#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kr1 s GLY 2 N 0.00 1.44 -0.15 -0.02 0.00 -0.85 -4.89 107.32 102.85 1kr1 s GLY 2 Ca 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 44.72 42.95 1kr1 s GLY 2 CO 0.00 -1.49 0.07 -0.42 0.00 0.00 0.00 173.10 171.26 1kr1 s ILE 3 N -3.91 4.90 -0.17 0.90 1.01 -1.26 -1.72 121.20 120.96 1kr1 s ILE 3 Ca 0.34 -0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.92 1kr1 s ILE 3 Cb 0.07 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 1kr1 s ILE 3 CO 0.10 0.53 0.01 0.00 0.00 0.00 0.00 174.94 175.58 1kr1 s ALA 4 N -0.25 3.22 0.05 9.38 0.00 0.97 -0.62 121.76 134.50 1kr1 s ALA 4 Ca 0.09 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.36 1kr1 s ALA 4 Cb -0.12 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 1kr1 s ALA 4 CO 0.01 0.21 -0.25 -1.50 0.00 0.00 0.00 175.76 174.23 1kr1 s ILE 5 N 0.31 2.06 -0.20 0.00 1.10 -0.22 -0.27 121.20 123.97 1kr1 s ILE 5 Ca 0.00 -1.37 -0.12 0.00 -0.51 0.00 0.00 60.65 58.65 1kr1 s ILE 5 Cb -0.13 -1.77 -0.05 0.00 0.15 0.00 0.00 42.46 40.66 1kr1 s ILE 5 CO 0.01 0.33 0.22 -0.31 -2.11 0.00 0.00 174.94 173.09 1kr1 s TYR 6 N -0.81 3.39 -0.00 3.50 1.51 -1.08 -1.03 117.35 122.83 1kr1 s TYR 6 Ca 0.11 0.42 0.05 0.00 -1.01 0.00 0.00 57.07 56.65 1kr1 s TYR 6 Cb -0.10 -2.30 -0.02 0.00 -0.11 0.00 0.00 41.96 39.44 1kr1 s TYR 6 CO 0.02 0.17 -0.17 -0.46 -1.11 0.00 0.00 175.55 174.00 1kr1 s TRP 7 N 0.72 1.54 0.00 2.71 -0.00 -0.52 -1.92 118.94 121.48 1kr1 s TRP 7 Ca 0.12 -0.30 0.00 0.00 -0.00 0.00 0.00 56.10 55.92 1kr1 s TRP 7 Cb -0.13 -0.98 0.00 0.00 -0.00 0.00 0.00 33.47 32.36 1kr1 s TRP 7 CO 0.03 -0.01 0.00 0.41 -0.00 0.00 0.00 176.95 177.38 1kr1 n GLY 8 N 2.51 1.37 1.64 5.86 0.00 -1.26 -1.03 105.19 114.28 1kr1 n GLY 8 Ca -0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 1kr1 n GLY 8 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kr1 n GLN 9 N 0.00 4.06 -3.15 1.61 1.13 -1.25 -2.79 117.38 116.99 1kr1 n GLN 9 Ca 0.00 -2.76 0.04 0.00 -1.94 0.00 0.00 57.00 52.34 1kr1 n GLN 9 Cb 0.00 -2.03 -0.01 0.00 0.11 0.00 0.00 30.24 28.31 1kr1 n GLN 9 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1kr1 s ASN 10 N -0.78 -1.39 0.16 1.08 3.84 -1.26 -4.81 114.94 111.79 1kr1 s ASN 10 Ca 0.48 0.87 0.09 0.00 0.21 0.00 0.00 52.86 54.51 1kr1 s ASN 10 Cb 0.34 2.16 0.51 0.00 -0.55 0.00 0.00 41.25 43.71 1kr1 s ASN 10 CO 0.19 -0.26 1.23 0.61 -2.79 0.00 0.00 177.10 176.08 1kr1 n GLY 11 N 5.43 -0.60 0.78 1.21 0.00 -1.26 -1.46 105.19 109.28 1kr1 n GLY 11 Ca -0.01 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1kr1 n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kr1 n ASN 12 N -1.81 2.40 -0.25 1.61 3.02 -1.26 -4.27 115.26 114.71 1kr1 n ASN 12 Ca -0.01 -1.80 0.12 0.00 -0.03 0.00 0.00 54.58 52.87 1kr1 n ASN 12 Cb 0.10 -0.03 0.58 0.00 -0.61 0.00 0.00 39.78 39.81 1kr1 n ASN 12 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1kr1 n GLU 13 N 0.86 1.33 0.00 3.52 0.28 -0.53 -5.02 120.64 121.07 1kr1 n GLU 13 Ca 0.17 -0.49 0.00 0.00 -0.16 0.00 0.00 57.16 56.68 1kr1 n GLU 13 Cb 0.49 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 31.96 1kr1 n GLU 13 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1kr1 n GLY 14 N 1.00 0.83 3.80 -1.84 0.00 -1.26 -4.72 105.19 103.00 1kr1 n GLY 14 Ca 0.18 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1kr1 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kr1 s THR 15 N -2.47 3.06 0.34 2.61 -4.23 -1.26 -4.87 115.64 108.82 1kr1 s THR 15 Ca 0.00 0.34 0.06 0.00 -1.18 0.00 