#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kk4 n GLY 2 N 0.00 -0.34 3.92 3.03 0.00 -1.26 -4.99 105.19 105.55 1kk4 n GLY 2 Ca 0.00 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 1kk4 n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kk4 s PRO 3 N -2.06 2.79 -0.54 1.61 0.04 -1.26 -5.01 135.00 130.57 1kk4 s PRO 3 Ca 0.00 -0.09 -0.28 0.00 0.04 0.00 0.00 61.00 60.67 1kk4 s PRO 3 Cb 0.00 -2.27 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1kk4 s PRO 3 CO 0.00 -0.78 1.13 1.21 0.04 0.00 0.00 177.00 178.60 1kk4 s ASN 4 N -4.34 6.48 0.00 6.66 3.84 -1.26 -4.89 114.94 121.43 1kk4 s ASN 4 Ca 0.55 0.14 0.00 0.00 0.21 0.00 0.00 52.86 53.76 1kk4 s ASN 4 Cb -0.11 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.06 1kk4 s ASN 4 CO 0.45 -1.37 0.55 -0.81 -2.79 0.00 0.00 177.10 173.12 1kk4 n PRO 5 N 8.10 0.00 0.00 0.43 -0.04 -1.26 0.05 135.00 142.28 1kk4 n PRO 5 Ca 0.08 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 1kk4 n PRO 5 Cb 0.49 -1.68 0.30 0.00 -0.04 0.00 0.00 33.50 32.57 1kk4 n PRO 5 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1kk4 n MET 6 N -1.05 1.58 -3.05 0.54 2.81 -1.26 -4.58 117.12 112.12 1kk4 n MET 6 Ca 0.00 -1.12 -0.40 0.00 -1.81 0.00 0.00 57.70 54.37 1kk4 n MET 6 Cb 0.18 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.16 1kk4 n MET 6 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1kk4 s LYS 7 N -2.19 4.25 0.09 0.03 1.02 0.11 -4.80 119.74 118.25 1kk4 s LYS 7 Ca 0.29 0.75 -0.29 0.00 0.02 0.00 0.00 55.97 56.75 1kk4 s LYS 7 Cb 0.20 -3.57 -0.14 0.00 -0.52 0.00 0.00 37.83 33.80 1kk4 s LYS 7 CO 0.41 -0.24 1.65 0.52 -0.92 0.00 0.00 175.35 176.76 1kk4 h MET 8 N 7.39 -0.55 -3.63 1.68 2.86 -1.88 -3.35 114.93 117.44 1kk4 h MET 8 Ca -0.31 0.04 -0.73 0.00 -2.06 0.00 0.00 59.70 56.64 1kk4 h MET 8 Cb 1.14 0.13 -0.32 0.00 0.06 0.00 0.00 31.60 32.61 1kk4 h MET 8 CO 0.79 -0.37 -0.18 0.71 1.06 0.00 0.00 176.91 178.92 1kk4 s TYR 9 N -6.08 3.56 0.09 -0.22 1.51 -1.26 0.08 117.35 115.02 1kk4 s TYR 9 Ca -0.16 -2.51 -0.32 0.00 -1.01 0.00 0.00 57.07 53.08 1kk4 s TYR 9 Cb 0.06 -3.41 -0.14 0.00 -0.11 0.00 0.00 41.96 38.35 1kk4 s TYR 9 CO 0.64 -0.88 1.50 -1.35 -1.11 0.00 0.00 175.55 174.35 1kk4 h PRO 10 N 7.19 -0.74 -6.55 -1.71 0.11 -1.76 -3.42 132.00 125.13 1kk4 h PRO 10 Ca 0.04 0.05 -0.53 0.00 0.11 0.00 0.00 66.00 65.67 1kk4 h PRO 10 Cb 0.97 0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1kk4 h PRO 10 CO 0.74 -0.49 0.48 0.42 -0.21 0.00 0.00 178.00 178.94 1kk4 s ILE 11 N -5.52 4.12 0.47 4.15 1.01 -1.26 -5.01 121.20 119.15 1kk4 s ILE 11 Ca -0.15 1.65 -0.16 0.00 0.00 0.00 0.00 60.65 61.99 1kk4 s ILE 11 Cb 0.05 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 1kk4 s ILE 11 CO 0.55 0.20 0.92 -1.61 0.00 0.00 0.00 174.94 175.00 1kk4 s GLU 12 N 0.39 3.95 -1.22 2.79 2.02 -1.26 -3.66 118.70 121.71 1kk4 s GLU 12 Ca 0.53 0.85 -0.01 0.00 0.02 0.00 0.00 54.97 56.36 1kk4 s GLU 12 Cb -0.28 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1kk4 s GLU 12 CO 0.31 -0.16 1.00 0.41 0.02 0.00 0.00 175.26 176.84 1kk4 n GLY 13 N -1.33 -0.37 3.08 -1.39 0.00 -1.26 -5.01 105.19 98.91 1kk4 n GLY 13 Ca 0.06 0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1kk4 n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kk4 s ASN 14 N -4.28 -1.02 -0.10 1.61 3.84 -1.24 -5.05 114.94 108.69 1kk4 s ASN 14 Ca 0.05 -0.20 0.11 0.00 0.21 0.00 0.00 52.86 53.03 1kk4 s ASN 14 Cb -0.02 1.46 0.51 0.00 -0.55 0.00 0.00 41.25 42.66 1kk4 s ASN 14 CO 0.73 -0.15 1.35 0.29 -2.79 0.00 0.00 177.10 176.53 1kk4 n LYS 15 N 4.67 3.11 -0.13 0.43 5.02 -1.26 -4.19 118.16 125.80 1kk4 n LYS 15 Ca 0.08 -2.01 -0.27 0.00 -2.02 0.00 0.00 58.31 54.10 1kk4 n LYS 15 Cb 0.58 -1.80 -0.11 0.00 -0.02 0.00 0.00 35.03 33.68 1kk4 n LYS 15 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kk4 n SER 16 N 0.61 1.96 -4.68 4.39 2.88 -1.26 -4.79 113.62 112.73 1kk4 n SER 16 Ca 0.18 0.26 -0.40 0.00 -1.33 0.00 0.00 58.87 57.58 1kk4 n SER 16 Cb 0.72 -0.77 -0.06 0.00 -0.75 0.00 0.00 64.21 63.36 1kk4 n SER 16 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1kk4 s VAL 17 N -2.49 5.04 0.00 2.46 1.01 -1.26 -0.44 120.40 124.72 1kk4 s VAL 17 Ca -0.36 1.22 0.01 0.00 0.00 0.00 0.00 61.98 62.85 1kk4 s VAL 17 Cb 0.12 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1kk4 s VAL 17 CO 0.53 0.16 -0.05 0.00 0.00 0.00 0.00 175.10 175.75 1kk4 s GLN 18 N 1.53 0.38 -0.20 2.72 -2.07 -0.85 -4.35 119.66 116.82 1kk4 s GLN 18 Ca 0.30 -0.26 -0.26 0.00 -1.82 0.00 0.00 55.36 53.32 1kk4 s GLN 18 Cb -0.16 -0.32 -0.01 0.00 -1.09 0.00 0.00 33.01 31.43 1kk4 s GLN 18 CO 0.12 0.08 0.89 -0.06 -1.32 0.00 0.00 175.29 175.00 1kk4 s PHE 19 N -0.33 3.37 0.15 9.60 2.99 0.11 -1.17 117.98 132.71 1kk4 s PHE 19 Ca -0.01 1.28 -0.10 0.00 0.00 0.00 0.00 56.93 58.11 1kk4 s PHE 19 Cb -0.03 -3.09 -0.00 0.00 0.00 0.00 0.00 43.02 39.89 1kk4 s PHE 19 CO -0.00 -0.35 1.51 0.82 -0.00 0.00 0.00 175.22 177.20 1kk4 h ILE 20 N 5.33 1.27 -0.62 0.64 2.04 -1.80 -3.33 117.51 121.04 1kk4 h ILE 20 Ca -0.25 -1.51 0.08 0.00 1.00 0.00 0.00 64.86 64.19 1kk4 h ILE 20 Cb 1.10 1.31 -0.11 0.00 -0.74 0.00 0.00 36.82 38.39 1kk4 h ILE 20 CO 0.88 0.51 -0.47 0.50 0.00 0.00 0.00 178.15 179.57 1kk4 h LYS 21 N 0.77 -0.21 -0.46 2.37 3.64 -1.78 -0.23 116.57 120.67 1kk4 h LYS 21 Ca 0.07 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1kk4 h LYS 21 Cb 0.92 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.70 1kk4 h LYS 21 CO 0.09 -0.14 -0.46 -1.35 -2.27 0.00 0.00 179.45 175.32 1kk4 h PRO 22 N -0.22 -0.30 0.97 1.90 0.11 -1.81 -1.54 132.00 131.11 1kk4 h PRO 22 Ca 0.17 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 1kk4 h PRO 22 Cb 0.55 0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.74 1kk4 h PRO 22 CO -0.72 -0.20 -0.46 0.82 -0.21 0.00 0.00 178.00 177.23 1kk4 h ILE 23 N -0.31 0.00 0.00 4.15 2.04 -1.46 -3.27 117.51 118.66 1kk4 h ILE 23 Ca 0.14 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1kk4 h ILE 23 Cb 0.58 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1kk4 h ILE 23 CO -0.61 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.72 1kk4 n LEU 24 N -5.50 0.00 0.00 1.44 4.77 -0.18 -2.96 117.00 114.57 1kk4 n LEU 24 Ca -0.16 0.36 0.15 0.00 -0.03 0.00 0.00 56.01 56.33 1kk4 n LEU 24 Cb 0.51 -0.36 0.88 0.00 -2.33 0.00 0.00 43.42 42.13 1kk4 n LEU 24 CO 0.39 -0.13 1.07 1.21 -1.33 0.00 0.00 177.39 178.60 1kk4 n GLU 25 N -1.36 0.81 0.00 3.23 2.13 -0.58 -1.97 120.64 122.90 1kk4 n GLU 25 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1kk4 n GLU 25 Cb 0.17 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1kk4 n GLU 25 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1kk4 n LYS 26 N -1.09 0.99 -4.50 5.31 2.85 -1.15 -4.83 118.16 115.74 1kk4 n LYS 26 Ca 0.21 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.19 1kk4 n LYS 26 Cb 0.15 -1.13 -0.13 0.00 -0.65 0.00 0.00 35.03 33.27 1kk4 n LYS 26 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1kk4 s LEU 27 N -0.75 2.27 0.23 -5.58 1.43 -0.83 -5.12 118.68 110.33 1kk4 s LEU 