#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 6.38 0.53 7.83 -0.87 -1.26 -4.20 114.94 123.35 2k4n s ASN 2 Ca 0.00 0.33 0.21 0.00 -1.57 0.00 0.00 52.86 51.83 2k4n s ASN 2 Cb 0.00 -1.98 1.41 0.00 -0.02 0.00 0.00 41.25 40.66 2k4n s ASN 2 CO 0.00 0.01 2.14 0.77 -2.57 0.00 0.00 177.10 177.46 2k4n h SER 3 N 2.21 0.00 -0.51 -1.22 4.64 -1.97 -2.14 113.55 114.56 2k4n h SER 3 Ca -0.48 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.88 2k4n h SER 3 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 2k4n h SER 3 CO 0.69 0.05 0.27 -0.08 -0.87 0.00 0.00 176.83 176.90 2k4n h GLU 4 N 0.00 0.52 -0.77 4.77 4.57 -1.99 0.60 114.58 122.27 2k4n h GLU 4 Ca -0.00 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2k4n h GLU 4 Cb 0.10 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 2k4n h GLU 4 CO 0.01 0.34 0.33 0.28 -1.18 0.00 0.00 179.01 178.79 2k4n h VAL 5 N 0.53 1.25 -0.36 0.32 2.07 -1.80 -0.61 116.25 117.66 2k4n h VAL 5 Ca 0.22 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2k4n h VAL 5 Cb 0.11 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2k4n h VAL 5 CO -0.14 0.32 0.17 0.40 0.02 0.00 0.00 177.57 178.34 2k4n h ILE 6 N 1.11 1.17 -0.26 4.57 2.04 -1.28 -0.04 117.51 124.82 2k4n h ILE 6 Ca 0.26 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.67 2k4n h ILE 6 Cb 0.18 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2k4n h ILE 6 CO -0.03 0.18 0.05 0.11 0.00 0.00 0.00 178.15 178.46 2k4n h LYS 7 N 0.45 0.14 -0.29 2.37 1.57 -0.37 0.11 116.57 120.55 2k4n h LYS 7 Ca 0.12 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2k4n h LYS 7 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2k4n h LYS 7 CO -0.02 0.10 0.17 0.93 -0.57 0.00 0.00 179.45 180.06 2k4n h GLU 8 N 0.15 0.34 -0.18 3.15 4.39 -0.90 -1.39 114.58 120.14 2k4n h GLU 8 Ca 0.12 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2k4n h GLU 8 Cb 0.12 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2k4n h GLU 8 CO -0.15 0.23 0.06 0.35 -1.16 0.00 0.00 179.01 178.34 2k4n h PHE 9 N 0.35 0.28 -0.26 4.33 3.57 -0.66 -0.46 116.94 124.10 2k4n h PHE 9 Ca 0.11 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2k4n h PHE 9 Cb -0.01 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2k4n h PHE 9 CO -0.07 0.35 0.13 -0.07 -2.23 0.00 0.00 178.31 176.42 2k4n h LEU 10 N 0.12 0.34 0.00 0.59 3.38 -0.69 -1.70 115.31 117.35 2k4n h LEU 10 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k4n h LEU 10 Cb 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2k4n h LEU 10 CO -0.00 0.37 0.00 -0.62 0.09 0.00 0.00 178.44 178.27 2k4n n GLU 11 N -4.81 0.37 -0.00 1.13 1.02 -0.53 0.07 120.64 117.88 2k4n n GLU 11 Ca -0.03 0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 56.94 2k4n n GLU 11 Cb 0.10 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.88 2k4n n GLU 11 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2k4n h ASP 12 N 0.00 0.30 1.07 1.62 3.58 -0.43 -3.32 116.42 119.24 2k4n h ASP 12 Ca 0.00 -0.90 0.00 0.00 0.42 0.00 0.00 57.03 56.55 2k4n h ASP 12 Cb 0.29 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2k4n h ASP 12 CO 0.00 1.38 0.00 2.30 -2.88 0.00 0.00 179.24 180.04 2k4n n ILE 13 N -4.20 0.44 -0.51 2.25 -5.35 -0.70 -4.90 119.36 106.38 2k4n n ILE 13 Ca -0.17 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2k4n n ILE 13 Cb 0.76 -0.67 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 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 1.06 1.44 3.78 3.28 0.00 -0.53 -5.07 105.19 109.15 2k4n n GLY 14 Ca 0.05 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.64 4.32 -0.37 1.61 2.56 0.11 -4.98 118.70 120.31 2k4n s GLU 15 Ca 0.00 0.82 -0.11 0.00 0.00 0.00 0.00 54.97 55.68 2k4n s GLU 15 Cb 0.00 -3.30 0.03 0.00 2.00 0.00 0.00 34.13 32.86 2k4n s GLU 15 