179.01 178.92 2k4n h VAL 34 N 0.26 1.24 -1.01 3.13 2.07 -0.36 -1.68 116.25 119.90 2k4n h VAL 34 Ca -0.10 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.41 2k4n h VAL 34 Cb 1.63 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.66 2k4n h VAL 34 CO 0.18 0.34 0.65 -0.25 0.02 0.00 0.00 177.57 178.51 2k4n h TRP 35 N 0.31 1.20 -0.26 1.57 7.01 -0.14 0.16 115.95 125.81 2k4n h TRP 35 Ca 0.05 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.96 2k4n h TRP 35 Cb 0.55 -0.39 -0.00 0.00 -2.10 0.00 0.00 29.16 27.22 2k4n h TRP 35 CO 0.01 0.61 -0.33 0.87 -2.79 0.00 0.00 178.44 176.80 2k4n h LYS 36 N 1.16 0.68 -0.91 2.65 1.57 -1.42 -1.05 116.57 119.25 2k4n h LYS 36 Ca 0.44 -0.39 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2k4n h LYS 36 Cb 0.20 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 2k4n h LYS 36 CO -0.18 1.00 0.60 -0.92 -0.57 0.00 0.00 179.45 179.38 2k4n h TYR 37 N 0.40 1.10 -0.04 -1.35 5.03 -0.30 -0.43 116.97 121.38 2k4n h TYR 37 Ca 0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2k4n h TYR 37 Cb 0.92 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.83 2k4n h TYR 37 CO 0.08 0.63 0.00 1.33 -1.32 0.00 0.00 178.16 178.88 2k4n n VAL 38 N -4.45 0.05 0.00 1.81 0.24 0.44 -4.86 118.33 111.56 2k4n n VAL 38 Ca 0.12 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2k4n n VAL 38 Cb 0.11 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 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 0.89 1.02 3.11 7.63 0.00 -0.17 -4.61 105.19 113.06 2k4n n GLY 39 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.94 -1.62 -2.92 1.61 2.13 -0.40 -5.02 120.64 112.47 2k4n n GLU 40 Ca 0.00 1.57 -0.19 0.00 0.66 0.00 0.00 57.16 59.20 2k4n n GLU 40 Cb 0.00 -5.22 0.04 0.00 0.27 0.00 0.00 31.44 26.52 2k4n n GLU 40 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2k4n s PRO 41 N -3.09 2.53 0.41 5.31 0.04 -1.26 -5.09 135.00 133.85 2k4n s PRO 41 Ca 0.08 -1.28 -0.23 0.00 0.04 0.00 0.00 61.00 59.61 2k4n s PRO 41 Cb -0.02 -2.65 -0.09 0.00 0.04 0.00 0.00 34.50 31.78 2k4n s PRO 41 CO 0.78 -0.61 1.05 -1.21 0.04 0.00 0.00 177.00 177.05 2k4n s GLU 42 N -4.57 4.10 0.17 4.56 2.02 -1.26 -5.05 118.70 118.66 2k4n s GLU 42 Ca 0.58 1.50 0.08 0.00 0.02 0.00 0.00 54.97 57.15 2k4n s GLU 42 Cb -0.08 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2k4n s GLU 42 CO 0.37 -0.19 -0.05 -0.51 0.02 0.00 0.00 175.26 174.89 2k4n s LEU 43 N -2.77 3.16 -0.02 1.80 1.43 -1.26 -4.94 118.68 116.08 2k4n s LEU 43 Ca 0.59 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2k4n s LEU 43 Cb -0.21 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2k4n s LEU 43 CO 0.27 0.11 0.15 -0.54 0.23 0.00 0.00 176.35 176.56 