27 Ca 0.00 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.15 1kk4 s LEU 27 Cb 0.00 -1.13 -0.09 0.00 0.03 0.00 0.00 46.19 45.00 1kk4 s LEU 27 CO 0.00 0.17 0.88 -0.70 0.23 0.00 0.00 176.35 176.93 1kk4 s GLU 28 N -1.76 4.71 -1.44 1.70 2.12 -1.26 -3.92 118.70 118.84 1kk4 s GLU 28 Ca 0.11 1.34 -0.07 0.00 0.36 0.00 0.00 54.97 56.71 1kk4 s GLU 28 Cb -0.10 -3.18 0.01 0.00 0.26 0.00 0.00 34.13 31.12 1kk4 s GLU 28 CO 0.04 0.49 0.90 0.09 -0.54 0.00 0.00 175.26 176.24 1kk4 n ASN 29 N 1.33 -6.24 -3.83 -1.70 3.02 -1.26 -4.97 115.26 101.62 1kk4 n ASN 29 Ca -0.02 -0.41 -0.19 0.00 -0.03 0.00 0.00 54.58 53.93 1kk4 n ASN 29 Cb 0.48 -4.96 -0.16 0.00 -0.61 0.00 0.00 39.78 34.53 1kk4 n ASN 29 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kk4 s VAL 30 N -3.25 0.30 -0.15 2.41 1.01 -1.25 -1.08 120.40 118.39 1kk4 s VAL 30 Ca 0.44 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.47 1kk4 s VAL 30 Cb -0.20 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1kk4 s VAL 30 CO 0.55 0.19 -0.15 -1.61 0.00 0.00 0.00 175.10 174.08 1kk4 s GLU 31 N 1.15 2.36 0.01 2.72 2.02 0.15 -4.88 118.70 122.22 1kk4 s GLU 31 Ca -0.08 -0.59 0.07 0.00 0.02 0.00 0.00 54.97 54.40 1kk4 s GLU 31 Cb -0.14 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1kk4 s GLU 31 CO -0.02 -0.21 -0.22 0.08 0.02 0.00 0.00 175.26 174.91 1kk4 s VAL 32 N 1.41 2.47 1.17 2.63 1.01 -1.26 -0.22 120.40 127.61 1kk4 s VAL 32 Ca 0.04 -1.15 -0.19 0.00 0.00 0.00 0.00 61.98 60.68 1kk4 s VAL 32 Cb -0.13 -1.97 0.27 0.00 0.00 0.00 0.00 36.38 34.56 1kk4 s VAL 32 CO -0.10 0.45 1.15 -0.83 0.00 0.00 0.00 175.10 175.77 1kk4 s GLY 33 N -1.07 1.62 -0.11 4.51 0.00 0.13 -4.83 107.32 107.59 1kk4 s GLY 33 Ca 0.12 -1.03 -0.27 0.00 0.00 0.00 0.00 44.72 43.54 1kk4 s GLY 33 CO 0.02 -0.15 0.84 0.83 0.00 0.00 0.00 173.10 174.64 1kk4 h GLU 34 N -2.43 0.07 -0.45 2.90 4.39 -1.89 -3.37 114.58 113.79 1kk4 h GLU 34 Ca -0.44 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1kk4 h GLU 34 Cb 1.28 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1kk4 h GLU 34 CO 0.34 1.01 0.00 0.66 -1.16 0.00 0.00 179.01 179.86 1kk4 n TYR 35 N -4.53 0.60 -1.90 4.33 4.02 -1.26 -4.73 117.16 113.69 1kk4 n TYR 35 Ca -0.11 -0.40 -0.42 0.00 -0.01 0.00 0.00 57.90 56.97 1kk4 n TYR 35 Cb 0.53 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.82 1kk4 n TYR 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1kk4 s SER 36 N -1.10 6.54 0.26 7.72 0.01 -1.26 -4.24 113.70 121.62 1kk4 s SER 36 Ca 0.34 2.72 0.06 0.00 1.31 0.00 0.00 55.95 60.38 1kk4 s SER 36 Cb 0.19 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 1kk4 s SER 36 CO 0.25 -0.83 -0.05 -0.72 0.41 0.00 0.00 173.24 172.31 1kk4 s TYR 37 N 0.66 1.83 -0.08 2.43 -0.85 -0.38 -2.48 117.35 118.48 1kk4 s TYR 37 Ca 0.67 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 56.46 1kk4 s TYR 37 Cb -0.45 -1.05 0.02 0.00 0.38 0.00 0.00 41.96 40.87 1kk4 s TYR 37 CO 0.37 0.19 -0.06 -0.47 -1.52 0.00 0.00 175.55 174.07 1kk4 s TYR 38 N -3.13 1.12 -0.69 -3.49 5.04 -0.32 -1.62 117.35 114.28 1kk4 s TYR 38 Ca 0.29 -0.45 -0.20 0.00 -2.44 0.00 0.00 57.07 54.26 1kk4 s TYR 38 Cb 0.04 -0.97 0.10 0.00 0.35 0.00 0.00 41.96 41.47 1kk4 s TYR 38 CO 0.11 -0.36 0.90 0.34 -1.34 0.00 0.00 175.55 175.20 1kk4 s ASP 39 N 1.40 6.27 0.24 4.32 2.15 -0.71 -2.00 116.67 128.34 1kk4 s ASP 39 Ca -0.02 -1.36 -0.30 0.00 0.43 0.00 0.00 52.55 51.30 1kk4 s ASP 39 Cb -0.13 -2.37 -0.15 0.00 -0.30 0.00 0.00 42.92 39.97 1kk4 s ASP 39 CO -0.04 -1.25 1.08 -0.24 -0.17 0.00 0.00 175.17 174.56 1kk4 n SER 40 N 6.96 1.34 0.05 -0.34 2.88 0.41 -2.81 113.62 122.11 1kk4 n SER 40 Ca -0.01 1.16 0.12 0.00 -1.33 0.00 0.00 58.87 58.81 1kk4 n SER 40 Cb 0.45 -1.26 0.09 0.00 -0.75 0.00 0.00 64.21 62.74 1kk4 n SER 40 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1kk4 n LYS 41 N 1.21 0.32 -0.22 -1.46 4.81 -1.26 -4.56 118.16 117.00 1kk4 n LYS 41 Ca 0.12 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1kk4 n LYS 41 Cb 0.29 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.68 1kk4 n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1kk4 n ASN 42 N -2.10 0.00 0.00 3.14 3.02 -1.26 -5.00 115.26 113.06 1kk4 n ASN 42 Ca 0.02 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1kk4 n ASN 42 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1kk4 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kk4 n GLY 43 N 0.00 1.99 3.56 7.41 0.00 -1.26 -5.07 105.19 111.82 1kk4 n GLY 43 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1kk4 n GLY 43 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1kk4 n GLU 44 N 0.00 1.14 -3.08 1.61 0.00 -1.26 -4.91 120.64 114.15 1kk4 n GLU 44 Ca 0.00 0.41 -0.34 0.00 0.00 0.00 0.00 57.16 57.22 1kk4 n GLU 44 Cb 0.00 -1.81 -0.06 0.00 0.00 0.00 0.00 31.44 29.57 1kk4 n GLU 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1kk4 s THR 45 N -1.20 4.58 0.44 3.84 -4.23 -1.26 -4.73 115.64 113.08 1kk4 s THR 45 Ca 0.61 1.18 0.19 0.00 -1.18 0.00 0.00 61.69 62.49 1kk4 s THR 45 Cb -0.65 -3.73 0.39 0.00 1.34 0.00 0.00 72.50 69.85 1kk4 s THR 45 CO 0.58 -0.02 1.88 0.15 -0.54 0.00 0.00 174.62 176.68 1kk4 h PHE 46 N 2.75 0.45 -0.59 3.99 3.57 -1.95 -1.41 116.94 123.75 1kk4 h PHE 46 Ca -0.48 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.21 1kk4 h PHE 46 Cb 1.18 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1kk4 h PHE 46 CO 0.63 0.13 0.55 0.38 -2.23 0.00 0.00 178.31 177.77 1kk4 h ASP 47 N 0.35 0.00 0.89 0.41 2.03 -1.94 0.91 116.42 119.07 1kk4 h ASP 47 Ca 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 1kk4 h ASP 47 Cb 1.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1kk4 h ASP 47 CO -0.14 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.36 1kk4 n LYS 48 N -3.85 0.06 -0.11 4.15 5.02 -0.53 -2.99 118.16 119.91 1kk4 n LYS 48 Ca 0.12 0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.52 1kk4 n LYS 48 Cb 0.77 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.61 1kk4 n LYS 48 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1kk4 n GLN 49 N -1.47 1.81 -3.80 1.97 1.13 0.31 -4.75 117.38 112.59 1kk4 n GLN 49 Ca 0.08 -1.22 -0.37 0.00 -1.94 0.00 0.00 57.00 53.55 1kk4 n GLN 49 Cb 0.31 -1.38 -0.13 0.00 0.11 0.00 0.00 30.24 29.15 1kk4 n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1kk4 s ILE 50 N -1.71 3.68 0.07 5.09 1.01 -1.16 -2.00 121.20 126.18 1kk4 s ILE 50 Ca 0.31 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1kk4 s ILE 50 Cb 0.17 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1kk4 s ILE 50 CO 0.25 0.05 0.08 -0.76 0.00 0.00 0.00 174.94 174.55 1kk4 s LEU 51 N 1.44 3.80 -1.31 2.97 1.43 -0.83 -4.69 118.68 121.49 1kk4 s LEU 51 Ca 0.01 0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 1kk4 s LEU 51 Cb -0.18 -2.45 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 1kk4 s LEU 51 CO 0.01 0.19 0.56 -1.22 0.23 0.00 0.00 176.35 176.12 1kk4 n TYR 52 N 0.56 -1.73 -3.69 0.29 4.02 -1.26 -2.25 117.16 113.09 1kk4 n TYR 52 Ca -0.09 0.63 -0.38 0.00 -0.01 0.00 0.00 57.90 58.05 1kk4 n TYR 52 Cb 0.52 -3.65 -0.10 0.00 -0.02 0.00 0.00 39.34 36.08 1kk4 n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1kk4 s HIS 53 N -3.77 3.51 -0.24 -0.72 2.46 -1.26 -0.49 115.29 114.77 1kk4 s HIS 53 Ca 0.17 -2.16 -0.05 0.00 0.47 0.00 0.00 55.06 53.49 1kk4 s HIS 53 Cb -0.06 -3.29 -0.00 0.00 -0.13 0.00 0.00 32.58 29.10 1kk4 s HIS 53 CO 0.88 -0.97 -0.00 0.71 -2.47 0.00 0.00 174.74 172.89 1kk4 s TYR 54 N 1.24 3.03 0.47 3.88 4.12 -1.26 -5.00 117.35 123.82 1kk4 s TYR 54 Ca 0.07 -0.93 0.33 0.00 0.02 0.00 0.00 57.07 56.56 1kk4 s TYR 54 Cb -0.24 -2.15 1.45 0.00 -1.52 0.00 0.00 41.96 39.50 1kk4 s TYR 54 CO -0.03 -0.54 1.67 -1.00 0.02 0.00 0.00 175.55 175.67 1kk4 h PRO 55 N 8.15 0.10 -0.66 -1.71 0.13 -1.93 -1.22 132.00 134.86 1kk4 h PRO 55 Ca -0.38 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1kk4 h PRO 55 Cb 1.15 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1kk4 h PRO 55 CO 0.60 0.07 0.44 0.97 -0.23 0.00 0.00 178.00 179.84 1kk4 h ILE 56 N 0.11 1.14 0.00 -3.56 2.10 -1.98 -1.26 117.51 114.06 1kk4 h ILE 56 Ca 0.76 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 66.41 1kk4 h ILE 56 Cb 2.55 0.21 0.00 0.00 -1.09 0.00 0.00 36.82 38.50 1kk4 h ILE 56 CO -0.27 0.16 0.00 0.18 -1.08 0.00 0.00 178.15 177.14 1kk4 n LEU 57 N -4.44 0.27 -2.27 2.19 4.77 -0.46 -4.90 117.00 112.16 1kk4 n LEU 57 Ca 0.07 0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 56.45 1kk4 n LEU 57 Cb 0.07 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1kk4 n LEU 57 CO 0.36 -0.21 -0.18 -3.20 -1.33 0.00 0.00 177.39 172.82 1kk4 n ASN 58 N -1.78 -4.36 -4.81 -1.43 5.15 -0.48 -4.97 115.26 102.58 1kk4 n ASN 58 Ca 0.05 0.17 -0.37 0.00 -0.60 0.00 0.00 54.58 53.83 1kk4 n ASN 58 Cb 0.29 -3.73 -0.06 0.00 -0.53 0.00 0.00 39.78 35.75 1kk4 n ASN 58 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1kk4 s ASP 59 N -2.07 7.12 0.36 1.20 -4.77 -1.26 -5.03 116.67 112.22 1kk4 s ASP 59 Ca 0.00 1.41 0.09 0.00 -3.30 0.00 0.00 52.55 50.75 1kk4 s ASP 59 Cb 0.00 -2.42 -0.06 0.00 -1.09 0.00 0.00 42.92 39.36 1kk4 s ASP 59 CO 0.00 0.13 0.02 -0.54 0.70 0.00 0.00 175.17 175.48 1kk4 s LYS 60 N -1.60 2.06 -0.06 2.11 1.02 -1.26 -4.90 119.74 117.11 1kk4 s LYS 60 Ca 0.38 -1.82 0.03 0.00 0.02 0.00 0.00 55.97 54.58 1kk4 s LYS 60 Cb -0.19 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1kk4 s LYS 60 CO 0.22 0.09 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.41 1kk4 s LEU 61 N -3.73 1.79 -0.02 3.17 2.96 -0.24 -2.66 118.68 119.95 1kk4 s LEU 61 Ca 0.35 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 1kk4 s LEU 61 Cb 0.02 -0.92 -0.00 0.00 0.50 0.00 0.00 46.19 45.79 1kk4 s LEU 61 CO 0.19 0.09 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.68 1kk4 s LYS 62 N 0.41 0.86 -0.08 1.98 1.02 -0.98 0.29 119.74 123.25 1kk4 s LYS 62 Ca -0.11 -0.31 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 1kk4 s LYS 62 Cb -0.14 -0.82 0.03 0.00 -0.52 0.00 0.00 37.83 36.37 1kk4 s LYS 62 CO 0.04 0.14 -0.03 0.42 -0.92 0.00 0.00 175.35 175.00 1kk4 s ILE 63 N 0.05 0.60 0.00 2.17 1.01 0.69 -1.24 121.20 124.48 1kk4 s ILE 63 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1kk4 s ILE 63 Cb -0.07 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.72 1kk4 s ILE 63 CO 0.00 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1kk4 n GLY 64 N 4.85 -2.84 3.19 6.18 0.00 0.11 0.21 105.19 116.89 1kk4 n GLY 64 Ca -0.12 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 1kk4 n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kk4 s LYS 65 N 0.00 0.88 -0.53 1.61 -2.85 -1.26 -1.69 119.74 115.90 1kk4 s LYS 65 Ca 0.00 -1.33 -0.02 0.00 -1.00 0.00 0.00 55.97 53.63 1kk4 s LYS 65 Cb 0.00 -0.35 0.00 0.00 -2.06 0.00 0.00 37.83 35.43 1kk4 s LYS 65 CO 0.00 0.02 0.45 1.19 0.10 0.00 0.00 175.35 177.11 1kk4 n PHE 66 N 0.03 -1.04 -4.35 1.78 3.01 -1.26 -1.49 117.46 114.13 1kk4 n PHE 66 Ca -0.12 0.41 -0.34 0.00 1.01 0.00 0.00 57.45 58.40 1kk4 n PHE 66 Cb 0.60 -3.04 -0.10 0.00 -0.01 0.00 0.00 39.48 36.93 1kk4 n PHE 66 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1kk4 s SER 68 N -0.35 5.83 -0.32 0.00 0.01 -0.31 -1.24 113.70 117.31 1kk4 s SER 68 Ca 0.07 -0.74 -0.07 0.00 1.31 0.00 0.00 55.95 56.51 1kk4 s SER 68 Cb -0.12 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.06 1kk4 s SER 68 CO 0.02 -0.32 0.10 -0.63 0.41 0.00 0.00 173.24 172.82 1kk4 s ILE 69 N 1.63 3.93 1.13 1.44 1.01 -0.64 -0.95 121.20 128.76 1kk4 s ILE 69 Ca 0.04 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 1kk4 s ILE 69 Cb -0.18 -3.11 0.27 0.00 0.01 0.00 0.00 42.46 39.44 1kk4 s ILE 69 CO 0.08 -0.04 1.04 -0.83 0.00 0.00 0.00 174.94 175.20 1kk4 s GLY 70 N 1.47 1.56 0.58 6.18 0.00 0.05 -1.74 107.32 115.42 1kk4 s GLY 70 Ca 0.01 -0.08 -0.17 0.00 0.00 0.00 0.00 44.72 44.48 1kk4 s GLY 70 CO 0.03 0.60 1.07 2.56 0.00 0.00 0.00 173.10 177.37 1kk4 s PRO 71 N -4.52 3.29 0.00 2.90 0.04 -1.12 -3.39 135.00 132.20 1kk4 s PRO 71 Ca 0.68 1.31 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1kk4 s PRO 71 Cb -0.24 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1kk4 s PRO 71 CO 0.63 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1kk4 n GLY 72 N -0.65 1.09 3.70 0.56 0.00 -1.26 -0.25 105.19 108.38 1kk4 n GLY 72 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 1kk4 n GLY 72 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kk4 n VAL 73 N -2.00 0.57 -5.10 1.61 0.31 -1.22 -4.23 118.33 108.27 1kk4 n VAL 73 Ca 0.00 -0.14 -0.31 0.00 -0.01 0.00 0.00 64.34 63.88 1kk4 n VAL 73 Cb 0.00 -1.71 -0.15 0.00 -0.91 0.00 0.00 33.84 31.07 1kk4 n VAL 73 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1kk4 s THR 74 N 0.40 2.14 -0.12 2.52 2.01 0.12 -4.86 115.64 117.85 1kk4 s THR 74 Ca 0.71 -1.23 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1kk4 s THR 74 Cb -0.59 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 1kk4 s THR 74 CO 0.43 0.48 -0.19 -0.63 -0.69 0.00 0.00 174.62 174.02 1kk4 s ILE 75 N -0.71 2.52 -0.23 1.82 1.01 -0.85 0.35 121.20 125.11 1kk4 s ILE 75 Ca 0.11 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1kk4 s ILE 75 Cb -0.10 -2.01 0.04 0.00 0.01 0.00 0.00 42.46 40.40 1kk4 s ILE 75 CO 0.01 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.72 1kk4 s ILE 76 N 0.37 2.21 0.71 2.92 1.01 0.14 -1.97 121.20 126.59 1kk4 s ILE 76 Ca -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 60.65 59.11 1kk4 s ILE 76 Cb -0.17 -2.17 0.09 0.00 0.01 0.00 0.00 42.46 40.23 1kk4 s ILE 76 CO 0.07 0.18 1.00 -0.04 0.00 0.00 0.00 174.94 176.14 1kk4 s MET 77 N 1.18 1.90 0.00 2.79 -1.94 -0.95 -0.96 119.30 121.32 1kk4 s MET 77 Ca -0.04 -0.67 0.08 0.00 -1.71 0.00 0.00 55.69 53.36 1kk4 s MET 77 Cb -0.17 -2.25 0.50 0.00 2.01 0.00 0.00 34.83 34.92 1kk4 s MET 77 CO -0.08 -1.35 0.95 0.09 -0.01 0.00 0.00 175.02 174.62 1kk4 n ASN 78 N -2.88 0.00 0.00 3.03 3.02 -1.25 -3.81 115.26 113.37 1kk4 n ASN 78 Ca 0.11 -0.29 0.06 0.00 -0.03 0.00 0.00 54.58 54.44 1kk4 n ASN 78 Cb 0.60 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 40.12 1kk4 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kk4 