CO 0.00 0.48 0.21 0.34 -0.56 0.00 0.00 175.26 175.72 2k4n s ASP 16 N -0.60 5.73 0.15 -1.70 2.15 -1.26 -4.33 116.67 116.81 2k4n s ASP 16 Ca 0.32 -0.96 0.04 0.00 0.43 0.00 0.00 52.55 52.37 2k4n s ASP 16 Cb -0.19 -2.03 -0.04 0.00 -0.30 0.00 0.00 42.92 40.36 2k4n s ASP 16 CO 0.19 -0.38 0.21 -0.72 -0.17 0.00 0.00 175.17 174.31 2k4n s TYR 17 N 1.56 3.32 -0.54 -5.34 -0.85 -1.26 -4.93 117.35 109.31 2k4n s TYR 17 Ca 0.02 0.06 -0.17 0.00 -0.52 0.00 0.00 57.07 56.45 2k4n s TYR 17 Cb -0.19 -1.59 0.10 0.00 0.38 0.00 0.00 41.96 40.65 2k4n s TYR 17 CO 0.07 0.52 0.56 0.42 -1.52 0.00 0.00 175.55 175.60 2k4n s ILE 18 N -1.73 5.03 -0.29 -3.49 1.01 -0.65 -4.95 121.20 116.13 2k4n s ILE 18 Ca 0.33 -1.07 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 2k4n s ILE 18 Cb -0.11 -4.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 2k4n s ILE 18 CO 0.26 -0.88 0.11 -0.70 0.00 0.00 0.00 174.94 173.73 2k4n s GLU 19 N 2.13 3.37 0.00 2.79 2.12 -1.26 -0.17 118.70 127.68 2k4n s GLU 19 Ca 0.08 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.73 2k4n s GLU 19 Cb -0.25 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.69 2k4n s GLU 19 CO 0.06 -0.36 0.00 1.28 -0.54 0.00 0.00 175.26 175.71 2k4n n LEU 20 N 4.94 0.00 -4.55 2.70 7.99 0.16 -4.94 117.00 123.29 2k4n n LEU 20 Ca -0.15 0.00 -0.38 0.00 -0.01 0.00 0.00 56.01 55.48 2k4n n LEU 20 Cb 0.49 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.77 2k4n n LEU 20 CO 0.32 -0.41 1.67 -0.70 -1.51 0.00 0.00 177.39 176.76 2k4n s GLU 21 N -1.48 2.53 -1.46 3.23 2.12 -1.26 -2.50 118.70 119.88 2k4n s GLU 21 Ca 0.00 0.72 -0.02 0.00 0.36 0.00 0.00 54.97 56.03 2k4n s GLU 21 Cb 0.00 -4.43 0.00 0.00 0.26 0.00 0.00 34.13 29.96 2k4n s GLU 21 CO 0.00 -2.84 0.30 0.09 -0.54 0.00 0.00 175.26 172.26 2k4n n ASN 22 N 13.32 -5.48 -3.67 -1.70 3.02 -1.26 -4.96 115.26 114.54 2k4n n ASN 22 Ca 0.23 -0.15 -0.24 0.00 -0.03 0.00 0.00 54.58 54.39 2k4n n ASN 22 Cb 0.52 -4.42 -0.17 0.00 -0.61 0.00 0.00 39.78 35.11 2k4n n ASN 22 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k4n s GLU 23 N -5.27 0.19 -0.48 3.52 2.02 -1.04 -0.02 118.70 117.61 2k4n s GLU 23 Ca 0.15 0.00 -0.16 0.00 0.02 0.00 0.00 54.97 54.98 2k4n s GLU 23 Cb -0.07 -1.44 0.08 0.00 0.10 0.00 0.00 34.13 32.81 2k4n s GLU 23 CO 0.18 -0.53 0.42 0.42 0.02 0.00 0.00 175.26 175.77 2k4n s ILE 24 N 2.08 5.22 -0.40 -1.63 1.01 -0.17 0.36 121.20 127.67 2k4n s ILE 24 Ca 0.03 -1.10 -0.21 0.00 0.00 0.00 0.00 60.65 59.36 2k4n s ILE 24 Cb -0.15 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.18 2k4n s ILE 24 CO -0.07 -0.63 0.66 -1.00 0.00 0.00 0.00 174.94 173.91 2k4n s HIS 25 N 1.67 3.09 0.33 3.97 3.76 0.76 -0.40 115.29 128.48 2k4n s HIS 25 Ca 0.04 0.16 0.05 0.00 -0.15 0.00 0.00 55.06 55.17 2k4n s HIS 25 Cb -0.25 -3.30 0.05 0.00 1.11 0.00 0.00 32.58 30.19 2k4n s HIS 25 CO 0.06 -0.78 0.43 1.28 -0.85 0.00 0.00 174.74 174.89 2k4n n LEU 26 N 6.23 0.00 -4.87 0.89 4.77 -0.78 -1.64 117.00 121.61 2k4n n LEU 26 Ca -0.01 -1.48 -0.35 0.00 -0.03 0.00 0.00 56.01 54.14 2k4n n LEU 26 Cb 0.48 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 2k4n n LEU 26 CO 0.52 -0.60 0.03 -0.54 -1.33 0.00 0.00 177.39 175.47 2k4n s LYS 27 N -3.50 3.71 0.27 3.23 1.02 -1.26 -4.75 119.74 118.46 2k4n s LYS 27 Ca 0.33 0.11 -0.09 0.00 0.02 0.00 0.00 55.97 56.35 2k4n s LYS 27 Cb -0.03 -3.06 0.43 0.00 -0.52 0.00 0.00 37.83 34.66 2k4n s LYS 27 CO 0.21 0.61 1.58 -1.35 -0.92 0.00 0.00 175.35 175.48 2k4n h PRO 28 N 3.96 0.00 -0.21 -1.68 0.10 -1.94 0.88 132.00 133.11 2k4n h PRO 28 Ca -0.50 -0.00 -0.19 0.00 0.10 0.00 0.00 66.00 65.41 2k4n h PRO 28 Cb 1.20 -0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.30 2k4n h PRO 28 CO 0.65 0.00 -0.62 1.49 0.10 0.00 0.00 178.00 179.63 2k4n h GLU 29 N 0.00 0.79 -0.54 1.05 4.81 -1.95 -2.70 