2k4n s LYS 44 N -2.79 3.32 -0.02 1.70 1.02 0.31 -4.94 119.74 118.33 2k4n s LYS 44 Ca 0.26 -0.36 0.05 0.00 0.02 0.00 0.00 55.97 55.93 2k4n s LYS 44 Cb -0.09 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 2k4n s LYS 44 CO 0.17 0.67 -0.15 0.95 -0.92 0.00 0.00 175.35 176.07 2k4n s THR 45 N -1.26 1.24 0.03 2.17 -4.23 -1.26 -0.25 115.64 112.09 2k4n s THR 45 Ca 0.25 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 2k4n s THR 45 Cb -0.12 -1.05 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 2k4n s THR 45 CO 0.16 0.36 -0.09 -0.72 -0.54 0.00 0.00 174.62 173.79 2k4n s TYR 46 N -0.23 0.79 -0.28 3.99 1.13 -0.11 -4.97 117.35 117.67 2k4n s TYR 46 Ca 0.03 -0.37 -0.07 0.00 -1.41 0.00 0.00 57.07 55.25 2k4n s TYR 46 Cb -0.08 -0.47 0.00 0.00 -1.10 0.00 0.00 41.96 40.31 2k4n s TYR 46 CO 0.00 -0.03 0.08 0.08 -2.51 0.00 0.00 175.55 173.17 2k4n s VAL 47 N -0.97 4.03 -0.09 -3.49 1.01 -1.26 -0.22 120.40 119.41 2k4n s VAL 47 Ca -0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 2k4n s VAL 47 Cb -0.08 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2k4n s VAL 47 CO 0.01 0.14 -0.00 0.27 0.00 0.00 0.00 175.10 175.51 2k4n s ILE 48 N 1.52 4.28 -0.61 2.22 -4.36 0.05 -4.89 121.20 119.41 2k4n s ILE 48 Ca 0.04 -0.26 0.02 0.00 -0.26 0.00 0.00 60.65 60.18 2k4n s ILE 48 Cb -0.17 -2.80 0.15 0.00 1.25 0.00 0.00 42.46 40.90 2k4n s ILE 48 CO 0.03 0.60 0.39 -1.61 0.24 0.00 0.00 174.94 174.59 2k4n s GLU 49 N -0.87 2.34 -0.32 0.37 2.02 -1.25 -0.42 118.70 120.57 2k4n s GLU 49 Ca 0.13 -2.76 0.03 0.00 0.02 0.00 0.00 54.97 52.39 2k4n s GLU 49 Cb -0.11 -3.52 0.09 0.00 0.10 0.00 0.00 34.13 30.69 2k4n s GLU 49 CO 0.02 -1.17 0.02 0.34 0.02 0.00 0.00 175.26 174.49 2k4n s ASP 50 N -0.16 4.74 0.22 -0.19 -1.08 -1.22 -4.63 116.67 114.35 2k4n s ASP 50 Ca 0.19 -1.88 0.00 0.00 -0.52 0.00 0.00 52.55 50.34 2k4n s ASP 50 Cb -0.20 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.63 2k4n s ASP 50 CO -0.04 -0.34 0.00 1.21 0.52 0.00 0.00 175.17 176.52 2k4n n GLU 51 N 4.36 0.00 -3.15 4.34 2.13 -1.26 -4.73 120.64 122.33 2k4n n GLU 51 Ca -0.03 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.83 2k4n n GLU 51 Cb 0.42 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.12 2k4n n GLU 51 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2k4n s ILE 52 N -1.70 -0.99 0.16 6.31 2.07 -1.06 -5.01 121.20 120.98 2k4n s ILE 52 Ca 0.00 -0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 2k4n s ILE 52 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.56 2k4n s ILE 52 CO 0.00 -0.00 0.14 0.68 -1.91 0.00 0.00 174.94 173.85 2k4n s VAL 53 N 2.85 4.52 -0.01 4.00 -7.23 -1.26 -1.65 120.40 121.62 2k4n s VAL 53 Ca 0.20 -1.07 -0.16 0.00 -1.81 