n GLY 79 N -0.44 -0.51 0.00 7.41 0.00 0.36 -3.02 105.19 108.98 1kk4 n GLY 79 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1kk4 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kk4 n ALA 80 N -0.86 2.16 -2.59 4.61 0.00 -1.25 -4.89 120.51 117.70 1kk4 n ALA 80 Ca 0.09 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 1kk4 n ALA 80 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 1kk4 n ALA 80 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1kk4 s ASN 81 N -0.64 7.20 0.37 0.00 0.01 -1.17 -5.03 114.94 115.67 1kk4 s ASN 81 Ca 0.00 1.73 -0.05 0.00 -0.71 0.00 0.00 52.86 53.83 1kk4 s ASN 81 Cb 0.00 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.05 1kk4 s ASN 81 CO 0.00 -0.44 0.64 -1.00 -1.51 0.00 0.00 177.10 174.79 1kk4 s HIS 82 N 1.62 3.50 0.46 2.20 3.76 -1.26 -4.84 115.29 120.73 1kk4 s HIS 82 Ca 0.53 0.68 -0.24 0.00 -0.15 0.00 0.00 55.06 55.88 1kk4 s HIS 82 Cb -0.23 -2.15 -0.07 0.00 1.11 0.00 0.00 32.58 31.24 1kk4 s HIS 82 CO 0.24 0.01 1.27 0.50 -0.85 0.00 0.00 174.74 175.91 1kk4 s ARG 83 N -4.05 3.67 0.00 1.40 3.52 -1.26 -4.65 118.95 117.59 1kk4 s ARG 83 Ca 0.45 2.04 0.00 0.00 -0.13 0.00 0.00 55.73 58.09 1kk4 s ARG 83 Cb -0.10 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.79 1kk4 s ARG 83 CO 0.35 -0.70 0.15 -1.33 -0.81 0.00 0.00 175.30 172.96 1kk4 n MET 84 N -0.40 0.96 0.29 5.12 2.81 -1.26 -4.18 117.12 120.46 1kk4 n MET 84 Ca 0.07 -0.15 0.16 0.00 -1.81 0.00 0.00 57.70 55.97 1kk4 n MET 84 Cb 0.46 -0.55 0.90 0.00 -0.71 0.00 0.00 33.22 33.32 1kk4 n MET 84 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1kk4 h ASP 85 N 0.00 0.00 0.00 7.83 2.03 -1.91 -3.44 116.42 120.93 1kk4 h ASP 85 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1kk4 h ASP 85 Cb 0.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1kk4 h ASP 85 CO 0.00 0.04 0.00 0.61 -1.03 0.00 0.00 179.24 178.86 1kk4 n GLY 86 N -1.01 4.52 3.78 7.15 0.00 -1.26 -5.12 105.19 113.24 1kk4 n GLY 86 Ca -0.02 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1kk4 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kk4 s SER 87 N 1.02 6.97 0.00 1.61 0.15 -1.26 -4.94 113.70 117.25 1kk4 s SER 87 Ca 0.00 2.02 0.23 0.00 0.70 0.00 0.00 55.95 58.90 1kk4 s SER 87 Cb 0.00 -2.59 0.79 0.00 -1.71 0.00 0.00 66.02 62.51 1kk4 s SER 87 CO 0.00 -0.34 1.58 0.35 1.20 0.00 0.00 173.24 176.03 1kk4 n THR 88 N 0.24 0.17 -2.48 6.45 -2.24 -1.26 -4.66 114.28 110.50 1kk4 n THR 88 Ca 0.03 -0.35 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 1kk4 n THR 88 Cb 0.49 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 1kk4 n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1kk4 s TYR 89 N -1.83 3.02 -1.16 4.78 5.04 -1.26 -4.73 117.35 121.20 1kk4 s TYR 89 Ca 0.34 1.15 -0.11 0.00 -2.44 0.00 0.00 57.07 56.01 1kk4 s TYR 89 Cb 0.19 -3.44 -0.07 0.00 0.35 0.00 0.00 41.96 38.99 1kk4 s TYR 89 CO 0.29 -1.36 2.33 -0.35 -1.34 0.00 0.00 175.55 175.11 1kk4 n PRO 90 N 6.23 2.53 -0.14 4.97 -0.04 -1.26 -4.76 135.00 142.54 1kk4 n PRO 90 Ca 0.13 -1.88 -0.14 0.00 -0.04 0.00 0.00 63.50 61.57 1kk4 n PRO 90 Cb 0.45 -2.74 -0.10 0.00 -0.04 0.00 0.00 33.50 31.08 1kk4 n PRO 90 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1kk4 h PHE 91 N 6.18 -1.69 -1.46 0.54 -1.00 -1.92 -1.23 116.94 116.36 1kk4 h PHE 91 Ca 0.60 0.08 0.46 0.00 2.81 0.00 0.00 57.97 61.92 1kk4 h PHE 91 Cb 0.34 0.79 -0.11 0.00 3.61 0.00 0.00 35.95 40.58 1kk4 h PHE 91 CO 1.75 -0.49 0.98 -2.95 -1.61 0.00 0.00 178.31 176.00 1kk4 h ASN 92 N -0.40 0.17 0.34 2.17 7.08 -1.86 0.26 115.58 123.35 1kk4 h ASN 92 Ca 0.07 0.09 -0.00 0.00 -3.08 0.00 0.00 56.30 53.38 1kk4 h ASN 92 Cb 0.59 0.09 -0.00 0.00 -2.08 0.00 0.00 38.32 36.92 1kk4 h ASN 92 CO -0.59 -0.13 -0.01 0.25 -2.08 0.00 0.00 177.43 174.87 1kk4 h LEU 93 N 0.06 0.00 -0.12 6.14 5.85 -1.53 -3.05 115.31 122.66 1kk4 h LEU 93 Ca 0.83 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.55 1kk4 h LEU 93 Cb 2.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.86 1kk4 h LEU 93 CO -0.29 0.01 -0.64 0.49 -0.34 0.00 0.00 178.44 177.67 1kk4 n PHE 94 N -3.18 0.00 -4.82 1.25 3.01 0.92 -5.07 117.46 109.57 1kk4 n PHE 94 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1kk4 n PHE 94 Cb 0.16 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1kk4 n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kk4 n GLY 95 N 1.48 0.74 3.64 1.37 0.00 -1.15 -4.90 105.19 106.36 1kk4 n GLY 95 Ca 0.06 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 1kk4 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kk4 n ASN 96 N -2.30 -5.93 0.00 1.61 5.03 -1.26 -1.65 115.26 110.77 1kk4 n ASN 96 Ca 0.00 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.87 1kk4 n ASN 96 Cb 0.00 -4.69 0.00 0.00 -1.02 0.00 0.00 39.78 34.07 1kk4 n ASN 96 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kk4 n GLY 97 N -1.88 3.25 0.13 7.41 0.00 -1.26 -4.90 105.19 107.94 1kk4 n GLY 97 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1kk4 n GLY 97 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1kk4 h TRP 98 N 0.00 0.00 -0.98 1.61 4.06 -1.64 -3.29 115.95 115.71 1kk4 h TRP 98 Ca 0.00 0.00 0.29 0.00 2.06 0.00 0.00 58.89 61.24 1kk4 h TRP 98 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.02 1kk4 h TRP 98 CO 0.00 0.00 0.51 0.93 -3.56 0.00 0.00 178.44 176.32 1kk4 h GLU 99 N 0.00 0.35 -1.35 0.49 5.08 -1.74 -0.42 114.58 117.00 1kk4 h GLU 99 Ca 0.00 -0.02 0.39 0.00 -1.00 0.00 0.00 59.36 58.73 1kk4 h GLU 99 Cb 0.73 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1kk4 h GLU 99 CO 0.00 0.23 0.95 0.87 -1.00 0.00 0.00 179.01 180.07 1kk4 h LYS 100 N 0.37 0.05 -0.02 2.33 1.57 -1.92 0.31 116.57 119.26 1kk4 h LYS 100 Ca 0.68 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 1kk4 h LYS 100 Cb 1.46 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1kk4 h LYS 100 CO -0.58 0.04 0.00 0.72 -0.57 0.00 0.00 179.45 179.05 1kk4 n HIS 101 N -4.23 0.02 -1.63 -1.35 8.25 -0.17 -4.88 115.22 111.24 1kk4 n HIS 101 Ca 0.31 -0.01 -0.59 0.00 -0.26 0.00 0.00 57.72 57.16 1kk4 n HIS 101 Cb 1.39 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 32.42 1kk4 n HIS 101 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1kk4 n MET 102 N -0.64 0.49 -2.17 -0.41 0.00 0.11 -4.76 117.12 109.74 1kk4 n MET 102 Ca 0.12 0.18 -0.38 0.00 0.00 0.00 0.00 57.70 57.62 1kk4 n MET 102 Cb 0.08 -1.75 -0.00 0.00 0.00 0.00 0.00 33.22 31.55 1kk4 n MET 102 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1kk4 s PRO 103 N 1.56 3.79 0.11 2.12 0.04 -1.26 -5.01 135.00 136.34 1kk4 s PRO 103 Ca 0.94 1.92 -0.21 0.00 0.04 0.00 0.00 61.00 63.69 1kk4 s PRO 103 Cb -1.22 -2.51 -0.07 0.00 0.04 0.00 0.00 34.50 30.74 1kk4 s PRO 103 CO 0.63 -0.57 0.64 0.15 0.04 0.00 0.00 177.00 177.88 1kk4 s LYS 104 N -2.55 4.31 0.11 4.56 1.02 -1.26 -4.94 119.74 120.99 1kk4 s LYS 104 Ca 0.62 0.86 -0.16 0.00 0.02 0.00 0.00 55.97 57.31 1kk4 s LYS 104 Cb -0.32 -3.23 0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1kk4 s LYS 104 CO 0.40 0.61 0.92 1.28 -0.92 0.00 0.00 