114.58 116.05 2k4n h GLU 29 Ca 0.45 -0.57 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 2k4n h GLU 29 Cb 0.70 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 2k4n h GLU 29 CO -0.94 1.19 -0.08 0.28 -0.73 0.00 0.00 179.01 178.72 2k4n h VAL 30 N 0.53 1.27 -0.98 0.32 2.07 -1.65 -2.61 116.25 115.20 2k4n h VAL 30 Ca -0.02 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.30 2k4n h VAL 30 Cb 1.24 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 2k4n h VAL 30 CO 0.13 0.43 0.64 0.15 0.02 0.00 0.00 177.57 178.95 2k4n h PHE 31 N 0.88 1.21 -0.29 1.57 3.57 -0.87 -0.92 116.94 122.08 2k4n h PHE 31 Ca 0.14 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2k4n h PHE 31 Cb 0.64 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2k4n h PHE 31 CO 0.05 0.72 0.13 -0.92 -2.23 0.00 0.00 178.31 176.06 2k4n h TYR 32 N 1.27 0.39 0.17 0.41 3.20 -1.13 0.90 116.97 122.18 2k4n h TYR 32 Ca 0.38 -0.00 -0.22 0.00 3.14 0.00 0.00 58.73 62.02 2k4n h TYR 32 Cb -0.06 -0.13 0.03 0.00 1.54 0.00 0.00 36.73 38.11 2k4n h TYR 32 CO -0.00 0.30 -0.96 0.93 -1.64 0.00 0.00 178.16 176.78 2k4n h GLU 33 N 0.41 0.35 -0.20 1.82 4.39 -1.11 -3.30 114.58 116.94 2k4n h GLU 33 Ca 0.10 -0.60 -0.07 0.00 0.34 0.00 0.00 59.36 59.14 2k4n h GLU 33 Cb 0.06 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2k4n h GLU 33 CO -0.01 1.29 -0.17 0.28 -1.16 0.00 0.00 179.01 179.23 2k4n h VAL 34 N -0.26 1.22 -1.00 3.13 2.07 -0.92 -2.34 116.25 118.15 2k4n h VAL 34 Ca -0.17 -1.00 0.15 0.00 0.82 0.00 0.00 66.70 66.50 2k4n h VAL 34 Cb 1.76 1.26 -0.10 0.00 -1.52 0.00 0.00 31.29 32.69 2k4n h VAL 34 CO 0.18 0.31 0.62 -0.25 0.02 0.00 0.00 177.57 178.45 2k4n h TRP 35 N 0.32 1.11 -0.25 1.57 7.01 -0.90 0.64 115.95 125.44 2k4n h TRP 35 Ca 0.06 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.94 2k4n h TRP 35 Cb 0.49 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2k4n h TRP 35 CO 0.01 0.35 -0.45 0.87 -2.79 0.00 0.00 178.44 176.43 2k4n h LYS 36 N 0.89 0.65 -0.01 2.65 1.57 -1.50 -0.69 116.57 120.13 2k4n h LYS 36 Ca 0.53 -0.36 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 2k4n h LYS 36 Cb 0.68 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2k4n h LYS 36 CO -0.32 0.97 -0.66 -0.92 -0.57 0.00 0.00 179.45 177.95 2k4n h TYR 37 N 0.52 0.06 0.00 -1.35 3.20 -0.82 -2.65 116.97 115.93 2k4n h TYR 37 Ca 0.03 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2k4n h TYR 37 Cb 0.99 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.25 2k4n h TYR 37 CO 0.05 0.69 0.00 1.33 -1.64 0.00 0.00 178.16 178.59 2k4n n VAL 38 N -3.77 0.10 0.00 1.81 0.24 0.02 -4.79 118.33 111.94 2k4n n VAL 38 Ca -0.01 0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2k4n n VAL 38 Cb 0.65 -0.64 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 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 0.58 1.24 3.21 7.63 0.00 -1.00 -4.63 105.19 112.22 2k4n n GLY 39 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.32 -1.75 -1.56 1.61 2.13 -0.27 -4.99 120.64 115.49 2k4n n GLU 40 Ca 0.00 1.12 -0.07 0.00 0.66 0.00 0.00 57.16 58.87 2k4n n GLU 40 Cb 0.00 -5.61 0.03 0.00 0.27 0.00 0.00 31.44 26.13 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 -2.62 0.74 -2.60 5.31 -0.04 -1.26 -5.03 135.00 129.49 2k4n n PRO 41 Ca -0.05 -1.01 -0.43 0.00 -0.04 0.00 0.00 63.50 61.97 2k4n n PRO 41 Cb 0.57 -0.12 -0.02 0.00 -0.04 0.00 0.00 33.50 33.89 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 -2.99 4.06 0.62 0.54 2.02 -1.26 -5.01 118.70 116.69 2k4n s GLU 42 Ca 0.21 1.13 -0.14 0.00 0.02 0.00 0.00 54.97 56.19 2k4n s GLU 42 Cb -0.02 -3.75 -0.02 0.00 0.10 0.00 0.00 34.13 30.44 2k4n s GLU 42 CO 0.13 -0.91 1.05 -0.51 0.02 0.00 0.00 175.26 175.04 2k4n s LEU 43 N 3.72 3.37 -0.16 1.80 1.43 -1.26 -5.04 118.68 122.55 2k4n s