0.00 61.69 60.92 1kr1 s THR 15 Cb 0.00 -3.06 0.12 0.00 1.34 0.00 0.00 72.50 70.90 1kr1 s THR 15 CO 0.00 -0.45 1.83 0.25 -0.54 0.00 0.00 174.62 175.71 1kr1 h LEU 16 N -1.12 0.35 -0.11 4.79 5.85 -1.95 -1.28 115.31 121.84 1kr1 h LEU 16 Ca -0.47 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1kr1 h LEU 16 Cb 1.27 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1kr1 h LEU 16 CO 0.59 0.54 0.04 0.74 -0.34 0.00 0.00 178.44 180.00 1kr1 h THR 17 N 0.33 1.17 -0.83 1.05 2.02 -1.92 -1.88 112.91 112.85 1kr1 h THR 17 Ca 0.06 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1kr1 h THR 17 Cb 0.49 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1kr1 h THR 17 CO 0.03 0.16 0.38 -0.61 0.37 0.00 0.00 175.52 175.84 1kr1 h GLN 18 N 0.00 1.22 -0.30 6.66 -0.00 -1.88 -1.35 115.11 119.45 1kr1 h GLN 18 Ca 0.04 -0.19 0.04 0.00 -0.00 0.00 0.00 58.65 58.53 1kr1 h GLN 18 Cb 0.21 -0.21 -0.04 0.00 0.00 0.00 0.00 27.48 27.45 1kr1 h GLN 18 CO -0.00 0.95 0.09 1.15 0.00 0.00 0.00 178.83 181.02 1kr1 h THR 19 N 1.20 0.89 0.00 2.39 2.02 -1.03 -2.67 112.91 115.71 1kr1 h THR 19 Ca 0.28 -0.07 -0.11 0.00 0.77 0.00 0.00 66.41 67.28 1kr1 h THR 19 Cb 0.16 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1kr1 h THR 19 CO -0.03 0.04 -0.54 0.00 0.37 0.00 0.00 175.52 175.36 1kr1 n SER 21 N -3.44 0.00 0.20 0.00 3.41 -0.52 -2.53 113.62 110.74 1kr1 n SER 21 Ca 0.00 -0.64 0.14 0.00 -0.26 0.00 0.00 58.87 58.11 1kr1 n SER 21 Cb 0.66 -0.07 0.44 0.00 -0.26 0.00 0.00 64.21 64.97 1kr1 n SER 21 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1kr1 h THR 22 N 0.00 0.00 -0.51 6.66 1.35 -1.47 -3.46 112.91 115.47 1kr1 h THR 22 Ca 0.00 -0.62 -0.22 0.00 -0.55 0.00 0.00 66.41 65.02 1kr1 h THR 22 Cb 0.06 1.57 -0.09 0.00 -1.73 0.00 0.00 68.15 67.96 1kr1 h THR 22 CO 0.00 0.00 -0.20 0.54 -0.25 0.00 0.00 175.52 175.61 1kr1 n ARG 23 N -2.80 -1.14 -0.01 4.72 1.74 -1.05 -4.86 116.66 113.27 1kr1 n ARG 23 Ca 0.03 0.84 0.10 0.00 -0.77 0.00 0.00 57.85 58.05 1kr1 n ARG 23 Cb 0.39 -4.95 -0.15 0.00 -1.02 0.00 0.00 32.46 26.72 1kr1 n ARG 23 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kr1 n LYS 24 N -1.90 0.51 -4.83 5.56 5.02 -1.26 -4.96 118.16 116.29 1kr1 n LYS 24 Ca -0.11 -0.14 -0.33 0.00 -2.02 0.00 0.00 58.31 55.71 1kr1 n LYS 24 Cb 0.45 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.84 1kr1 n LYS 24 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1kr1 s TYR 25 N -3.33 2.76 -0.09 2.13 2.02 -1.26 -4.39 117.35 115.18 1kr1 s TYR 25 Ca -0.03 -0.17 0.21 0.00 -0.37 0.00 0.00 57.07 56.70 1kr1 s TYR 25 Cb 0.14 -1.67 -0.30 0.00 -0.40 0.00 0.00 41.96 39.74 1kr1 s TYR 25 CO 0.88 0.17 0.38 0.43 -1.57 0.00 0.00 175.55 175.84 1kr1 n SER 26 N 2.42 0.06 -3.95 2.29 7.64 0.21 -4.91 113.62 117.38 1kr1 n SER 26 Ca -0.17 0.02 -0.14 0.00 1.01 0.00 0.00 58.87 59.59 1kr1 n SER 26 Cb 0.52 1.58 -0.14 0.00 -1.01 0.00 0.00 64.21 65.17 1kr1 n SER 26 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1kr1 s TYR 27 N -3.18 0.34 -0.09 1.43 1.51 -1.11 -2.89 117.35 113.36 1kr1 s TYR 27 Ca -0.08 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1kr1 s TYR 27 Cb 0.11 -0.22 0.02 0.00 -0.11 0.00 0.00 41.96 41.76 1kr1 s TYR 27 CO 0.88 -0.03 -0.10 0.08 -1.11 0.00 0.00 175.55 175.27 1kr1 s VAL 28 N -0.33 1.13 -0.30 0.71 1.01 -0.67 -1.06 120.40 120.88 1kr1 s VAL 28 Ca -0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1kr1 s VAL 28 Cb -0.03 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.27 1kr1 s VAL 28 CO -0.00 0.37 0.11 0.20 0.00 0.00 0.00 