175.35 177.64 1kk4 n LEU 105 N 1.63 -0.55 0.00 3.17 4.77 -1.26 0.28 117.00 125.04 1kk4 n LEU 105 Ca -0.09 1.06 0.02 0.00 -0.03 0.00 0.00 56.01 56.97 1kk4 n LEU 105 Cb 0.50 -0.17 0.13 0.00 -2.33 0.00 0.00 43.42 41.55 1kk4 n LEU 105 CO 0.43 -0.89 0.37 -0.90 -1.33 0.00 0.00 177.39 175.06 1kk4 n ASP 106 N -4.79 0.00 -0.03 -1.43 5.75 -1.26 -1.93 116.55 112.86 1kk4 n ASP 106 Ca 0.03 -0.15 0.05 0.00 -0.01 0.00 0.00 54.79 54.71 1kk4 n ASP 106 Cb 0.19 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.13 1kk4 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kk4 n GLN 107 N -0.99 0.70 -2.87 0.11 6.02 0.79 -4.93 117.38 116.21 1kk4 n GLN 107 Ca 0.03 -0.14 -0.40 0.00 -0.01 0.00 0.00 57.00 56.49 1kk4 n GLN 107 Cb 0.02 -1.45 -0.05 0.00 1.02 0.00 0.00 30.24 29.78 1kk4 n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1kk4 s LEU 108 N -4.53 4.48 -0.12 1.08 1.43 -0.81 -4.74 118.68 115.47 1kk4 s LEU 108 Ca -0.07 1.62 -0.29 0.00 -1.03 0.00 0.00 54.13 54.36 1kk4 s LEU 108 Cb 0.10 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 1kk4 s LEU 108 CO 0.77 -0.01 0.97 -2.16 0.23 0.00 0.00 176.35 176.15 1kk4 s PRO 109 N -0.12 4.39 -0.27 1.29 0.04 -1.26 -5.00 135.00 134.07 1kk4 s PRO 109 Ca 0.42 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1kk4 s PRO 109 Cb -0.22 -3.55 0.03 0.00 0.04 0.00 0.00 34.50 30.80 1kk4 s PRO 109 CO 0.26 -0.33 -0.02 0.42 0.04 0.00 0.00 177.00 177.37 1kk4 s ILE 110 N 2.08 3.04 -1.61 0.56 1.01 -1.26 -4.88 121.20 120.13 1kk4 s ILE 110 Ca 0.46 -1.11 0.20 0.00 0.00 0.00 0.00 60.65 60.21 1kk4 s ILE 110 Cb -0.18 -2.61 0.43 0.00 0.01 0.00 0.00 42.46 40.11 1kk4 s ILE 110 CO 0.16 0.08 1.64 0.29 0.00 0.00 0.00 174.94 177.11 1kk4 n LYS 111 N 4.68 0.40 0.00 2.79 5.02 -1.26 -4.99 118.16 124.80 1kk4 n LYS 111 Ca -0.15 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1kk4 n LYS 111 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1kk4 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kk4 n GLY 112 N 0.39 -1.26 3.84 0.72 0.00 -1.26 -4.60 105.19 103.02 1kk4 n GLY 112 Ca 0.12 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 1kk4 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kk4 s ASP 113 N -2.34 5.01 -0.21 1.61 1.01 -1.26 -3.01 116.67 117.49 1kk4 s ASP 113 Ca 0.00 1.23 -0.03 0.00 0.71 0.00 0.00 52.55 54.46 1kk4 s ASP 113 Cb 0.00 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 41.92 1kk4 s ASP 113 CO 0.00 -1.63 -0.05 -0.89 0.21 0.00 0.00 175.17 172.81 1kk4 s THR 114 N -3.25 3.39 -0.13 -1.27 2.01 -1.09 -3.44 115.64 111.86 1kk4 s THR 114 Ca 0.59 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 62.12 1kk4 s THR 114 Cb -0.13 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.87 1kk4 s THR 114 CO 0.53 0.44 -0.20 -0.63 -0.69 0.00 0.00 174.62 174.07 1kk4 s ILE 115 N 1.26 1.87 -0.18 1.82 1.01 -0.12 -2.32 121.20 124.53 1kk4 s ILE 115 Ca 0.03 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1kk4 s ILE 115 Cb -0.14 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.68 1kk4 s ILE 115 CO -0.02 0.51 -0.19 -0.63 0.00 0.00 0.00 174.94 174.61 1kk4 s ILE 116 N 0.83 2.10 0.00 2.92 1.01 -0.38 0.86 121.20 128.55 1kk4 s ILE 116 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.64 1kk4 s ILE 116 Cb -0.16 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1kk4 s ILE 116 CO -0.01 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1kk4 n GLY 117 N 4.62 -2.92 3.91 6.18 0.00 -0.33 0.04 105.19 116.69 1kk4 n GLY 117 Ca -0.21 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 1kk4 n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kk4 s ASN 118 N -1.72 6.44 -1.84 1.61 0.01 -1.26 -2.87 114.94 115.31 1kk4 s ASN 118 Ca 0.00 0.63 0.00 0.00 -0.71 0.00 0.00 52.86 52.78 1kk4 s ASN 118 Cb 0.00 -2.11 0.00 0.00 0.41 0.00 0.00 41.25 39.55 1kk4 s ASN 118 CO 0.00 -0.12 0.00 -0.67 -1.51 0.00 0.00 177.10 174.80 1kk4 n ASP 119 N -0.73 -5.91 -4.76 -1.22 2.03 -0.56 -0.71 116.55 104.69 1kk4 n ASP 119 Ca -0.02 0.03 -0.38 0.00 0.52 0.00 0.00 54.79 54.94 1kk4 n ASP 119 Cb 0.54 -4.95 -0.06 0.00 -0.72 0.00 0.00 41.12 35.93 1kk4 n ASP 119 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1kk4 s VAL 120 N -3.02 5.16 -0.23 5.18 1.01 -1.24 -3.39 120.40 123.85 1kk4 s VAL 120 Ca 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 1kk4 s VAL 120 Cb 0.00 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1kk4 s VAL 120 CO 0.00 0.42 -0.04 0.86 0.00 0.00 0.00 175.10 176.35 1kk4 s TRP 121 N 0.02 2.99 -0.19 5.22 -0.00 -0.70 -1.17 118.94 125.12 1kk4 s TRP 121 Ca 0.23 -1.06 -0.02 0.00 -0.00 0.00 0.00 56.10 55.25 1kk4 s TRP 121 Cb -0.15 -2.11 -0.01 0.00 -0.00 0.00 0.00 33.47 31.20 1kk4 s TRP 121 CO 0.10 -0.59 -0.08 0.42 -0.00 0.00 0.00 176.95 176.80 1kk4 s ILE 122 N 1.45 3.23 1.33 5.86 1.01 -0.13 -0.92 121.20 133.04 1kk4 s ILE 122 Ca 0.05 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 59.95 1kk4 s ILE 122 Cb -0.15 -2.43 0.34 0.00 0.01 0.00 0.00 42.46 40.23 1kk4 s ILE 122 CO -0.03 0.47 0.92 0.61 0.00 0.00 0.00 174.94 176.90 1kk4 n GLY 123 N 4.30 -3.00 3.82 6.18 0.00 0.99 -0.77 105.19 116.71 1kk4 n GLY 123 Ca -0.18 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 1kk4 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kk4 s LYS 124 N -4.66 3.29 -1.37 1.61 -2.85 -1.26 -3.86 119.74 110.63 1kk4 s LYS 124 Ca 0.68 1.06 -0.12 0.00 -1.00 0.00 0.00 55.97 56.59 1kk4 s LYS 124 Cb -0.19 -2.03 0.10 0.00 -2.06 0.00 0.00 37.83 33.64 1kk4 s LYS 124 CO 0.61 -0.82 0.57 -0.25 0.10 0.00 0.00 175.35 175.56 1kk4 n ASP 125 N -2.39 -3.56 -4.85 0.03 8.00 0.66 -0.51 116.55 113.93 1kk4 n ASP 125 Ca 0.08 -0.54 -0.34 0.00 0.71 0.00 0.00 54.79 54.69 1kk4 n ASP 125 Cb 0.53 -2.94 -0.06 0.00 -0.02 0.00 0.00 41.12 38.64 1kk4 n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1kk4 s VAL 126 N -3.00 4.85 -0.14 2.53 1.01 -1.25 -3.82 120.40 120.56 1kk4 s VAL 126 Ca 0.49 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1kk4 s VAL 126 Cb -0.26 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1kk4 s VAL 126 CO 0.60 0.14 -0.15 -0.69 0.00 0.00 0.00 175.10 175.01 1kk4 s VAL 127 N -1.58 2.76 -0.23 2.92 1.01 -0.32 0.12 120.40 125.09 1kk4 s VAL 127 Ca 0.41 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1kk4 s VAL 127 Cb -0.14 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1kk4 s VAL 127 CO 0.20 0.52 -0.04 -0.63 0.00 0.00 0.00 175.10 175.15 1kk4 s ILE 128 N 0.65 3.36 0.79 2.22 1.01 0.15 -0.98 121.20 128.41 1kk4 s ILE 128 Ca -0.08 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 1kk4 s ILE 128 Cb -0.16 -2.55 0.06 0.00 0.01 0.00 0.00 42.46 39.83 1kk4 s ILE 128 CO 0.02 0.39 1.09 -0.04 0.00 0.00 0.00 174.94 176.40 1kk4 s MET 129 N 1.47 2.15 0.62 2.79 -1.94 -0.40 0.24 119.30 124.23 1kk4 s MET 129 Ca 0.05 0.77 -0.18 0.00 -1.71 0.00 0.00 55.69 54.62 1kk4 s MET 129 Cb -0.15 -1.92 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 1kk4 s MET 129 CO -0.03 -1.60 1.24 -2.14 -0.01 0.00 0.00 175.02 172.47 1kk4 s PRO 130 N -5.08 2.81 -1.49 2.03 0.02 -0.13 -3.95 135.00 