LEU 43 Ca 0.47 1.71 -0.03 0.00 -1.03 0.00 0.00 54.13 55.25 2k4n s LEU 43 Cb -0.13 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.55 2k4n s LEU 43 CO 0.16 -1.20 -0.05 -0.75 0.23 0.00 0.00 176.35 174.74 2k4n s LYS 44 N -4.45 3.61 0.08 1.70 2.20 0.01 -4.94 119.74 117.95 2k4n s LYS 44 Ca 0.61 -0.55 0.05 0.00 -0.36 0.00 0.00 55.97 55.72 2k4n s LYS 44 Cb -0.15 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 2k4n s LYS 44 CO 0.43 0.21 -0.01 0.95 -0.36 0.00 0.00 175.35 176.57 2k4n s THR 45 N 0.43 3.95 0.11 3.43 -4.23 -1.26 -0.45 115.64 117.63 2k4n s THR 45 Ca -0.05 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 2k4n s THR 45 Cb -0.14 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 2k4n s THR 45 CO 0.03 0.14 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.46 2k4n s TYR 46 N -1.28 0.97 -0.22 3.99 1.13 -0.36 -4.99 117.35 116.59 2k4n s TYR 46 Ca 0.25 -0.87 -0.04 0.00 -1.41 0.00 0.00 57.07 55.00 2k4n s TYR 46 Cb -0.12 -0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 40.19 2k4n s TYR 46 CO 0.17 -0.10 -0.05 0.08 -2.51 0.00 0.00 175.55 173.15 2k4n s VAL 47 N -3.52 3.36 -0.27 -3.49 1.01 -1.26 -0.95 120.40 115.27 2k4n s VAL 47 Ca 0.13 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2k4n s VAL 47 Cb 0.04 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2k4n s VAL 47 CO -0.03 0.43 0.03 -0.51 0.00 0.00 0.00 175.10 175.01 2k4n s ILE 48 N 1.44 3.62 -0.29 2.22 2.07 0.82 -4.94 121.20 126.14 2k4n s ILE 48 Ca 0.05 -0.75 -0.15 0.00 -1.41 0.00 0.00 60.65 58.38 2k4n s ILE 48 Cb -0.14 -2.84 -0.03 0.00 0.13 0.00 0.00 42.46 39.58 2k4n s ILE 48 CO -0.03 0.15 0.39 -1.61 -1.91 0.00 0.00 174.94 171.93 2k4n s GLU 49 N 1.45 3.92 0.04 3.50 2.02 -1.26 -1.18 118.70 127.20 2k4n s GLU 49 Ca 0.02 -0.02 0.09 0.00 0.02 0.00 0.00 54.97 55.08 2k4n s GLU 49 Cb -0.17 -3.69 -0.03 0.00 0.10 0.00 0.00 34.13 30.35 2k4n s GLU 49 CO 0.00 -0.35 -0.25 0.34 0.02 0.00 0.00 175.26 175.02 2k4n s ASP 50 N 1.66 2.99 -0.28 -0.19 2.15 -0.81 -4.93 116.67 117.26 2k4n s ASP 50 Ca 0.15 -0.57 -0.10 0.00 0.43 0.00 0.00 52.55 52.47 2k4n s ASP 50 Cb -0.16 -0.27 -0.03 0.00 -0.30 0.00 0.00 42.92 42.16 2k4n s ASP 50 CO 0.10 0.24 0.15 -1.61 -0.17 0.00 0.00 175.17 173.88 2k4n s GLU 51 N -1.21 3.66 0.25 4.34 2.02 -1.26 -0.07 118.70 126.44 2k4n s GLU 51 Ca 0.11 -0.50 -0.30 0.00 0.02 0.00 0.00 54.97 54.30 2k4n s GLU 51 Cb -0.10 -3.54 -0.09 0.00 0.10 0.00 0.00 34.13 30.50 2k4n s GLU 51 CO 0.02 -0.26 1.11 -1.50 0.02 0.00 0.00 175.26 174.64 2k4n s ILE 52 N 1.67 3.56 -0.08 -1.63 2.07 -0.43 -4.96 121.20 121.40 2k4n s ILE 52 Ca 0.06 1.50 -0.19 0.00 -1.41 0.00 0.00 60.65 60.60 2k4n s ILE 52 Cb -0.16 -3.95 -0.04 0.00 0.13 0.00 0.00 42.46 38.43 2k4n s ILE 52 CO 0.07 0.33 0.53 0.68 -1.91 0.00 0.00 174.94 174.65 2k4n s VAL 53 N -0.88 5.11 0.53 4.00 -7.23 -1.26 -3.82 120.40 116.85 2k4n s VAL 53 Ca 0.46 1.09 -0.05 0.00 -1.81 0.00 0.00 61.98 61.67 2k4n s VAL 53 Cb -0.32 -3.87 -0.01 0.00 0.56 0.00 0.00 36.38 32.74 2k4n s VAL 53 CO 0.40 0.34 0.83 -1.61 -0.31 0.00 0.00 175.10 174.75 2k4n s GLU 54 N 0.44 3.21 -0.11 4.82 0.41 -1.26 -4.99 118.70 121.21 2k4n s GLU 54 Ca 0.29 0.05 -0.34 0.00 -0.41 0.00 0.00 54.97 54.55 2k4n s GLU 54 Cb -0.16 -2.34 -0.12 0.00 -1.78 0.00 0.00 34.13 29.73 2k4n s GLU 54 CO 0.13 -0.44 1.90 -2.30 -0.49 0.00 0.00 175.26 174.06 2k4n n PRO 55 N -2.40 2.09 -2.64 0.39 -0.02 -1.26 -4.87 135.00 126.30 2k4n n PRO 55 Ca 0.02 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 62.18 2k4n n PRO 55 Cb 0.56 -2.63 0.03 0.00 -0.02 0.00 0.00 33.50 31.45 2k4n n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k4n n GLY 56 N 4.52 2.72 1.00 -1.23 0.00 -1.26 -4.96 105.19 105.99 2k4n n GLY 56 Ca 0.24 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 2k4n