0.00 0.00 61.98 59.14 2k4n s VAL 53 Cb -0.15 -3.31 -0.06 0.00 0.56 0.00 0.00 36.38 33.43 2k4n s VAL 53 CO -0.21 -0.11 0.43 -1.83 -0.31 0.00 0.00 175.10 173.06 2k4n s GLU 54 N -3.11 4.00 0.00 4.82 -1.05 -1.26 -5.04 118.70 117.06 2k4n s GLU 54 Ca 0.31 0.44 0.00 0.00 -0.15 0.00 0.00 54.97 55.57 2k4n s GLU 54 Cb -0.10 -3.25 0.00 0.00 -0.44 0.00 0.00 34.13 30.34 2k4n s GLU 54 CO 0.24 0.62 0.00 -0.35 0.95 0.00 0.00 175.26 176.71 2k4n n PRO 55 N 2.05 0.47 -1.71 -4.83 -0.04 -1.26 -5.05 135.00 124.63 2k4n n PRO 55 Ca -0.13 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.35 2k4n n PRO 55 Cb 0.52 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.04 2k4n n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4n n GLY 56 N 5.00 2.19 0.36 0.55 0.00 -1.26 -4.84 105.19 107.20 2k4n n GLY 56 Ca 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 46.02 44.90 2k4n n GLY 56 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2k4n h GLU 57 N 1.46 1.27 -3.78 1.61 4.81 -2.05 -3.30 114.58 114.58 2k4n h GLU 57 Ca -0.13 -0.13 -0.65 0.00 -0.13 0.00 0.00 59.36 58.32 2k4n h GLU 57 Cb 1.59 -0.26 -0.40 0.00 0.63 0.00 0.00 28.75 30.31 2k4n h GLU 57 CO 0.15 0.90 -0.62 0.71 -0.73 0.00 0.00 179.01 179.41 2k4n s TYR 58 N -5.90 3.37 -0.35 0.92 2.02 -1.26 -5.07 117.35 111.08 2k4n s TYR 58 Ca -0.13 -3.06 -0.28 0.00 -0.37 0.00 0.00 57.07 53.23 2k4n s TYR 58 Cb 0.17 -2.90 -0.01 0.00 -0.40 0.00 0.00 41.96 38.82 2k4n s TYR 58 CO 0.83 -0.81 1.74 0.34 -1.57 0.00 0.00 175.55 176.07 2k4n s ASP 59 N 0.19 5.94 0.54 2.29 2.15 -1.25 -4.97 116.67 121.57 2k4n s ASP 59 Ca 0.15 1.20 -0.08 0.00 0.43 0.00 0.00 52.55 54.25 2k4n s ASP 59 Cb -0.23 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 2k4n s ASP 59 CO -0.03 -1.69 0.89 -2.16 -0.17 0.00 0.00 175.17 172.02 2k4n s PRO 60 N 5.59 3.57 1.03 4.34 0.04 -1.26 -5.07 135.00 143.24 2k4n s PRO 60 Ca 0.76 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 2k4n s PRO 60 Cb -0.21 -2.25 0.21 0.00 0.04 0.00 0.00 34.50 32.29 2k4n s PRO 60 CO 0.33 -0.36 1.08 -2.14 0.04 0.00 0.00 177.00 175.95 2k4n s PRO 61 N -4.93 0.15 0.00 0.56 0.02 -1.26 -4.90 135.00 124.64 2k4n s PRO 61 Ca 0.51 1.06 0.19 0.00 0.02 0.00 0.00 61.00 62.78 2k4n s PRO 61 Cb -0.11 -1.66 0.98 0.00 0.02 0.00 0.00 34.50 33.73 2k4n s PRO 61 CO 0.49 -3.07 1.60 0.39 -0.33 0.00 0.00 177.00 176.08 2k4n n GLU 62 N -4.49 0.27 0.00 5.54 1.02 -1.26 -1.58 120.64 120.15 2k4n n GLU 62 Ca 0.07 0.10 0.11 0.00 -0.02 0.00 0.00 57.16 57.42 2k4n n GLU 62 Cb 0.54 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.54 2k4n n GLU 62 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2k4n n MET 63 N -1.29 0.04 -5.20 3.49 2.81 -1.26 -4.91 117.12 110.81 