175.10 175.78 1kr1 s ASN 29 N 1.16 5.33 -0.37 3.32 0.01 -0.20 -1.36 114.94 122.83 1kr1 s ASN 29 Ca -0.05 -0.58 -0.29 0.00 -0.71 0.00 0.00 52.86 51.23 1kr1 s ASN 29 Cb -0.14 -1.94 0.02 0.00 0.41 0.00 0.00 41.25 39.59 1kr1 s ASN 29 CO -0.02 -0.18 1.11 -0.63 -1.51 0.00 0.00 177.10 175.86 1kr1 s ILE 30 N 1.57 4.39 -0.16 0.60 1.01 0.28 -1.44 121.20 127.44 1kr1 s ILE 30 Ca 0.04 1.55 -0.04 0.00 0.00 0.00 0.00 60.65 62.19 1kr1 s ILE 30 Cb -0.17 -4.47 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 1kr1 s ILE 30 CO 0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 174.94 174.30 1kr1 s ALA 31 N 3.96 3.07 0.14 9.38 0.00 -0.20 -0.75 121.76 137.36 1kr1 s ALA 31 Ca 0.47 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 1kr1 s ALA 31 Cb -0.11 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 1kr1 s ALA 31 CO 0.21 0.19 0.21 -0.06 0.00 0.00 0.00 175.76 176.31 1kr1 s PHE 32 N 0.40 0.46 -0.90 0.00 0.08 -0.07 -3.95 117.98 113.98 1kr1 s PHE 32 Ca -0.03 -0.84 -0.09 0.00 0.12 0.00 0.00 56.93 56.09 1kr1 s PHE 32 Cb -0.14 -0.16 0.23 0.00 -0.57 0.00 0.00 43.02 42.38 1kr1 s PHE 32 CO 0.02 -0.64 0.83 -1.17 -0.10 0.00 0.00 175.22 174.17 1kr1 s LEU 33 N -2.96 6.19 0.00 -0.37 2.96 -0.28 -0.32 118.68 123.90 1kr1 s LEU 33 Ca 0.16 -3.20 0.17 0.00 -0.22 0.00 0.00 54.13 51.04 1kr1 s LEU 33 Cb 0.05 -2.10 0.52 0.00 0.50 0.00 0.00 46.19 45.16 1kr1 s LEU 33 CO -0.02 -0.38 1.41 -0.46 -1.32 0.00 0.00 176.35 175.58 1kr1 n ASN 34 N 3.18 2.04 -3.71 3.68 6.94 -1.20 -2.23 115.26 123.96 1kr1 n ASN 34 Ca 0.18 -1.88 -0.18 0.00 -0.02 0.00 0.00 54.58 52.68 1kr1 n ASN 34 Cb 0.41 -0.20 -0.17 0.00 -2.36 0.00 0.00 39.78 37.46 1kr1 n ASN 34 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1kr1 s LYS 35 N -1.60 -0.06 0.00 -3.83 2.20 -1.18 -2.66 119.74 112.62 1kr1 s LYS 35 Ca 0.30 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1kr1 s LYS 35 Cb 0.16 -0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.09 1kr1 s LYS 35 CO 0.22 -0.26 0.00 1.97 -0.36 0.00 0.00 175.35 176.93 1kr1 n PHE 36 N 4.80 0.00 0.00 4.03 1.16 -1.26 -1.34 117.46 124.85 1kr1 n PHE 36 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.44 1kr1 n PHE 36 Cb 0.50 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 1kr1 n PHE 36 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1kr1 n GLY 37 N -0.21 -0.67 3.10 4.97 0.00 -1.23 -1.24 105.19 109.90 1kr1 n GLY 37 Ca 0.00 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 1kr1 n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kr1 n ASN 38 N -1.02 -5.53 0.00 1.61 5.15 -1.26 -2.18 115.26 112.03 1kr1 n ASN 38 Ca 0.00 -0.31 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 1kr1 n ASN 38 Cb 0.00 -4.49 0.00 0.00 -0.53 0.00 0.00 39.78 34.76 1kr1 n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kr1 n GLY 39 N -1.43 1.04 3.79 8.20 0.00 -1.26 -5.04 105.19 110.49 1kr1 n GLY 39 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1kr1 n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kr1 s GLN 40 N -0.31 3.94 -0.22 1.61 -0.21 -0.93 -4.99 119.66 118.56 1kr1 s GLN 40 Ca 0.00 1.42 -0.29 0.00 0.02 0.00 0.00 55.36 56.51 1kr1 s GLN 40 Cb 0.00 -2.27 -0.00 0.00 1.00 0.00 0.00 33.01 31.74 1kr1 s GLN 40 CO 0.00 -0.32 1.18 0.99 -2.12 0.00 0.00 175.29 175.03 1kr1 s THR 41 N -1.85 4.40 0.22 -0.19 2.01 -1.26 -4.25 115.64 114.72 1kr1 s THR 41 Ca 0.64 1.67 -0.31 0.00 0.31 0.00 0.00 61.69 63.99 1kr1 s THR 41 Cb -0.19 -4.16 -0.15 0.00 0.01 0.00 0.00 72.50 68.02 1kr1 s THR 41 CO 0.23 -0.24 1.22 -2.65 -0.69 