n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k4n n GLU 57 N -0.43 -1.59 0.23 1.61 1.02 -1.26 -4.90 120.64 115.32 2k4n n GLU 57 Ca 0.16 -0.50 0.08 0.00 -0.02 0.00 0.00 57.16 56.88 2k4n n GLU 57 Cb 0.82 -0.46 0.56 0.00 -0.02 0.00 0.00 31.44 32.33 2k4n n GLU 57 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2k4n h TYR 58 N -1.84 0.00 -2.22 -0.32 3.20 -2.05 -3.38 116.97 110.35 2k4n h TYR 58 Ca -0.12 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.48 2k4n h TYR 58 Cb 0.36 0.00 -0.33 0.00 1.54 0.00 0.00 36.73 38.29 2k4n h TYR 58 CO 0.00 0.21 -0.59 0.34 -1.64 0.00 0.00 178.16 176.48 2k4n s ASP 59 N -6.58 1.14 0.12 -2.11 2.15 -1.26 -5.15 116.67 104.98 2k4n s ASP 59 Ca -0.03 -0.27 -0.24 0.00 0.43 0.00 0.00 52.55 52.44 2k4n s ASP 59 Cb 0.14 0.63 -0.07 0.00 -0.30 0.00 0.00 42.92 43.32 2k4n s ASP 59 CO 0.65 -0.34 0.73 -2.16 -0.17 0.00 0.00 175.17 173.89 2k4n s PRO 60 N 2.40 4.48 0.49 4.34 0.04 -1.26 -4.96 135.00 140.52 2k4n s PRO 60 Ca 0.09 1.05 0.28 0.00 0.04 0.00 0.00 61.00 62.46 2k4n s PRO 60 Cb -0.15 -3.28 1.13 0.00 0.04 0.00 0.00 34.50 32.23 2k4n s PRO 60 CO -0.20 0.51 1.90 -1.00 0.04 0.00 0.00 177.00 178.26 2k4n h PRO 61 N 4.70 0.00 0.00 0.56 0.13 -1.99 -3.44 132.00 131.96 2k4n h PRO 61 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k4n h PRO 61 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k4n h PRO 61 CO 0.67 0.13 0.00 0.39 -0.23 0.00 0.00 178.00 178.95 2k4n n GLU 62 N -3.29 2.45 -1.15 0.86 -0.58 -1.26 -5.09 120.64 112.59 2k4n n GLU 62 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 2k4n n GLU 62 Cb 0.37 0.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.39 2k4n n GLU 62 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2k4n s MET 63 N 2.10 0.94 0.00 3.49 -1.94 -1.26 -4.92 119.30 117.70 2k4n s MET 63 Ca 0.00 0.77 0.24 0.00 -1.71 0.00 0.00 55.69 54.99 2k4n s MET 63 Cb 0.00 -1.78 1.08 0.00 2.01 0.00 0.00 34.83 36.14 2k4n s MET 63 CO 0.00 -2.45 1.78 1.63 -0.01 0.00 0.00 175.02 175.97 2k4n n LYS 64 N -4.02 0.10 -4.13 2.03 5.02 -1.26 -4.60 118.16 111.30 2k4n n LYS 64 Ca 0.06 0.08 -0.17 0.00 -2.02 0.00 0.00 58.31 56.26 2k4n n LYS 64 Cb 0.56 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.91 2k4n n LYS 64 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2k4n s TYR 65 N -2.88 0.53 0.19 2.13 2.02 -1.26 -5.07 117.35 113.01 2k4n s TYR 65 Ca 0.15 -0.11 0.04 0.00 -0.37 0.00 0.00 57.07 56.78 2k4n s TYR 65 Cb 0.16 -0.43 -0.01 0.00 -0.40 0.00 0.00 41.96 41.27 2k4n s TYR 65 CO 0.42 -0.08 0.14 -2.37 -1.57 0.00 0.00 175.55 172.09 2k4n n THR 66 N 3.47 0.00 -2.96 -0.71 5.66 -1.26 -5.11 114.28 113.36 2k4n n THR 66 Ca -0.19 -1.34 -0.43 0.00 -3.05 0.00 0.00 64.05 59.03 2k4n n THR 66 Cb 0.55 0.64 -0.05 0.00 -1.55 0.00 0.00 70.33 69.92 2k4n n THR 66 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2k4n s ASN 67 N -2.31 6.22 0.22 1.09 0.01 -1.26 -5.02 114.94 113.90 2k4n s ASN 67 Ca 0.20 -0.90 -0.30 0.00 -0.71 0.00 0.00 52.86 51.15 2k4n s ASN 67 Cb 0.01 -2.37 -0.09 0.00 0.41 0.00 0.00 41.25 39.21 2k4n s ASN 67 CO 0.14 -1.22 1.25 -0.69 -1.51 0.00 0.00 177.10 175.07 2k4n s VAL 68 N 3.49 3.29 -0.24 1.60 1.01 -1.26 -4.92 120.40 123.38 2k4n s VAL 68 Ca 0.21 1.13 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 2k4n s VAL 68 Cb -0.18 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2k4n s VAL 68 CO 0.12 0.20 -0.01 -0.54 0.00 0.00 0.00 175.10 174.87 2k4n s LYS 69 N -0.57 3.38 -0.31 2.72 1.02 -1.25 -5.01 119.74 119.73 2k4n s LYS 69 Ca 0.53 -0.63 -0.23 0.00 0.02 0.00 0.00 55.97 55.65 2k4n s LYS 69 Cb -0.35 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 2k4n s LYS 69 CO 0.40 -0.23 0.77 0.15 -0.92 0.00 0.00 175.35 175.52 2k4n s LYS 70 N 1.50 3.93 -0.30 1.68 1.02 -1.26 -1.31 119.74 125.01 2k4n s LYS 70 Ca 0.05 0.53 -0.12 0.00 0.02 0.00 