2k4n n MET 63 Ca 0.09 -0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.68 2k4n n MET 63 Cb 0.16 -1.51 -0.16 0.00 -0.71 0.00 0.00 33.22 30.99 2k4n n MET 63 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2k4n s LYS 64 N -3.03 2.30 0.23 0.03 2.20 -0.62 -5.13 119.74 115.73 2k4n s LYS 64 Ca 0.09 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.84 2k4n s LYS 64 Cb 0.16 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.42 2k4n s LYS 64 CO 0.78 0.40 0.14 1.52 -0.36 0.00 0.00 175.35 177.83 2k4n s TYR 65 N -0.25 1.33 -0.12 4.03 1.13 -1.26 -4.59 117.35 117.62 2k4n s TYR 65 Ca -0.00 -1.36 0.03 0.00 -1.41 0.00 0.00 57.07 54.32 2k4n s TYR 65 Cb -0.12 -0.67 0.01 0.00 -1.10 0.00 0.00 41.96 40.07 2k4n s TYR 65 CO 0.02 -0.58 -0.21 0.99 -2.51 0.00 0.00 175.55 173.26 2k4n s THR 66 N -3.97 1.91 -0.71 -3.49 2.01 -1.26 -5.07 115.64 105.07 2k4n s THR 66 Ca 0.39 -0.90 -0.27 0.00 0.31 0.00 0.00 61.69 61.22 2k4n s THR 66 Cb 0.07 -1.69 0.03 0.00 0.01 0.00 0.00 72.50 70.92 2k4n s THR 66 CO 0.14 0.52 1.24 0.21 -0.69 0.00 0.00 174.62 176.04 2k4n s ASN 67 N 0.75 6.20 0.46 3.53 2.47 -1.26 -4.98 114.94 122.12 2k4n s ASN 67 Ca -0.10 -0.42 0.06 0.00 0.42 0.00 0.00 52.86 52.82 2k4n s ASN 67 Cb -0.16 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.07 2k4n s ASN 67 CO 0.00 -1.75 0.21 0.68 -3.72 0.00 0.00 177.10 172.52 2k4n s VAL 68 N 5.46 1.94 -0.03 -5.21 -7.23 -1.26 -5.08 120.40 108.99 2k4n s VAL 68 Ca 0.35 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 2k4n s VAL 68 Cb -0.09 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2k4n s VAL 68 CO 0.16 0.00 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.29 2k4n s LYS 69 N -4.00 1.20 -0.27 4.82 1.02 -0.66 -5.04 119.74 116.81 2k4n s LYS 69 Ca 0.33 -0.40 -0.03 0.00 0.02 0.00 0.00 55.97 55.90 2k4n s LYS 69 Cb 0.02 -1.09 0.03 0.00 -0.52 0.00 0.00 37.83 36.27 2k4n s LYS 69 CO 0.19 0.16 -0.03 0.15 -0.92 0.00 0.00 175.35 174.90 2k4n s LYS 70 N 0.12 2.80 -0.34 1.68 1.02 -1.26 -2.55 119.74 121.19 2k4n s LYS 70 Ca -0.03 -1.01 -0.14 0.00 0.02 0.00 0.00 55.97 54.81 2k4n s LYS 70 Cb -0.09 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2k4n s LYS 70 CO 0.01 -0.45 0.27 0.54 -0.92 0.00 0.00 175.35 174.80 2k4n s VAL 71 N 1.34 5.25 -0.79 3.17 0.11 -1.26 -5.00 120.40 123.22 2k4n s VAL 71 Ca -0.01 -0.16 -0.25 0.00 -2.93 0.00 0.00 61.98 58.63 2k4n s VAL 71 Cb -0.17 -3.75 0.04 0.00 -1.53 0.00 0.00 36.38 30.97 2k4n s VAL 71 CO -0.03 -0.04 1.27 -0.54 -3.33 0.00 0.00 175.10 172.43 2k4n s LYS 72 N 1.80 3.27 -0.40 1.54 1.02 -1.26 -3.42 119.74 122.29 2k4n s LYS 72 Ca 0.07 -0.54 -0.12 0.00 0.02 0.00 0.00 55.97 55.41 2k4n s LYS 72 Cb -0.17 -4.44 0.03 0.00 -0.52 0.00 