129.20 1kk4 s PRO 130 Ca 0.61 1.90 -0.12 0.00 0.02 0.00 0.00 61.00 63.41 1kk4 s PRO 130 Cb -0.15 -1.90 0.07 0.00 0.02 0.00 0.00 34.50 32.54 1kk4 s PRO 130 CO 0.55 -1.36 0.98 0.41 -0.33 0.00 0.00 177.00 177.25 1kk4 n GLY 131 N 0.63 -0.51 3.58 0.52 0.00 -1.16 -4.86 105.19 103.39 1kk4 n GLY 131 Ca 0.14 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 1kk4 n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kk4 s VAL 132 N -3.27 4.22 -0.16 1.61 1.01 -1.22 -4.79 120.40 117.79 1kk4 s VAL 132 Ca 0.62 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 1kk4 s VAL 132 Cb -0.31 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1kk4 s VAL 132 CO 0.77 0.52 0.04 -0.75 0.00 0.00 0.00 175.10 175.68 1kk4 s LYS 133 N -0.01 3.79 -0.10 2.72 2.20 -1.26 -0.95 119.74 126.13 1kk4 s LYS 133 Ca 0.03 -0.37 0.02 0.00 -0.36 0.00 0.00 55.97 55.29 1kk4 s LYS 133 Cb -0.13 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1kk4 s LYS 133 CO 0.02 0.35 -0.18 0.42 -0.36 0.00 0.00 175.35 175.60 1kk4 s ILE 134 N 0.14 2.65 0.71 5.43 1.01 0.25 -1.85 121.20 129.54 1kk4 s ILE 134 Ca 0.04 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 1kk4 s ILE 134 Cb -0.12 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.31 1kk4 s ILE 134 CO 0.01 0.55 1.12 -0.83 0.00 0.00 0.00 174.94 175.79 1kk4 s GLY 135 N 0.17 2.05 0.36 6.18 0.00 0.78 -1.18 107.32 115.68 1kk4 s GLY 135 Ca -0.10 0.54 -0.28 0.00 0.00 0.00 0.00 44.72 44.88 1kk4 s GLY 135 CO 0.06 0.91 1.52 0.99 0.00 0.00 0.00 173.10 176.57 1kk4 s ASP 136 N -2.68 6.32 -1.75 1.64 1.01 -1.26 -2.81 116.67 117.15 1kk4 s ASP 136 Ca 0.67 3.05 0.00 0.00 0.71 0.00 0.00 52.55 56.98 1kk4 s ASP 136 Cb -0.21 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.05 1kk4 s ASP 136 CO 0.46 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.55 1kk4 n GLY 137 N 0.77 0.06 3.91 0.21 0.00 0.12 -0.26 105.19 110.00 1kk4 n GLY 137 Ca 0.02 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1kk4 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kk4 s ALA 138 N -2.92 3.70 -0.17 4.61 0.00 -1.12 -3.21 121.76 122.64 1kk4 s ALA 138 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1kk4 s ALA 138 Cb 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.94 1kk4 s ALA 138 CO 0.00 0.29 -0.17 0.42 0.00 0.00 0.00 175.76 176.30 1kk4 s ILE 139 N -2.03 2.34 -0.36 0.00 1.01 -0.38 -1.71 121.20 120.06 1kk4 s ILE 139 Ca 0.42 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 1kk4 s ILE 139 Cb -0.11 -1.99 0.04 0.00 0.01 0.00 0.00 42.46 40.41 1kk4 s ILE 139 CO 0.30 0.52 0.16 -0.69 0.00 0.00 0.00 174.94 175.23 1kk4 s VAL 140 N 1.16 4.12 0.35 2.92 1.01 -0.09 -0.95 120.40 128.92 1kk4 s VAL 140 Ca 0.01 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 1kk4 s VAL 140 Cb -0.14 -3.35 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 1kk4 s VAL 140 CO -0.08 -0.24 0.85 0.00 0.00 0.00 0.00 175.10 175.63 1kk4 n ALA 141 N 4.89 -0.65 -1.62 5.51 0.00 0.69 -0.01 120.51 129.32 1kk4 n ALA 141 Ca -0.12 0.29 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 1kk4 n ALA 141 Cb 0.45 -1.94 0.04 0.00 0.00 0.00 0.00 19.45 18.00 1kk4 n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kk4 n ALA 142 N -0.28 0.25 -1.32 0.00 0.00 -1.26 -2.70 120.51 115.21 1kk4 n ALA 142 Ca 0.11 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.53 1kk4 n ALA 142 Cb 0.35 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 1kk4 n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kk4 n ASN 143 N -0.28 -4.58 -4.91 0.00 3.02 0.33 -4.85 115.26 103.99 1kk4 n ASN 143 Ca 0.12 0.27 -0.27 0.00 -0.03 0.00 0.00 54.58 54.66 1kk4 n ASN 143 Cb 0.44 -3.04 0.05 0.00 -0.61 0.00 0.00 39.78 36.62 1kk4 n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1kk4 s SER 144 N -2.74 5.22 -0.21 6.41 0.01 -1.10 -4.79 113.70 116.50 1kk4 s SER 144 Ca 0.00 0.73 -0.02 0.00 1.31 0.00 0.00 55.95 57.97 1kk4 s SER 144 Cb 0.00 -1.53 0.06 0.00 0.21 0.00 0.00 66.02 64.76 1kk4 s SER 144 CO 0.00 -1.37 0.02 -0.69 0.41 0.00 0.00 173.24 171.61 1kk4 s VAL 145 N -3.20 0.76 -0.44 3.43 1.01 -0.56 -1.17 120.40 120.22 1kk4 s VAL 145 Ca 0.57 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 1kk4 s VAL 145 Cb -0.11 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1kk4 s VAL 145 CO 0.47 -0.20 0.71 -0.69 0.00 0.00 0.00 175.10 175.39 1kk4 s VAL 146 N 1.75 4.74 -0.07 2.92 1.01 -0.15 -0.73 120.40 129.88 1kk4 s VAL 146 Ca -0.02 0.31 0.11 0.00 0.00 0.00 0.00 61.98 62.39 1kk4 s VAL 146 Cb -0.17 -4.25 -0.17 0.00 0.00 0.00 0.00 36.38 31.78 1kk4 s VAL 146 CO -0.08 -0.63 0.27 1.33 0.00 0.00 0.00 175.10 175.99 1kk4 n VAL 147 N 5.97 0.00 -4.24 2.92 0.24 -1.26 -1.27 118.33 120.69 1kk4 n VAL 147 Ca 0.00 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1kk4 n VAL 147 Cb 0.48 0.31 -0.10 0.00 -1.47 0.00 0.00 33.84 33.06 1kk4 n VAL 147 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1kk4 s LYS 148 N -2.72 1.09 0.68 7.34 -2.85 -1.26 -4.93 119.74 117.09 1kk4 s LYS 148 Ca -0.03 -1.52 -0.17 0.00 -1.00 0.00 0.00 55.97 53.25 1kk4 s LYS 148 Cb 0.07 -0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 35.54 1kk4 s LYS 148 CO 0.47 -0.13 0.61 -0.25 0.10 0.00 0.00 175.35 176.16 1kk4 n ASP 149 N -0.23 -0.81 -4.01 0.03 9.92 -1.26 -4.83 116.55 115.36 1kk4 n ASP 149 Ca -0.07 0.65 -0.24 0.00 -0.53 0.00 0.00 54.79 54.60 1kk4 n ASP 149 Cb 0.63 -1.24 -0.16 0.00 -0.64 0.00 0.00 41.12 39.70 1kk4 n ASP 149 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1kk4 s ILE 150 N -1.82 1.04 0.67 0.53 1.01 -0.77 -4.98 121.20 116.87 1kk4 s ILE 150 Ca 0.68 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.78 1kk4 s ILE 150 Cb -0.37 -0.96 -0.00 0.00 0.01 0.00 0.00 42.46 41.13 1kk4 s ILE 150 CO 0.55 0.33 1.06 0.00 0.00 0.00 0.00 174.94 176.88 1kk4 s ALA 151 N 0.65 2.69 0.83 9.38 0.00 -1.26 -0.16 121.76 133.90 1kk4 s ALA 151 Ca -0.13 0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 1kk4 s ALA 151 Cb -0.15 -3.19 0.06 0.00 0.00 0.00 0.00 23.12 19.84 1kk4 s ALA 151 CO 0.03 -1.12 0.91 -2.30 0.00 0.00 0.00 175.76 173.29 1kk4 n PRO 152 N -2.85 0.04 -2.90 0.00 -0.02 -1.26 -2.87 135.00 125.14 1kk4 n PRO 152 Ca 0.08 0.08 -0.08 0.00 -2.02 0.00 0.00 63.50 61.55 1kk4 n PRO 152 Cb 0.53 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 1kk4 n PRO 152 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1kk4 n TYR 153 N -3.29 -1.83 -3.87 6.00 4.02 0.64 -4.86 117.16 113.96 1kk4 n TYR 153 Ca 0.11 0.13 -0.33 0.00 -0.01 0.00 0.00 57.90 57.81 1kk4 n TYR 153 Cb 0.51 -1.18 -0.05 0.00 -0.02 0.00 0.00 39.34 38.60 1kk4 n TYR 153 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1kk4 s MET 154 N -5.44 3.47 -0.28 -0.72 -1.94 -1.14 -1.30 119.30 111.96 1kk4 s MET 154 Ca 0.16 -0.31 -0.10 0.00 -1.71 0.00 0.00 55.69 53.74 1kk4 s MET 154 Cb -0.10 -3.05 -0.03 0.00 2.01 0.00 0.00 34.83 33.66 1kk4 s MET 154 CO 0.20 0.63 0.15 -1.17 -0.01 0.00 0.00 175.02 174.82 1kk4 s LEU 155 N -2.17 3.90 0.10 -0.03 2.96 0.65 -1.25 118.68 122.84 1kk4 s LEU 155 Ca 0.31 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 