0.00 0.00 174.62 172.48 1kr1 n PRO 42 N 6.67 1.49 -3.78 4.92 -0.02 -1.26 -4.67 135.00 138.35 1kr1 n PRO 42 Ca 0.13 0.53 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 1kr1 n PRO 42 Cb 0.46 -2.06 -0.15 0.00 -0.02 0.00 0.00 33.50 31.73 1kr1 n PRO 42 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1kr1 s GLN 43 N -0.61 0.01 0.09 -0.52 0.74 -0.45 -4.99 119.66 113.93 1kr1 s GLN 43 Ca 0.69 0.23 -0.03 0.00 0.05 0.00 0.00 55.36 56.30 1kr1 s GLN 43 Cb -0.76 -0.19 -0.05 0.00 1.10 0.00 0.00 33.01 33.12 1kr1 s GLN 43 CO 0.53 -0.14 0.29 -1.50 -0.55 0.00 0.00 175.29 173.91 1kr1 s ILE 44 N 0.95 5.29 -0.14 -2.34 2.07 -1.26 -3.13 121.20 122.63 1kr1 s ILE 44 Ca -0.08 -0.14 -0.01 0.00 -1.41 0.00 0.00 60.65 59.02 1kr1 s ILE 44 Cb -0.11 -3.62 0.04 0.00 0.13 0.00 0.00 42.46 38.90 1kr1 s ILE 44 CO -0.03 0.13 -0.06 0.21 -1.91 0.00 0.00 174.94 173.28 1kr1 s ASN 45 N -2.36 2.55 -0.30 4.50 3.84 0.57 -4.76 114.94 118.97 1kr1 s ASN 45 Ca 0.36 -0.52 0.07 0.00 0.21 0.00 0.00 52.86 52.99 1kr1 s ASN 45 Cb -0.13 -0.86 0.46 0.00 -0.55 0.00 0.00 41.25 40.17 1kr1 s ASN 45 CO 0.25 -0.16 1.18 0.18 -2.79 0.00 0.00 177.10 175.75 1kr1 n LEU 46 N 4.91 4.81 0.00 3.21 4.77 -1.26 -0.90 117.00 132.55 1kr1 n LEU 46 Ca -0.12 -4.75 0.00 0.00 -0.03 0.00 0.00 56.01 51.11 1kr1 n LEU 46 Cb 0.49 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1kr1 n LEU 46 CO 0.16 2.09 0.00 0.00 -1.33 0.00 0.00 177.39 178.32 1kr1 n ALA 47 N -0.68 0.00 1.38 -1.18 0.00 -1.12 -1.16 120.51 117.75 1kr1 n ALA 47 Ca 0.42 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.93 1kr1 n ALA 47 Cb 0.93 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.66 1kr1 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kr1 n GLY 48 N 0.00 -0.04 0.13 0.00 0.00 -1.26 -4.23 105.19 99.79 1kr1 n GLY 48 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1kr1 n GLY 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1kr1 h HIS 49 N 1.40 -0.20 -2.83 1.61 -0.00 -1.42 -3.43 115.15 110.28 1kr1 h HIS 49 Ca 0.00 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.40 1kr1 h HIS 49 Cb 0.31 0.07 -0.11 0.00 -0.00 0.00 0.00 27.41 27.68 1kr1 h HIS 49 CO 0.11 0.09 0.28 0.00 -0.00 0.00 0.00 177.93 178.41 1kr1 s ASN 51 N -2.76 5.54 0.48 0.00 0.01 -1.26 -4.57 114.94 112.38 1kr1 s ASN 51 Ca 0.05 -0.86 0.18 0.00 -0.71 0.00 0.00 52.86 51.52 1kr1 s ASN 51 Cb -0.02 -1.98 1.18 0.00 0.41 0.00 0.00 41.25 40.85 1kr1 s ASN 51 CO -0.07 -0.30 2.02 1.55 -1.51 0.00 0.00 177.10 178.79 1kr1 h PRO 52 N 8.35 0.21 -6.76 -0.60 0.13 -1.86 -2.87 132.00 128.61 1kr1 h PRO 52 Ca -0.28 -0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.29 1kr1 h PRO 52 Cb 1.11 -0.05 0.09 0.00 0.13 0.00 0.00 31.00 32.29 1kr1 h PRO 52 CO 0.64 0.14 0.78 0.00 -0.23 0.00 0.00 178.00 179.33 1kr1 n ALA 53 N -2.56 2.12 -2.51 -0.56 0.00 -1.26 -2.26 120.51 113.48 1kr1 n ALA 53 Ca 0.07 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.73 1kr1 n ALA 53 Cb 0.39 -2.40 0.01 0.00 0.00 0.00 0.00 19.45 17.44 1kr1 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kr1 n ALA 54 N 1.81 -0.56 -2.23 0.00 0.00 -1.26 -2.81 120.51 115.46 1kr1 n ALA 54 Ca 0.08 0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.52 1kr1 n ALA 54 Cb 0.36 -2.27 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 1kr1 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kr1 n GLY 55 N -1.14 -0.11 0.08 0.00 0.00 -0.96 -4.89 105.19 98.17 1kr1 n GLY 55 Ca -0.14 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1kr1 