0.00 37.83 32.73 2k4n s LYS 72 CO 0.11 -2.11 0.25 0.42 -0.92 0.00 0.00 175.35 173.11 2k4n s ILE 73 N 5.28 4.80 -0.12 2.17 1.01 0.44 -4.94 121.20 129.84 2k4n s ILE 73 Ca 0.35 -0.87 -0.21 0.00 0.00 0.00 0.00 60.65 59.92 2k4n s ILE 73 Cb -0.08 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 2k4n s ILE 73 CO 0.09 -0.31 0.62 -0.75 0.00 0.00 0.00 174.94 174.58 2k4n s LYS 74 N 1.59 4.34 0.30 2.79 2.20 -1.26 -0.77 119.74 128.92 2k4n s LYS 74 Ca 0.03 0.67 0.07 0.00 -0.36 0.00 0.00 55.97 56.38 2k4n s LYS 74 Cb -0.20 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.57 2k4n s LYS 74 CO 0.07 -0.01 -0.06 0.15 -0.36 0.00 0.00 175.35 175.14 2k4n s LYS 75 N 1.13 1.62 0.01 4.03 1.02 0.69 -3.29 119.74 124.94 2k4n s LYS 75 Ca 0.31 -1.83 0.06 0.00 0.02 0.00 0.00 55.97 54.53 2k4n s LYS 75 Cb -0.16 -1.26 -0.02 0.00 -0.52 0.00 0.00 37.83 35.87 2k4n s LYS 75 CO 0.13 0.04 -0.19 0.54 -0.92 0.00 0.00 175.35 174.96 2k4n s VAL 76 N -2.94 1.48 0.24 3.17 0.11 -0.19 -0.93 120.40 121.33 2k4n s VAL 76 Ca 0.31 -0.92 -0.17 0.00 -2.93 0.00 0.00 61.98 58.27 2k4n s VAL 76 Cb 0.04 -1.25 0.01 0.00 -1.53 0.00 0.00 36.38 33.65 2k4n s VAL 76 CO 0.13 0.32 0.56 -0.72 -3.33 0.00 0.00 175.10 172.06 2k4n s TYR 77 N -0.57 0.06 0.09 1.54 1.13 0.66 -0.44 117.35 119.82 2k4n s TYR 77 Ca 0.07 -0.44 0.02 0.00 -1.41 0.00 0.00 57.07 55.31 2k4n s TYR 77 Cb -0.08 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.15 2k4n s TYR 77 CO 0.00 -1.04 -0.08 -0.59 -2.51 0.00 0.00 175.55 171.33 2k4n s PHE 78 N -3.95 0.91 -0.15 -3.49 -0.71 -0.89 -0.53 117.98 109.18 2k4n s PHE 78 Ca 0.15 -0.79 -0.05 0.00 -1.04 0.00 0.00 56.93 55.20 2k4n s PHE 78 Cb -0.02 -0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 41.24 2k4n s PHE 78 CO 0.05 -0.10 0.01 -1.21 -1.34 0.00 0.00 175.22 172.63 2k4n s GLU 79 N -3.29 3.61 0.66 1.99 2.02 -1.26 -1.05 118.70 121.38 2k4n s GLU 79 Ca 0.08 -0.42 -0.07 0.00 0.02 0.00 0.00 54.97 54.57 2k4n s GLU 79 Cb 0.01 -2.99 0.03 0.00 0.10 0.00 0.00 34.13 31.28 2k4n s GLU 79 CO -0.03 0.38 0.99 0.95 0.02 0.00 0.00 175.26 177.57 2k4n s THR 80 N 0.03 3.02 0.26 3.63 -4.23 0.29 -4.95 115.64 113.69 2k4n s THR 80 Ca 0.03 -0.03 0.33 0.00 -1.18 0.00 0.00 61.69 60.84 2k4n s THR 80 Cb -0.13 -3.26 0.36 0.00 1.34 0.00 0.00 72.50 70.81 2k4n s THR 80 CO 0.02 -0.29 2.05 0.17 -0.54 0.00 0.00 174.62 176.02 2k4n h LEU 81 N -0.45 0.00 -2.11 4.79 -0.00 -1.89 -1.72 115.31 113.93 2k4n h LEU 81 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 2k4n h LEU 81 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2k4n h LEU 81 CO 0.61 0.05 0.00 -0.90 -0.00 0.00 0.00 178.44 178.21 2k4n n ASP 82 N -3.22 3.15 -0.81 0.17 5.68 -1.26 -4.89 116.55 115.36 2k4n n ASP 