0.00 55.97 56.45 2k4n s LYS 70 Cb -0.15 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.39 2k4n s LYS 70 CO -0.01 -0.68 0.25 0.14 -0.92 0.00 0.00 175.35 174.12 2k4n s VAL 71 N 2.93 5.27 -0.89 3.17 -7.23 0.90 -4.93 120.40 119.63 2k4n s VAL 71 Ca 0.31 0.11 -0.23 0.00 -1.81 0.00 0.00 61.98 60.37 2k4n s VAL 71 Cb -0.14 -3.63 0.07 0.00 0.56 0.00 0.00 36.38 33.24 2k4n s VAL 71 CO 0.13 0.14 1.27 -0.54 -0.31 0.00 0.00 175.10 175.78 2k4n s LYS 72 N 1.82 3.44 -0.43 4.82 1.02 -1.26 -1.92 119.74 127.22 2k4n s LYS 72 Ca 0.08 -1.04 -0.21 0.00 0.02 0.00 0.00 55.97 54.83 2k4n s LYS 72 Cb -0.16 -4.84 0.02 0.00 -0.52 0.00 0.00 37.83 32.33 2k4n s LYS 72 CO 0.11 -2.04 0.63 0.42 -0.92 0.00 0.00 175.35 173.55 2k4n s ILE 73 N 4.48 4.84 -0.35 2.17 -1.09 -0.33 -4.91 121.20 126.02 2k4n s ILE 73 Ca 0.37 0.11 -0.18 0.00 -2.23 0.00 0.00 60.65 58.72 2k4n s ILE 73 Cb -0.05 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2k4n s ILE 73 CO -0.02 -0.58 0.51 -0.75 -1.23 0.00 0.00 174.94 172.88 2k4n s LYS 74 N 2.78 3.63 0.35 2.79 2.20 -1.26 -0.13 119.74 130.11 2k4n s LYS 74 Ca 0.22 -0.15 0.07 0.00 -0.36 0.00 0.00 55.97 55.75 2k4n s LYS 74 Cb -0.14 -3.80 -0.01 0.00 -1.51 0.00 0.00 37.83 32.36 2k4n s LYS 74 CO 0.19 -0.64 0.42 0.15 -0.36 0.00 0.00 175.35 175.11 2k4n s LYS 75 N 2.39 2.90 0.04 4.03 1.02 -0.13 -3.47 119.74 126.52 2k4n s LYS 75 Ca 0.19 -1.18 0.08 0.00 0.02 0.00 0.00 55.97 55.08 2k4n s LYS 75 Cb -0.15 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 2k4n s LYS 75 CO 0.13 0.00 -0.23 0.54 -0.92 0.00 0.00 175.35 174.87 2k4n s VAL 76 N -2.27 1.89 0.18 3.17 0.11 0.76 -1.23 120.40 123.02 2k4n s VAL 76 Ca 0.45 -1.26 -0.11 0.00 -2.93 0.00 0.00 61.98 58.13 2k4n s VAL 76 Cb -0.08 -1.62 -0.00 0.00 -1.53 0.00 0.00 36.38 33.15 2k4n s VAL 76 CO 0.30 0.31 0.36 -0.72 -3.33 0.00 0.00 175.10 172.01 2k4n s TYR 77 N -0.78 0.30 -0.05 1.54 -0.85 0.41 -0.24 117.35 117.67 2k4n s TYR 77 Ca 0.10 -0.65 0.05 0.00 -0.52 0.00 0.00 57.07 56.04 2k4n s TYR 77 Cb -0.09 0.07 -0.00 0.00 0.38 0.00 0.00 41.96 42.31 2k4n s TYR 77 CO 0.02 -0.80 -0.19 -0.59 -1.52 0.00 0.00 175.55 172.46 2k4n s PHE 78 N -3.96 1.92 -0.28 -3.49 -0.71 -0.96 -0.81 117.98 109.68 2k4n s PHE 78 Ca 0.17 -0.59 -0.09 0.00 -1.04 0.00 0.00 56.93 55.38 2k4n s PHE 78 Cb 0.02 -1.29 -0.02 0.00 -1.21 0.00 0.00 43.02 40.51 2k4n s PHE 78 CO 0.01 -0.20 0.13 -2.00 -1.34 0.00 0.00 175.22 171.82 2k4n s GLU 79 N 0.05 3.59 1.02 1.99 2.12 -1.26 -1.67 118.70 124.54 2k4n s GLU 79 Ca -0.06 -0.54 -0.17 0.00 0.36 0.00 0.00 54.97 54.56 2k4n s GLU 79 Cb -0.13 -3.51 0.23 0.00 0.26 0.00 0.00 34.13 30.99 2k4n s GLU 79 CO 0.03 -0.29 1.33 0.95 -0.54 0.00 0.00 175.26 176.75 2k4n s THR 80 N 1.65 1.96 -0.45 -1.70 -4.23 -0.69 -4.89 115.64 107.28 2k4n s THR 80 Ca 0.06 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.78 2k4n s THR 80 Cb -0.16 -2.95 0.22 0.00 1.34 0.00 0.00 72.50 70.95 2k4n s THR 80 CO 0.06 0.00 1.65 0.18 -0.54 0.00 0.00 174.62 175.98 2k4n n LEU 81 N -3.95 0.57 -0.22 4.79 4.32 -1.26 -1.40 117.00 119.85 2k4n n LEU 81 Ca 0.17 0.68 0.15 0.00 -0.02 0.00 0.00 56.01 56.98 2k4n n LEU 81 Cb 0.59 -0.65 0.66 0.00 -1.62 0.00 0.00 43.42 42.41 2k4n n LEU 81 CO 0.43 -0.66 0.93 0.47 -1.22 0.00 0.00 177.39 177.34 2k4n n ASP 82 N -2.17 0.74 -0.65 -1.43 9.92 -1.26 -4.88 116.55 116.82 2k4n n ASP 82 Ca 0.01 -1.04 -0.08 0.00 -0.53 0.00 0.00 54.79 53.14 2k4n n ASP 82 Cb 0.16 -0.01 -0.04 0.00 -0.64 0.00 0.00 41.12 40.59 2k4n n ASP 82 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k4n n ASN 83 N -0.55 -4.26 -4.66 -2.24 3.02 -0.49 -4.99 115.26 101.09 2k4n n ASN 83 Ca 0.19 0.21 -0.40 0.00 -0.03 0.00 0.00 54.58 54.54 2k4n n ASN 83 Cb 0.26 -2.51 -0.05 0.00 -0.61 0.00 0.00 39.78 36.87 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 -2.24 4.99 -0.42 