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kr1 n GLY 56 N -1.01 -1.25 0.48 -0.02 0.00 -1.09 -2.80 105.19 99.49 1kr1 n GLY 56 Ca -0.19 0.03 0.05 0.00 0.00 0.00 0.00 46.02 45.90 1kr1 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kr1 h THR 58 N 1.80 0.00 0.00 0.00 1.35 -1.48 -1.72 112.91 112.86 1kr1 h THR 58 Ca 0.00 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 1kr1 h THR 58 Cb 0.57 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1kr1 h THR 58 CO 0.00 0.00 -0.05 -0.29 -0.25 0.00 0.00 175.52 174.93 1kr1 h ILE 59 N 0.00 0.24 0.00 6.82 6.09 -1.81 -2.62 117.51 126.24 1kr1 h ILE 59 Ca 0.00 -0.37 -0.00 0.00 -1.37 0.00 0.00 64.86 63.12 1kr1 h ILE 59 Cb 0.10 1.29 -0.00 0.00 0.47 0.00 0.00 36.82 38.68 1kr1 h ILE 59 CO 0.00 0.05 -0.00 0.58 -3.07 0.00 0.00 178.15 175.71 1kr1 h VAL 60 N 0.00 0.10 -0.61 2.19 2.07 -1.48 -2.27 116.25 116.25 1kr1 h VAL 60 Ca -0.00 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1kr1 h VAL 60 Cb 0.29 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1kr1 h VAL 60 CO 0.01 0.00 0.41 0.28 0.02 0.00 0.00 177.57 178.29 1kr1 h SER 61 N 0.00 0.44 -0.64 0.57 0.02 -1.05 -0.77 113.55 112.12 1kr1 h SER 61 Ca -0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1kr1 h SER 61 Cb 0.01 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1kr1 h SER 61 CO 0.00 0.27 0.34 0.78 -1.14 0.00 0.00 176.83 177.08 1kr1 h ASN 62 N 0.49 0.81 -0.32 3.07 2.35 -1.66 -0.92 115.58 119.41 1kr1 h ASN 62 Ca 0.28 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 1kr1 h ASN 62 Cb 0.45 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1kr1 h ASN 62 CO -0.08 0.68 -0.12 1.23 -1.65 0.00 0.00 177.43 177.48 1kr1 h GLY 63 N 0.88 0.70 0.65 2.83 0.00 -1.36 -0.84 103.07 105.92 1kr1 h GLY 63 Ca 0.22 -0.61 0.05 0.00 0.00 0.00 0.00 47.33 46.99 1kr1 h GLY 63 CO -0.03 0.55 0.13 -2.22 0.00 0.00 0.00 176.54 174.97 1kr1 h ILE 64 N 0.41 0.88 -0.46 2.60 2.04 -0.96 0.11 117.51 122.12 1kr1 h ILE 64 Ca 0.07 -0.10 -0.13 0.00 1.00 0.00 0.00 64.86 65.71 1kr1 h ILE 64 Cb 0.64 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1kr1 h ILE 64 CO 0.04 0.05 -0.21 0.03 0.00 0.00 0.00 178.15 178.06 1kr1 h ARG 65 N 0.28 0.94 -0.85 2.37 3.08 -1.13 -1.44 114.38 117.63 1kr1 h ARG 65 Ca 0.18 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 1kr1 h ARG 65 Cb 0.16 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1kr1 h ARG 65 CO -0.19 1.06 0.51 1.03 -1.07 0.00 0.00 179.97 181.32 1kr1 h SER 66 N 0.82 1.02 0.06 7.04 0.87 -0.58 -1.15 113.55 121.63 1kr1 h SER 66 Ca 0.11 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1kr1 h SER 66 Cb 0.77 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1kr1 h SER 66 CO 0.06 0.78 -0.03 0.00 -0.53 0.00 0.00 176.83 177.12 1kr1 h GLN 68 N -0.37 1.07 0.00 0.00 4.20 -1.01 0.37 115.11 119.36 1kr1 h GLN 68 Ca -0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1kr1 h GLN 68 Cb 0.33 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1kr1 h GLN 68 CO 0.01 0.71 -0.02 0.97 -0.67 0.00 0.00 178.83 179.83 1kr1 h ILE 69 N 1.10 0.11 -0.21 2.54 2.10 -1.25 0.31 117.51 122.21 1kr1 h ILE 69 Ca 0.42 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 66.05 1kr1 h ILE 69 Cb 0.19 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 1kr1 h ILE 69 CO -0.18 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 176.91 1kr1 n GLN 70 N -3.19 1.76 -0.78 2.19 6.02 0.06 -4.90 117.38 118.55 1kr1 n GLN 70 Ca -0.01 -1.16 0.00 0.00 -0.01 0.00 0.00 57.00 55.82 1kr1 n GLN 70 Cb 0.20 