82 Ca -0.01 -2.35 -0.10 0.00 -0.50 0.00 0.00 54.79 51.83 2k4n n ASP 82 Cb 0.27 -0.50 -0.04 0.00 -1.14 0.00 0.00 41.12 39.71 2k4n n ASP 82 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2k4n n ASN 83 N 0.45 -4.16 -4.78 -1.12 5.15 -0.65 -5.00 115.26 105.15 2k4n n ASN 83 Ca 0.15 0.23 -0.36 0.00 -0.60 0.00 0.00 54.58 54.00 2k4n n ASN 83 Cb 0.64 -2.62 -0.07 0.00 -0.53 0.00 0.00 39.78 37.19 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 -2.39 5.43 -0.33 3.44 1.01 -1.26 -4.86 120.40 121.44 2k4n s VAL 84 Ca 0.00 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 2k4n s VAL 84 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 2k4n s VAL 84 CO 0.00 0.50 0.20 -0.13 0.00 0.00 0.00 175.10 175.67 2k4n s ARG 85 N -0.10 3.41 -0.46 2.72 0.52 0.79 -0.55 118.95 125.28 2k4n s ARG 85 Ca 0.11 -0.68 -0.21 0.00 -0.52 0.00 0.00 55.73 54.43 2k4n s ARG 85 Cb -0.12 -3.70 0.03 0.00 0.52 0.00 0.00 34.95 31.69 2k4n s ARG 85 CO 0.00 -0.44 0.67 0.08 0.02 0.00 0.00 175.30 175.64 2k4n s VAL 86 N 1.67 4.80 -0.01 3.52 1.01 -0.22 0.00 120.40 131.17 2k4n s VAL 86 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2k4n s VAL 86 Cb -0.17 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2k4n s VAL 86 CO 0.09 -0.70 -0.09 -0.69 0.00 0.00 0.00 175.10 173.71 2k4n s VAL 87 N 2.89 3.48 0.04 2.92 1.01 0.14 -2.10 120.40 128.77 2k4n s VAL 87 Ca 0.22 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 2k4n s VAL 87 Cb -0.15 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.78 2k4n s VAL 87 CO 0.17 0.44 0.33 -0.89 0.00 0.00 0.00 175.10 175.16 2k4n s THR 88 N -0.93 0.07 -0.04 3.92 2.01 0.42 -2.36 115.64 118.74 2k4n s THR 88 Ca 0.15 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 2k4n s THR 88 Cb -0.11 -0.92 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 2k4n s THR 88 CO 0.05 -0.34 1.66 -1.81 -0.69 0.00 0.00 174.62 173.50 2k4n s ASP 89 N -1.99 6.66 0.22 3.53 1.11 -1.26 -1.03 116.67 123.91 2k4n s ASP 89 Ca -0.06 2.27 -0.05 0.00 0.18 0.00 0.00 52.55 54.89 2k4n s ASP 89 Cb -0.01 -2.54 0.21 0.00 1.07 0.00 0.00 42.92 41.65 2k4n s ASP 89 CO -0.02 -0.92 1.71 0.22 1.18 0.00 0.00 175.17 177.33 2k4n h TYR 90 N 9.46 1.00 0.23 4.23 3.20 -1.84 -2.69 116.97 130.57 2k4n h TYR 90 Ca -0.40 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 61.33 2k4n h TYR 90 Cb 1.18 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 2k4n h TYR 90 CO 0.88 0.90 -0.36 1.03 -1.64 0.00 0.00 178.16 178.97 2k4n h SER 91 N 0.86 -1.03 0.18 -2.11 0.87 -1.91 0.88 113.55 111.29 2k4n h SER 91 Ca 0.16 0.10 -0.15 0.00 -1.23 0.00 0.00 61.79 60.67 2k4n h SER 91 Cb 0.50 0.37 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 2k4n h SER 91 CO 