2.41 1.01 -1.26 -4.86 120.40 120.02 2k4n s VAL 84 Ca 0.00 1.30 -0.15 0.00 0.00 0.00 0.00 61.98 63.13 2k4n s VAL 84 Cb 0.00 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.42 2k4n s VAL 84 CO 0.00 0.09 0.32 -0.13 0.00 0.00 0.00 175.10 175.38 2k4n s ARG 85 N 1.96 2.97 -0.56 2.72 3.00 0.97 -1.71 118.95 128.30 2k4n s ARG 85 Ca 0.31 -1.10 -0.26 0.00 0.00 0.00 0.00 55.73 54.68 2k4n s ARG 85 Cb -0.16 -4.02 0.03 0.00 0.00 0.00 0.00 34.95 30.81 2k4n s ARG 85 CO 0.11 -0.82 1.07 0.08 0.00 0.00 0.00 175.30 175.75 2k4n s VAL 86 N 1.67 4.19 -0.04 3.52 1.01 -0.67 -1.00 120.40 129.09 2k4n s VAL 86 Ca 0.05 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 2k4n s VAL 86 Cb -0.20 -4.64 -0.03 0.00 0.00 0.00 0.00 36.38 31.51 2k4n s VAL 86 CO 0.09 -1.22 0.01 -0.69 0.00 0.00 0.00 175.10 173.29 2k4n s VAL 87 N 4.47 4.30 0.03 2.92 1.01 0.47 -2.27 120.40 131.33 2k4n s VAL 87 Ca 0.37 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 2k4n s VAL 87 Cb -0.10 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.44 2k4n s VAL 87 CO 0.23 0.48 0.38 -0.89 0.00 0.00 0.00 175.10 175.30 2k4n s THR 88 N -1.00 0.06 -0.04 3.92 2.01 0.66 -1.86 115.64 119.38 2k4n s THR 88 Ca 0.17 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.38 2k4n s THR 88 Cb -0.11 -0.90 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 2k4n s THR 88 CO 0.07 -0.27 1.79 -1.81 -0.69 0.00 0.00 174.62 173.71 2k4n s ASP 89 N -1.88 6.50 0.28 3.53 1.11 -1.26 -0.17 116.67 124.78 2k4n s ASP 89 Ca -0.07 2.32 -0.02 0.00 0.18 0.00 0.00 52.55 54.96 2k4n s ASP 89 Cb -0.01 -2.53 0.38 0.00 1.07 0.00 0.00 42.92 41.83 2k4n s ASP 89 CO -0.01 -1.06 1.84 0.22 1.18 0.00 0.00 175.17 177.34 2k4n h TYR 90 N 10.32 0.92 -0.46 4.23 3.20 -1.84 0.19 116.97 133.54 2k4n h TYR 90 Ca -0.43 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.38 2k4n h TYR 90 Cb 1.20 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 2k4n h TYR 90 CO 0.92 0.73 0.30 0.77 -1.64 0.00 0.00 178.16 179.23 2k4n h SER 91 N 0.88 0.53 0.84 -2.11 0.02 -1.90 -0.87 113.55 110.95 2k4n h SER 91 Ca 0.20 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.93 2k4n h SER 91 Cb 0.23 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2k4n h SER 91 CO -0.01 0.40 -0.92 -0.33 -1.14 0.00 0.00 176.83 174.82 2k4n h GLU 92 N 0.62 0.04 0.06 3.45 4.39 -1.86 -1.32 114.58 119.96 2k4n h GLU 92 Ca 0.17 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2k4n h GLU 92 Cb -0.06 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2k4n h GLU 92 CO -0.04 0.93 -0.03 0.35 -1.16 0.00 0.00 179.01 179.07 2k4n h PHE 93 N 0.02 -0.07 0.00 4.33 3.57 -0.34 -0.84 116.94 123.60 2k4n h PHE 93 Ca -0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2k4n h PHE 93 Cb 1.61 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.37 2k4n h PHE 93 CO 0.01 0.00 0.00 1.96 -2.23 0.00 0.00 178.31 178.05 2k4n h GLN 94 N -0.13 0.00 -0.10 1.11 4.20 -1.21 -1.77 115.11 117.21 2k4n h GLN 94 Ca -0.01 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 2k4n h GLN 94 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2k4n h GLN 94 CO 0.01 0.00 -0.44 -0.22 -0.67 0.00 0.00 178.83 177.52 2k4n h LYS 95 N 0.00 0.23 0.07 1.46 3.11 -0.79 0.30 116.57 120.96 2k4n h LYS 95 Ca 0.00 -0.12 -0.25 0.00 -2.81 0.00 0.00 60.65 57.48 2k4n h LYS 95 Cb 0.74 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.97 2k4n h LYS 95 CO 0.00 0.63 -1.11 0.82 -2.81 0.00 0.00 179.45 176.98 2k4n h ILE 96 N 0.19 1.54 -0.84 2.00 2.04 -0.71 0.28 117.51 122.01 2k4n h ILE 96 Ca 0.01 -3.02 0.01 0.00 1.00 0.00 0.00 64.86 62.87 2k4n h ILE 96 Cb 0.85 2.81 -0.04 0.00 -0.74 0.00 0.00 36.82 39.70 2k4n h ILE 96 CO 0.07 0.88 0.56 -0.07 0.00 0.00 0.00 178.15 179.58 2k4n h LEU 97 N 0.08 0.96 -0.71 1.44 3.38 -1.07 0.21 115.31 119.59 2k4n h LEU 