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1kr1 n GLN 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kr1 n GLY 71 N 1.12 0.76 3.73 1.08 0.00 0.10 -5.03 105.19 106.96 1kr1 n GLY 71 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1kr1 n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kr1 s ILE 72 N -2.83 4.87 -0.14 -0.61 1.01 -0.86 -4.98 121.20 117.67 1kr1 s ILE 72 Ca 0.00 1.55 -0.19 0.00 0.00 0.00 0.00 60.65 62.01 1kr1 s ILE 72 Cb 0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1kr1 s ILE 72 CO 0.00 0.32 0.52 -0.54 0.00 0.00 0.00 174.94 175.24 1kr1 s LYS 73 N 0.30 4.30 -0.18 2.79 1.02 -1.14 -3.47 119.74 123.36 1kr1 s LYS 73 Ca 0.38 0.50 -0.03 0.00 0.02 0.00 0.00 55.97 56.84 1kr1 s LYS 73 Cb -0.19 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.62 1kr1 s LYS 73 CO 0.21 0.04 -0.07 0.08 -0.92 0.00 0.00 175.35 174.69 1kr1 s VAL 74 N 1.01 3.36 0.16 3.17 1.01 -1.26 -1.68 120.40 126.17 1kr1 s VAL 74 Ca 0.27 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.82 1kr1 s VAL 74 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1kr1 s VAL 74 CO 0.11 0.46 -0.13 -0.04 0.00 0.00 0.00 175.10 175.50 1kr1 s MET 75 N 0.98 1.94 -0.26 2.72 -1.94 -0.46 -0.76 119.30 121.52 1kr1 s MET 75 Ca -0.00 -1.27 -0.17 0.00 -1.71 0.00 0.00 55.69 52.54 1kr1 s MET 75 Cb -0.15 -2.12 -0.03 0.00 2.01 0.00 0.00 34.83 34.54 1kr1 s MET 75 CO 0.00 0.44 0.47 -1.17 -0.01 0.00 0.00 175.02 174.75 1kr1 s LEU 76 N -2.62 4.05 -0.21 -0.03 2.96 -0.86 -0.55 118.68 121.41 1kr1 s LEU 76 Ca 0.23 0.45 -0.23 0.00 -0.22 0.00 0.00 54.13 54.36 1kr1 s LEU 76 Cb -0.09 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1kr1 s LEU 76 CO 0.13 -0.25 0.74 -0.55 -1.32 0.00 0.00 176.35 175.10 1kr1 s SER 77 N 1.55 6.78 -0.04 3.68 0.15 0.07 -0.37 113.70 125.52 1kr1 s SER 77 Ca 0.19 0.96 -0.18 0.00 0.70 0.00 0.00 55.95 57.63 1kr1 s SER 77 Cb -0.16 -2.40 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 1kr1 s SER 77 CO 0.09 -0.39 0.48 -0.76 1.20 0.00 0.00 173.24 173.87 1kr1 s LEU 78 N 2.30 4.39 0.00 3.45 1.43 0.18 -1.13 118.68 129.31 1kr1 s LEU 78 Ca 0.33 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 1kr1 s LEU 78 Cb -0.16 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1kr1 s LEU 78 CO 0.10 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1kr1 n GLY 79 N 2.50 0.94 0.00 -3.19 0.00 -0.95 -0.53 105.19 103.97 1kr1 n GLY 79 Ca -0.10 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1kr1 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kr1 n GLY 80 N 0.00 -3.04 0.20 -0.02 0.00 0.09 -4.17 105.19 98.25 1kr1 n GLY 80 Ca 0.00 -2.15 0.01 0.00 0.00 0.00 0.00 46.02 43.87 1kr1 n GLY 80 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1kr1 h GLY 81 N 0.00 0.14 -4.51 -0.02 0.00 -1.98 -3.40 103.07 93.29 1kr1 h GLY 81 Ca 0.00 -0.12 -0.69 0.00 0.00 0.00 0.00 47.33 46.52 1kr1 h GLY 81 CO 0.00 0.11 -0.85 -0.42 0.00 0.00 0.00 176.54 175.37 1kr1 s ILE 82 N -4.23 2.36 0.00 2.60 1.01 -1.26 -5.01 121.20 116.67 1kr1 s ILE 82 Ca -0.04 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.44 1kr1 s ILE 82 Cb 0.14 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.71 1kr1 s ILE 82 CO 0.75 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.76 1kr1 n GLY 83 N 2.02 4.39 1.81 6.18 0.00 -1.26 -4.80 105.19 113.53 1kr1 n GLY 83 Ca -0.16 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 44.80 1kr1 n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kr1 n SER 84 N 0.00 5.44 -4.72 1.61 3.41 -1.15 -4.98 113.62 113.23 1kr1 n SER 