1kk4 s LEU 155 Cb -0.13 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1kk4 s LEU 155 CO 0.22 -0.08 -0.10 0.00 -1.32 0.00 0.00 176.35 175.07 1kk4 s ALA 156 N 1.69 1.12 -0.18 5.97 0.00 -0.12 0.69 121.76 130.94 1kk4 s ALA 156 Ca 0.06 -1.22 -0.35 0.00 0.00 0.00 0.00 51.96 50.46 1kk4 s ALA 156 Cb -0.16 0.04 0.14 0.00 0.00 0.00 0.00 23.12 23.14 1kk4 s ALA 156 CO 0.08 -0.05 1.26 0.20 0.00 0.00 0.00 175.76 177.24 1kk4 s GLY 157 N -2.53 -0.30 0.00 0.00 0.00 -0.69 -0.22 107.32 103.58 1kk4 s GLY 157 Ca 0.07 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.28 1kk4 s GLY 157 CO -0.00 0.47 0.00 0.61 0.00 0.00 0.00 173.10 174.18 1kk4 n GLY 158 N -0.15 1.27 2.58 0.20 0.00 -1.26 -1.98 105.19 105.85 1kk4 n GLY 158 Ca -0.00 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 1kk4 n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kk4 s ASN 159 N 0.00 3.61 0.93 1.61 2.47 -1.26 -1.50 114.94 120.80 1kk4 s ASN 159 Ca 0.00 -1.47 -0.12 0.00 0.42 0.00 0.00 52.86 51.69 1kk4 s ASN 159 Cb 0.00 -0.49 0.15 0.00 -1.45 0.00 0.00 41.25 39.46 1kk4 s ASN 159 CO 0.00 -0.42 1.09 -2.16 -3.72 0.00 0.00 177.10 171.89 1kk4 s PRO 160 N 1.87 0.94 0.23 0.43 0.04 -1.26 -5.02 135.00 132.22 1kk4 s PRO 160 Ca 0.10 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 1kk4 s PRO 160 Cb -0.17 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1kk4 s PRO 160 CO -0.30 -2.47 0.92 0.00 0.04 0.00 0.00 177.00 175.19 1kk4 s ALA 161 N -2.86 3.35 0.16 8.56 0.00 0.09 -4.86 121.76 126.20 1kk4 s ALA 161 Ca 0.64 0.59 0.07 0.00 0.00 0.00 0.00 51.96 53.27 1kk4 s ALA 161 Cb -0.19 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1kk4 s ALA 161 CO 0.58 0.22 -0.15 -0.80 0.00 0.00 0.00 175.76 175.60 1kk4 s ASN 162 N -1.18 2.39 -0.09 0.00 0.01 -0.84 -4.80 114.94 110.44 1kk4 s ASN 162 Ca 0.41 -0.90 -0.30 0.00 -0.71 0.00 0.00 52.86 51.36 1kk4 s ASN 162 Cb -0.26 -0.12 -0.03 0.00 0.41 0.00 0.00 41.25 41.26 1kk4 s ASN 162 CO 0.31 -0.12 1.23 -1.61 -1.51 0.00 0.00 177.10 175.40 1kk4 s GLU 163 N -3.04 4.31 -0.20 -0.60 2.02 -1.26 -1.70 118.70 118.23 1kk4 s GLU 163 Ca 0.15 1.68 -0.10 0.00 0.02 0.00 0.00 54.97 56.72 1kk4 s GLU 163 Cb -0.04 -3.62 -0.20 0.00 0.10 0.00 0.00 34.13 30.37 1kk4 s GLU 163 CO 0.05 -0.53 0.08 -0.89 0.02 0.00 0.00 175.26 173.99 1kk4 n ILE 164 N 4.85 1.61 -3.60 -1.63 5.41 0.22 -4.97 119.36 121.25 1kk4 n ILE 164 Ca 0.12 -0.42 -0.06 0.00 1.00 0.00 0.00 62.75 63.39 1kk4 n ILE 164 Cb 0.46 -1.78 -0.02 0.00 -0.71 0.00 0.00 39.64 37.59 1kk4 n ILE 164 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1kk4 s LYS 165 N -2.49 0.94 0.23 0.38 2.20 -1.12 -5.01 119.74 114.88 1kk4 s LYS 165 Ca -0.30 -0.43 -0.12 0.00 -0.36 0.00 0.00 55.97 54.77 1kk4 s LYS 165 Cb 0.08 0.38 -0.08 0.00 -1.51 0.00 0.00 37.83 36.71 1kk4 s LYS 165 CO 0.64 -0.42 0.59 -0.65 -0.36 0.00 0.00 175.35 175.15 1kk4 s GLN 166 N -3.16 3.88 0.12 4.03 -0.21 -1.26 -0.25 119.66 122.80 1kk4 s GLN 166 Ca 0.08 0.40 0.11 0.00 0.02 0.00 0.00 55.36 55.98 1kk4 s GLN 166 Cb -0.01 -2.66 -0.14 0.00 1.00 0.00 0.00 33.01 31.20 1kk4 s GLN 166 CO -0.05 0.32 1.13 0.00 -2.12 0.00 0.00 175.29 174.57 1kk4 h ARG 167 N 2.69 0.00 -3.95 2.91 3.08 -1.55 -3.46 114.38 114.10 1kk4 h ARG 167 Ca -0.47 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.46 1kk4 h ARG 167 Cb 1.17 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.12 1kk4 h ARG 167 CO 0.68 0.68 -0.28 -0.06 -1.07 0.00 0.00 179.97 179.92 1kk4 s PHE 168 N -2.78 0.62 0.54 3.04 0.40 -1.26 -5.14 117.98 113.40 1kk4 s PHE 168 Ca 0.00 -0.94 -0.21 0.00 -0.60 0.00 0.00 56.93 55.18 1kk4 s PHE 168 Cb 0.09 -0.05 -0.05 0.00 0.51 0.00 0.00 43.02 43.52 1kk4 s PHE 168 CO 0.80 -0.88 1.28 0.16 0.70 0.00 0.00 175.22 177.28 1kk4 s ASP 169 N -3.07 5.44 0.28 1.36 1.47 -1.26 -4.76 116.67 116.14 1kk4 s ASP 169 Ca 0.28 2.58 0.00 0.00 1.18 0.00 0.00 52.55 56.59 1kk4 s ASP 169 Cb 0.02 -2.62 0.67 0.00 -0.34 0.00 0.00 42.92 40.65 1kk4 s ASP 169 CO 0.10 -1.43 1.63 -0.61 0.68 0.00 0.00 175.17 175.54 1kk4 h GLN 170 N 1.46 0.15 -0.05 2.11 5.75 -2.01 -1.58 115.11 120.94 1kk4 h GLN 170 Ca -0.50 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1kk4 h GLN 170 Cb 1.29 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.77 1kk4 h GLN 170 CO 0.57 0.10 -0.28 0.22 -2.65 0.00 0.00 178.83 176.79 1kk4 h ASP 171 N 0.15 -0.90 -0.60 -0.69 1.82 -1.99 0.34 116.42 114.56 1kk4 h ASP 171 Ca 0.54 0.10 0.13 0.00 -0.39 0.00 0.00 57.03 57.41 1kk4 h ASP 171 Cb 1.07 0.35 -0.11 0.00 0.68 0.00 0.00 39.33 41.32 1kk4 h ASP 171 CO -0.70 -0.26 -0.03 0.74 -1.61 0.00 0.00 179.24 177.38 1kk4 h THR 172 N -0.32 0.48 -0.00 2.25 2.02 -1.73 -1.61 112.91 114.00 1kk4 h THR 172 Ca 0.01 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1kk4 h THR 172 Cb 0.37 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1kk4 h THR 172 CO -0.21 0.02 -0.07 0.40 0.37 0.00 0.00 175.52 176.02 1kk4 h ILE 173 N 0.09 0.81 -0.83 3.11 2.04 -0.65 -1.82 117.51 120.26 1kk4 h ILE 173 Ca 0.31 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.35 1kk4 h ILE 173 Cb 0.50 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1kk4 h ILE 173 CO -0.54 0.00 0.55 0.78 0.00 0.00 0.00 178.15 178.94 1kk4 h ASN 174 N -0.13 0.37 0.24 1.72 -0.26 0.57 -1.48 115.58 116.61 1kk4 h ASN 174 Ca 0.03 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1kk4 h ASN 174 Cb 0.17 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1kk4 h ASN 174 CO -0.08 0.17 -0.12 1.56 -1.06 0.00 0.00 177.43 177.91 1kk4 h GLN 175 N 0.38 -0.31 -0.69 0.81 4.20 -0.57 -2.89 115.11 116.04 1kk4 h GLN 175 Ca 0.42 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.23 1kk4 h GLN 175 Cb 1.04 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 1kk4 h GLN 175 CO -0.14 0.06 0.46 -0.07 -0.67 0.00 0.00 178.83 178.47 1kk4 h LEU 176 N -0.83 0.57 -0.59 1.46 3.38 -0.87 0.91 115.31 119.33 1kk4 h LEU 176 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1kk4 h LEU 176 Cb 0.51 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1kk4 h LEU 176 CO 0.05 0.35 0.00 0.18 0.09 0.00 0.00 178.44 179.12 1kk4 n LEU 177 N -4.48 0.63 -0.10 1.67 4.77 -0.60 -1.80 117.00 117.08 1kk4 n LEU 177 Ca 0.11 0.65 -0.16 0.00 -0.03 0.00 0.00 56.01 56.57 1kk4 n LEU 177 Cb 0.29 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1kk4 n LEU 177 CO 0.33 -0.50 -0.60 -0.67 -1.33 0.00 0.00 177.39 174.62 1kk4 n ASP 178 N -2.18 1.86 -0.13 -1.43 -0.08 0.28 -4.53 116.55 110.33 1kk4 n ASP 178 Ca 0.03 0.48 -0.07 0.00 -1.51 0.00 0.00 54.79 53.72 1kk4 n ASP 178 Cb 0.24 -0.89 0.02 0.00 2.34 0.00 0.00 41.12 42.83 1kk4 n ASP 178 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1kk4 h ILE 179 N -1.00 1.02 -6.13 5.18 5.03 -0.45 -3.48 117.51 117.68 1kk4 h ILE 179 Ca -0.25 -0.16 -0.36 0.00 -0.12 0.00 0.00 64.86 63.97 1kk4 h ILE 179 Cb 1.05 0.50 0.06 0.00 -3.03 0.00 0.00 36.82 35.40 1kk4 h ILE 179 CO -0.15 0.09 -0.80 0.29 -0.68 0.00 0.00 178.15 176.90 1kk4 n LYS 180 N -4.87 -1.32 -0.05 2.37 5.02 -0.75 -4.86 118.16 113.69 1kk4 n LYS 180 Ca 0.02 0.70 