0.02 -0.47 -0.56 -0.08 -0.53 0.00 0.00 176.83 175.20 2k4n h GLU 92 N -0.67 0.40 -0.56 2.24 4.57 -1.95 -2.56 114.58 116.05 2k4n h GLU 92 Ca 0.00 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 57.88 2k4n h GLU 92 Cb 0.65 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 2k4n h GLU 92 CO -0.14 0.86 0.18 0.35 -1.18 0.00 0.00 179.01 179.07 2k4n h PHE 93 N 0.31 0.90 -0.11 0.92 3.57 -1.24 -2.48 116.94 118.82 2k4n h PHE 93 Ca 0.00 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.35 2k4n h PHE 93 Cb 1.08 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 2k4n h PHE 93 CO 0.03 0.76 -0.23 1.96 -2.23 0.00 0.00 178.31 178.60 2k4n h GLN 94 N 0.78 0.18 -0.54 1.11 1.08 -0.68 -2.04 115.11 115.00 2k4n h GLN 94 Ca 0.18 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.34 2k4n h GLN 94 Cb 0.28 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 2k4n h GLN 94 CO -0.01 0.41 0.35 0.87 -0.95 0.00 0.00 178.83 179.50 2k4n h LYS 95 N 0.17 0.68 -0.19 1.46 1.57 -1.04 0.02 116.57 119.23 2k4n h LYS 95 Ca 0.03 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2k4n h LYS 95 Cb 0.51 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 2k4n h LYS 95 CO 0.03 0.45 -0.05 0.82 -0.57 0.00 0.00 179.45 180.13 2k4n h ILE 96 N 0.70 0.80 -0.49 1.86 2.04 -1.00 0.32 117.51 121.74 2k4n h ILE 96 Ca 0.20 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.01 2k4n h ILE 96 Cb -0.05 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2k4n h ILE 96 CO -0.06 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 178.11 2k4n h LEU 97 N -0.01 0.71 -0.48 1.44 3.38 -1.30 -2.00 115.31 117.06 2k4n h LEU 97 Ca 0.09 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2k4n h LEU 97 Cb 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2k4n h LEU 97 CO -0.20 0.71 -0.03 0.50 0.09 0.00 0.00 178.44 179.51 2k4n h LYS 98 N 0.73 0.86 -0.53 1.13 3.64 -0.01 -1.88 116.57 120.51 2k4n h LYS 98 Ca 0.16 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2k4n h LYS 98 Cb 0.31 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2k4n h LYS 98 CO 0.00 0.92 0.09 0.87 -2.27 0.00 0.00 179.45 179.06 2k4n h LYS 99 N 0.71 0.83 -0.14 1.90 1.57 -0.08 -2.04 116.57 119.33 2k4n h LYS 99 Ca 0.13 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 2k4n h LYS 99 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2k4n h LYS 99 CO 0.03 0.78 -0.31 0.00 -0.57 0.00 0.00 179.45 179.38 2k4n h ARG 100 N 0.79 0.26 -0.78 3.15 3.08 -1.18 -3.47 114.38 116.23 2k4n h ARG 100 Ca 0.17 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2k4n h ARG 100 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2k4n h ARG 100 CO 0.01 0.55 -0.03 0.41 -1.07 0.00 0.00 179.97 