84 Ca 0.00 -2.87 -0.40 0.00 -0.26 0.00 0.00 58.87 55.34 1kr1 n SER 84 Cb 0.00 -0.67 0.02 0.00 -0.26 0.00 0.00 64.21 63.29 1kr1 n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kr1 n TYR 85 N 0.60 2.25 -3.93 7.33 0.18 -1.09 -4.61 117.16 117.88 1kr1 n TYR 85 Ca 0.26 0.47 -0.01 0.00 1.88 0.00 0.00 57.90 60.51 1kr1 n TYR 85 Cb 1.14 -2.39 0.02 0.00 -0.38 0.00 0.00 39.34 37.73 1kr1 n TYR 85 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1kr1 s THR 86 N -1.22 0.00 -0.09 -3.48 -1.32 -0.37 -4.67 115.64 104.50 1kr1 s THR 86 Ca 0.63 -0.42 -0.03 0.00 -1.21 0.00 0.00 61.69 60.66 1kr1 s THR 86 Cb -0.48 -2.96 0.04 0.00 -1.51 0.00 0.00 72.50 67.59 1kr1 s THR 86 CO 0.56 0.00 0.08 -0.76 -2.21 0.00 0.00 174.62 172.29 1kr1 s LEU 87 N -3.59 0.18 0.34 9.08 1.43 -1.26 -3.54 118.68 121.32 1kr1 s LEU 87 Ca 0.25 -0.12 0.21 0.00 -1.03 0.00 0.00 54.13 53.44 1kr1 s LEU 87 Cb -0.02 -0.13 0.19 0.00 0.03 0.00 0.00 46.19 46.26 1kr1 s LEU 87 CO 0.03 -0.28 1.41 0.00 0.23 0.00 0.00 176.35 177.74 1kr1 h ALA 88 N 8.43 0.81 -2.76 4.21 0.00 -1.93 -3.46 119.26 124.56 1kr1 h ALA 88 Ca -0.13 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1kr1 h ALA 88 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1kr1 h ALA 88 CO 0.20 0.18 0.46 -1.13 0.00 0.00 0.00 179.25 178.96 1kr1 n SER 89 N -3.03 -2.01 0.12 0.00 3.41 -1.26 -4.98 113.62 105.88 1kr1 n SER 89 Ca 0.02 -2.22 -0.02 0.00 -0.26 0.00 0.00 58.87 56.39 1kr1 n SER 89 Cb 0.59 3.31 0.20 0.00 -0.26 0.00 0.00 64.21 68.05 1kr1 n SER 89 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1kr1 h GLN 90 N 0.00 0.11 -0.57 4.33 4.15 -1.94 -2.12 115.11 119.07 1kr1 h GLN 90 Ca -0.30 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 58.94 1kr1 h GLN 90 Cb 1.23 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.91 1kr1 h GLN 90 CO 0.40 0.62 -0.06 0.00 -1.93 0.00 0.00 178.83 177.85 1kr1 h ALA 91 N 1.37 0.81 -0.87 3.38 0.00 -1.99 -2.04 119.26 119.91 1kr1 h ALA 91 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1kr1 h ALA 91 Cb 0.97 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1kr1 h ALA 91 CO 0.08 0.67 0.49 0.22 0.00 0.00 0.00 179.25 180.70 1kr1 h ASP 92 N 0.94 1.08 -0.88 0.00 3.58 -1.85 -0.51 116.42 118.78 1kr1 h ASP 92 Ca 0.16 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.52 1kr1 h ASP 92 Cb 0.62 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 1kr1 h ASP 92 CO 0.04 0.86 0.59 0.00 -2.88 0.00 0.00 179.24 177.85 1kr1 h ALA 93 N 1.26 1.12 -0.38 -0.78 0.00 -0.93 -0.31 119.26 119.24 1kr1 h ALA 93 Ca 0.31 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1kr1 h ALA 93 Cb 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1kr1 h ALA 93 CO -0.05 0.51 -0.04 -0.22 0.00 0.00 0.00 179.25 179.45 1kr1 h LYS 94 N 1.19 0.70 -0.62 0.00 3.64 -0.66 -0.92 116.57 119.91 1kr1 h LYS 94 Ca 0.33 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1kr1 h LYS 94 Cb -0.13 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1kr1 h LYS 94 CO -0.07 0.82 0.31 -0.91 -2.27 0.00 0.00 179.45 177.33 1kr1 h ASN 95 N 0.51 0.80 -0.54 4.20 -0.26 -0.69 -0.95 115.58 118.66 1kr1 h ASN 95 Ca 0.10 -0.12 -0.12 0.00 -0.56 0.00 0.00 56.30 55.61 1kr1 h ASN 95 Cb 0.53 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 1kr1 h ASN 95 CO 0.03 0.70 -0.12 0.58 -1.06 0.00 0.00 177.43 177.55 1kr1 h VAL 96 N 0.85 1.27 -0.45 2.81 2.07 -0.99 -0.98 116.25 120.83 1kr1 h VAL 96 Ca 0.22 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1kr1 h VAL 96 Cb 0.10 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1kr1 h VAL 96 CO -0.03 0.45 0.26 0.00 0.02 0.00 0.00 177.57 178.27 1kr1 h ALA 97 N 0.92 0.58 -0.24 1.67 0.00 -0.86 0.24 119.26 121.56 1kr1 h ALA 97 Ca 0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1kr1 h ALA 97 Cb 0.