0.05 0.00 -2.02 0.00 0.00 58.31 57.06 1kk4 n LYS 180 Cb 0.08 -4.18 0.41 0.00 -0.02 0.00 0.00 35.03 31.32 1kk4 n LYS 180 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1kk4 h TRP 181 N -1.19 0.57 0.00 2.13 5.08 -1.92 -1.86 115.95 118.76 1kk4 h TRP 181 Ca -0.54 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.44 1kk4 h TRP 181 Cb 1.30 -0.19 0.00 0.00 -3.00 0.00 0.00 29.16 27.27 1kk4 h TRP 181 CO 0.29 0.34 0.07 0.11 -1.28 0.00 0.00 178.44 177.97 1kk4 h TRP 182 N 0.59 0.00 -0.07 0.12 0.09 -1.96 -0.01 115.95 114.71 1kk4 h TRP 182 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.18 1kk4 h TRP 182 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.31 1kk4 h TRP 182 CO -0.00 0.00 0.00 0.09 0.09 0.00 0.00 178.44 178.62 1kk4 n ASN 183 N -2.47 1.80 -4.83 0.11 3.02 -0.70 -4.93 115.26 107.26 1kk4 n ASN 183 Ca -0.02 -1.63 -0.35 0.00 -0.03 0.00 0.00 54.58 52.55 1kk4 n ASN 183 Cb 0.11 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 1kk4 n ASN 183 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1kk4 s TRP 184 N -1.92 3.60 0.51 3.10 0.51 -0.02 -5.02 118.94 119.69 1kk4 s TRP 184 Ca 0.35 1.22 -0.20 0.00 -2.12 0.00 0.00 56.10 55.35 1kk4 s TRP 184 Cb 0.20 -2.49 -0.09 0.00 -0.81 0.00 0.00 33.47 30.28 1kk4 s TRP 184 CO 0.31 0.35 0.74 -2.30 -0.51 0.00 0.00 176.95 175.54 1kk4 n PRO 185 N 0.61 0.81 0.24 4.98 -0.02 -1.26 -4.62 135.00 135.73 1kk4 n PRO 185 Ca -0.03 0.30 0.09 0.00 -2.02 0.00 0.00 63.50 61.84 1kk4 n PRO 185 Cb 0.52 -1.85 0.58 0.00 -0.02 0.00 0.00 33.50 32.73 1kk4 n PRO 185 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1kk4 h ILE 186 N 0.71 0.80 -0.22 4.25 2.10 -1.97 -1.72 117.51 121.46 1kk4 h ILE 186 Ca -0.45 -0.79 0.06 0.00 1.08 0.00 0.00 64.86 64.77 1kk4 h ILE 186 Cb 1.38 1.47 -0.01 0.00 -1.09 0.00 0.00 36.82 38.57 1kk4 h ILE 186 CO 0.51 0.20 0.29 0.44 -1.08 0.00 0.00 178.15 178.51 1kk4 h ASP 187 N 0.00 0.00 0.00 2.19 3.32 -1.95 0.17 116.42 120.15 1kk4 h ASP 187 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1kk4 h ASP 187 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1kk4 h ASP 187 CO 0.03 0.00 -1.05 -0.38 -1.72 0.00 0.00 179.24 176.12 1kk4 n ILE 188 N -3.60 1.48 -0.40 0.35 5.41 -0.67 -4.07 119.36 117.85 1kk4 n ILE 188 Ca 0.03 0.08 0.34 0.00 1.00 0.00 0.00 62.75 64.19 1kk4 n ILE 188 Cb 0.42 -2.26 0.61 0.00 -0.71 0.00 0.00 39.64 37.69 1kk4 n ILE 188 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1kk4 h ILE 189 N -1.00 0.14 -0.93 1.39 2.04 -1.29 0.57 117.51 118.44 1kk4 h ILE 189 Ca -0.14 -0.04 0.19 0.00 1.00 0.00 0.00 64.86 65.87 1kk4 h ILE 189 Cb 0.93 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 1kk4 h ILE 189 CO -0.09 0.02 0.60 -1.13 0.00 0.00 0.00 178.15 177.55 1kk4 h ASN 190 N 0.12 0.54 -0.91 1.72 -0.73 -0.81 -1.29 115.58 114.22 1kk4 h ASN 190 Ca 0.80 0.05 -0.55 0.00 1.87 0.00 0.00 56.30 58.48 1kk4 h ASN 190 Cb 2.35 -0.05 -0.29 0.00 0.27 0.00 0.00 38.32 40.60 1kk4 h ASN 190 CO -0.50 0.23 0.58 -0.62 -0.37 0.00 0.00 177.43 176.75 1kk4 n GLU 191 N -4.58 2.45 0.00 6.67 1.02 0.20 -4.21 120.64 122.18 1kk4 n GLU 191 Ca 0.20 -3.20 0.00 0.00 -0.02 0.00 0.00 57.16 54.14 1kk4 n GLU 191 Cb 0.62 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1kk4 n GLU 191 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1kk4 n ASN 192 N -1.04 0.00 -0.32 1.62 3.02 -0.55 -4.90 115.26 113.09 1kk4 n ASN 192 Ca 0.57 -0.75 0.31 0.00 -0.03 0.00 0.00 54.58 54.69 1kk4 n ASN 192 Cb 1.18 0.00 0.57 0.00 -0.61 0.00 0.00 39.78 40.93 1kk4 n ASN 192 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1kk4 n ILE 193 N 0.00 -0.39 -0.04 2.41 5.41 -0.81 0.91 119.36 126.86 1kk4 n ILE 193 Ca 0.00 1.94 -0.12 0.00 1.00 0.00 0.00 62.75 65.56 1kk4 n ILE 193 Cb 0.19 -3.15 -0.07 0.00 -0.71 0.00 0.00 39.64 35.89 1kk4 n ILE 193 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1kk4 h ASP 194 N 0.00 0.20 0.36 4.38 3.32 -1.90 0.20 116.42 122.98 1kk4 h ASP 194 Ca 0.82 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1kk4 h ASP 194 Cb 2.21 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.71 1kk4 h ASP 194 CO -0.72 0.53 0.00 0.29 -1.72 0.00 0.00 179.24 177.62 1kk4 n LYS 195 N -4.76 0.08 -0.08 3.56 5.02 0.26 -2.14 118.16 120.11 1kk4 n LYS 195 Ca -0.06 0.23 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 1kk4 n LYS 195 Cb 0.25 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 1kk4 n LYS 195 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1kk4 n ILE 196 N -1.41 1.52 0.23 -0.18 5.41 0.20 0.22 119.36 125.36 1kk4 n ILE 196 Ca 0.04 -0.73 0.12 0.00 1.00 0.00 0.00 62.75 63.18 1kk4 n ILE 196 Cb 0.13 -1.04 0.44 0.00 -0.71 0.00 0.00 39.64 38.46 1kk4 n ILE 196 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1kk4 h LEU 197 N 0.01 0.00 -3.14 1.39 3.38 -0.18 -3.11 115.31 113.65 1kk4 h LEU 197 Ca -0.49 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 1kk4 h LEU 197 Cb 2.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.80 1kk4 h LEU 197 CO 0.01 0.15 -0.08 -0.90 0.09 0.00 0.00 178.44 177.71 1kk4 n ASP 198 N -3.25 2.75 -1.05 -0.43 5.68 -0.91 -4.98 116.55 114.37 1kk4 n ASP 198 Ca 0.01 -3.30 -0.12 0.00 -0.50 0.00 0.00 54.79 50.88 1kk4 n ASP 198 Cb 0.44 -0.51 -0.05 0.00 -1.14 0.00 0.00 41.12 39.85 1kk4 n ASP 198 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1kk4 n ASN 199 N -1.06 -4.64 -0.24 -1.12 3.02 -1.18 -4.83 115.26 105.21 1kk4 n ASN 199 Ca 0.21 0.30 0.14 0.00 -0.03 0.00 0.00 54.58 55.19 1kk4 n ASN 199 Cb 0.79 -3.75 0.49 0.00 -0.61 0.00 0.00 39.78 36.70 1kk4 n ASN 199 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1kk4 n SER 200 N -0.75 0.90 0.22 6.41 3.41 -0.30 -3.76 113.62 119.75 1kk4 n SER 200 Ca -0.12 -0.89 0.15 0.00 -0.26 0.00 0.00 58.87 57.75 1kk4 n SER 200 Cb 0.52 0.05 0.77 0.00 -0.26 0.00 0.00 64.21 65.28 1kk4 n SER 200 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1kk4 h ILE 201 N 1.16 0.00 0.00 -1.33 2.10 -0.55 -1.69 117.51 117.20 1kk4 h ILE 201 Ca 0.00 -0.10 -0.02 0.00 1.08 0.00 0.00 64.86 65.81 1kk4 h ILE 201 Cb 0.45 0.84 -0.00 0.00 -1.09 0.00 0.00 36.82 37.01 1kk4 h ILE 201 CO 0.00 0.00 -0.12 0.40 -1.08 0.00 0.00 178.15 177.35 1kk4 h ILE 202 N 0.00 0.41 0.02 2.19 2.04 -1.84 -2.74 117.51 117.59 1kk4 h ILE 202 Ca 0.00 -0.64 -0.37 0.00 1.00 0.00 0.00 64.86 64.85 1kk4 h ILE 202 Cb 0.13 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 1kk4 h ILE 202 CO 0.00 0.11 -2.28 0.54 0.00 0.00 0.00 178.15 176.53 1kk4 n ARG 203 N -3.42 0.68 0.17 2.37 1.74 -0.64 -4.52 116.66 113.04 1kk4 n ARG 203 Ca -0.01 0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 57.13 1kk4 n ARG 203 Cb 0.29 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 1kk4 n ARG 203 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1kk4 h GLU 204 N 0.01 -0.42 0.00 5.56 4.39 -1.52 -3.54 114.58 119.06 1kk4 h GLU 204 Ca -0.51 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1kk4 h GLU 204 Cb 2.06 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.81 1kk4 h GLU 204 CO 0.00 -0.28 0.00 1.33 -1.16 0.00 0.00 179.01 178.90