179.84 2k4n n GLY 101 N -0.41 0.68 3.71 0.04 0.00 -0.73 -5.00 105.19 103.48 2k4n n GLY 101 Ca -0.01 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.64 3.66 -0.12 2.61 2.01 -1.05 -5.00 115.64 115.11 2k4n s THR 102 Ca 0.01 1.17 -0.19 0.00 0.31 0.00 0.00 61.69 63.00 2k4n s THR 102 Cb -0.01 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2k4n s THR 102 CO 0.02 0.08 0.50 -0.54 -0.69 0.00 0.00 174.62 173.98 2k4n s LYS 103 N 1.29 4.34 0.00 4.92 1.02 -1.26 -4.93 119.74 125.13 2k4n s LYS 103 Ca 0.62 0.48 0.18 0.00 0.02 0.00 0.00 55.97 57.27 2k4n s LYS 103 Cb -0.33 -3.44 1.03 0.00 -0.52 0.00 0.00 37.83 34.57 2k4n s LYS 103 CO 0.29 0.14 1.67 1.28 -0.92 0.00 0.00 175.35 177.81 2k4n n LEU 104 N 3.73 0.13 -4.48 3.17 4.77 -1.26 -4.67 117.00 118.39 2k4n n LEU 104 Ca -0.06 -0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.43 2k4n n LEU 104 Cb 0.52 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2k4n n LEU 104 CO 0.43 0.03 0.19 -1.61 -1.33 0.00 0.00 177.39 175.10 2k4n s GLU 105 N -1.98 3.13 -0.91 3.23 2.02 -1.26 -5.01 118.70 117.91 2k4n s GLU 105 Ca 0.27 -0.73 -0.18 0.00 0.02 0.00 0.00 54.97 54.35 2k4n s GLU 105 Cb 0.13 -3.99 0.14 0.00 0.10 0.00 0.00 34.13 30.51 2k4n s GLU 105 CO 0.21 -0.94 1.08 -1.01 0.02 0.00 0.00 175.26 174.63 2k4n s HIS 106 N 2.31 3.19 -0.12 1.61 3.76 -1.26 -5.02 115.29 119.75 2k4n s HIS 106 Ca 0.14 -1.45 -0.26 0.00 -0.15 0.00 0.00 55.06 53.34 2k4n s HIS 106 Cb -0.17 -4.23 -0.02 0.00 1.11 0.00 0.00 32.58 29.27 2k4n s HIS 106 CO 0.14 -1.43 0.86 -1.01 -0.85 0.00 0.00 174.74 172.45 2k4n s HIS 107 N 2.41 3.49 -0.51 1.40 3.76 -1.26 -5.01 115.29 119.57 2k4n s HIS 107 Ca 0.31 1.37 -0.25 0.00 -0.15 0.00 0.00 55.06 56.34 2k4n s HIS 107 Cb -0.06 -3.03 0.03 0.00 1.11 0.00 0.00 32.58 30.64 2k4n s HIS 107 CO -0.09 -0.16 0.92 -1.58 -0.85 0.00 0.00 174.74 172.97 2k4n s HIS 108 N 1.79 2.86 0.58 1.40 5.65 -1.26 -5.04 115.29 121.28 2k4n s HIS 108 Ca 0.42 0.16 -0.00 0.00 0.25 0.00 0.00 55.06 55.88 2k4n s HIS 108 Cb -0.18 -3.99 0.04 0.00 -1.18 0.00 0.00 32.58 27.27 2k4n s HIS 108 CO 0.16 -1.22 0.83 -1.01 -0.65 0.00 0.00 174.74 172.85 2k4n s HIS 109 N 3.80 2.88 -0.12 3.88 3.76 -1.26 -5.04 115.29 123.20 2k4n s HIS 109 Ca 0.33 0.09 -0.28 0.00 -0.15 0.00 0.00 55.06 55.05 2k4n s HIS 109 Cb -0.12 -2.84 -0.26 0.00 1.11 0.00 0.00 32.58 30.47 2k4n s HIS 109 CO 0.22 -0.98 0.81 1.25 -0.85 0.00 0.00 174.74 175.20 2k4n h HIS 110 N -0.07 0.08 0.00 1.40 2.76 -2.08 -3.57 115.15 113.67 2k4n h HIS 110 Ca -0.43 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2k4n h HIS 110 Cb 1.30 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.26 2k4n h HIS 110 CO 0.36 1.02 0.00 1.58 -1.30 0.00 0.00 177.93 179.59