97 Ca -0.09 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2k4n h LEU 97 Cb 1.82 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.31 2k4n h LEU 97 CO 0.17 0.69 0.19 0.50 0.09 0.00 0.00 178.44 180.09 2k4n h LYS 98 N 1.13 1.12 -0.55 1.13 3.11 -0.32 0.37 116.57 122.57 2k4n h LYS 98 Ca 0.31 -0.26 -0.02 0.00 -2.81 0.00 0.00 60.65 57.87 2k4n h LYS 98 Cb -0.13 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 30.93 2k4n h LYS 98 CO -0.07 0.98 0.28 -0.22 -2.81 0.00 0.00 179.45 177.61 2k4n h LYS 99 N 1.06 0.79 -0.13 1.90 3.64 -0.17 -3.00 116.57 120.66 2k4n h LYS 99 Ca 0.22 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2k4n h LYS 99 Cb 0.35 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2k4n h LYS 99 CO -0.00 0.63 -0.26 -0.09 -2.27 0.00 0.00 179.45 177.46 2k4n h ARG 100 N 0.74 0.40 0.00 1.90 2.43 -0.42 -3.48 114.38 115.96 2k4n h ARG 100 Ca 0.19 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2k4n h ARG 100 Cb 0.09 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2k4n h ARG 100 CO -0.03 0.87 0.00 0.41 -1.51 0.00 0.00 179.97 179.71 2k4n n GLY 101 N 0.44 1.85 3.59 2.80 0.00 0.11 -5.09 105.19 108.89 2k4n n GLY 101 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 4.61 -0.37 2.61 2.01 0.17 -5.01 115.64 117.66 2k4n s THR 102 Ca 0.00 1.04 -0.13 0.00 0.31 0.00 0.00 61.69 62.91 2k4n s THR 102 Cb 0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2k4n s THR 102 CO 0.00 -0.55 0.24 -0.75 -0.69 0.00 0.00 174.62 172.88 2k4n s LYS 103 N 3.40 3.06 -1.11 4.92 2.20 -1.26 -4.59 119.74 126.35 2k4n s LYS 103 Ca 0.36 -0.94 -0.05 0.00 -0.36 0.00 0.00 55.97 54.97 2k4n s LYS 103 Cb -0.12 -3.82 0.28 0.00 -1.51 0.00 0.00 37.83 32.66 2k4n s LYS 103 CO 0.19 -0.64 1.51 -0.11 -0.36 0.00 0.00 175.35 175.94 2k4n n LEU 104 N 5.08 6.36 0.00 5.43 7.94 -1.26 -5.01 117.00 135.54 2k4n n LEU 104 Ca -0.12 -5.11 0.00 0.00 -1.11 0.00 0.00 56.01 49.67 2k4n n LEU 104 Cb 0.47 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.10 2k4n n LEU 104 CO 0.38 1.60 0.00 -0.62 -1.11 0.00 0.00 177.39 177.64 2k4n n GLU 105 N 1.88 0.00 -2.95 1.96 1.02 -1.26 -3.85 120.64 117.43 2k4n n GLU 105 Ca 0.28 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 57.04 2k4n n GLU 105 Cb 0.34 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.76 2k4n n GLU 105 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2k4n n HIS 106 N -1.02 2.82 -1.98 -0.32 -0.00 -1.26 -5.03 115.22 108.44 2k4n n HIS 106 Ca 0.00 -2.97 -0.42 0.00 -0.00 0.00 0.00 57.72 54.33 2k4n n HIS 106 Cb 0.00 -1.04 -0.03 0.00 -0.00 0.00 0.00 29.99 28.92 2k4n n HIS 106 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k4n s HIS 107 N -3.30 2.77 0.20 1.57 3.76 -1.25 -4.88 115.29 114.16 2k4n s HIS 107 Ca 0.37 0.53 -0.13 0.00 -0.15 0.00 0.00 55.06 55.68 2k4n s HIS 107 Cb 0.13 -3.90 0.23 0.00 1.11 0.00 0.00 32.58 30.16 2k4n s HIS 107 CO -0.01 -3.44 1.65 1.25 -0.85 0.00 0.00 174.74 173.34 2k4n h HIS 108 N 7.57 -0.19 -0.51 1.40 2.76 -1.96 -3.24 115.15 120.98 2k4n h HIS 108 Ca -0.42 0.05 -0.63 0.00 -2.20 0.00 0.00 60.37 57.16 2k4n h HIS 108 Cb 1.20 0.17 -0.05 0.00 1.55 0.00 0.00 27.41 30.28 2k4n h HIS 108 CO 0.72 -0.21 2.28 0.72 -1.30 0.00 0.00 177.93 180.14 2k4n n HIS 109 N -5.34 3.86 0.00 5.26 8.25 -1.26 -3.13 115.22 122.85 2k4n n HIS 109 Ca 0.07 -2.58 0.00 0.00 -0.26 0.00 0.00 57.72 54.95 2k4n n HIS 109 Cb 0.32 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 28.89 2k4n n HIS 109 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k4n n HIS 110 N 8.65 -1.46 -1.34 4.41 -0.00 -1.22 -5.23 115.22 119.02 2k4n n HIS 110 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.21 2k4n n HIS 110 Cb 0.44 0.35 0.00 0.00 -0.00 0.00 0.00 29.99 30.78 2k4n n HIS 110 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92