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1kr1 h ALA 97 CO 0.05 0.09 -0.21 -0.44 0.00 0.00 0.00 179.25 178.74 1kr1 h ASP 98 N 0.59 0.44 0.05 0.00 3.32 -1.05 -1.03 116.42 118.73 1kr1 h ASP 98 Ca 0.16 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1kr1 h ASP 98 Cb 0.03 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1kr1 h ASP 98 CO -0.03 0.66 -0.02 0.22 -1.72 0.00 0.00 179.24 178.35 1kr1 h TYR 99 N 0.40 -0.06 -0.68 4.55 3.20 -0.63 -1.89 116.97 121.86 1kr1 h TYR 99 Ca 0.06 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1kr1 h TYR 99 Cb 0.60 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 1kr1 h TYR 99 CO 0.02 0.11 0.44 -0.07 -1.64 0.00 0.00 178.16 177.01 1kr1 h LEU 100 N -0.22 0.79 -0.02 2.82 3.38 -0.72 -0.39 115.31 120.95 1kr1 h LEU 100 Ca -0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1kr1 h LEU 100 Cb 0.19 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1kr1 h LEU 100 CO 0.01 0.58 0.01 -0.25 0.09 0.00 0.00 178.44 178.88 1kr1 h TRP 101 N 0.93 0.04 0.00 1.13 2.91 -0.99 0.49 115.95 120.46 1kr1 h TRP 101 Ca 0.25 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.22 1kr1 h TRP 101 Cb -0.09 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.54 1kr1 h TRP 101 CO 0.00 0.23 -0.20 -0.91 -1.03 0.00 0.00 178.44 176.53 1kr1 h ASN 102 N -0.16 0.00 0.00 2.65 2.35 -1.10 0.45 115.58 119.77 1kr1 h ASN 102 Ca 0.01 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 1kr1 h ASN 102 Cb 0.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1kr1 h ASN 102 CO -0.00 0.20 -1.87 0.59 -1.65 0.00 0.00 177.43 174.70 1kr1 n ASN 103 N -3.21 1.20 0.00 5.81 3.02 -0.18 -2.83 115.26 119.07 1kr1 n ASN 103 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1kr1 n ASN 103 Cb 0.53 1.43 0.00 0.00 -0.61 0.00 0.00 39.78 41.13 1kr1 n ASN 103 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1kr1 n PHE 104 N -2.26 0.00 0.00 3.10 3.72 0.09 -4.36 117.46 117.74 1kr1 n PHE 104 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1kr1 n PHE 104 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 1kr1 n PHE 104 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1kr1 n LEU 105 N -0.71 0.00 0.00 4.37 4.77 -0.74 -1.52 117.00 123.16 1kr1 n LEU 105 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1kr1 n LEU 105 Cb 0.00 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.61 1kr1 n LEU 105 CO 0.00 0.00 0.83 0.61 -1.33 0.00 0.00 177.39 177.50 1kr1 n GLY 106 N 5.00 -0.99 0.00 -0.72 0.00 -1.16 -4.75 105.19 102.57 1kr1 n GLY 106 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1kr1 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kr1 n GLY 107 N 0.76 -0.29 3.04 -0.02 0.00 0.15 -4.96 105.19 103.87 1kr1 n GLY 107 Ca 0.13 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 1kr1 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kr1 s LYS 108 N 0.50 0.69 -0.22 1.61 -0.14 -1.17 -4.75 119.74 116.25 1kr1 s LYS 108 Ca 0.00 -0.43 -0.26 0.00 -1.36 0.00 0.00 55.97 53.91 1kr1 s LYS 108 Cb 0.00 -0.64 0.08 0.00 -1.68 0.00 0.00 37.83 35.59 1kr1 s LYS 108 CO 0.00 0.17 0.74 0.45 -0.76 0.00 0.00 175.35 175.95 1kr1 s SER 109 N -0.54 -0.69 0.00 2.83 0.15 -1.13 -4.68 113.70 109.65 1kr1 s SER 109 Ca 0.01 1.21 0.30 0.00 0.70 0.00 0.00 55.95 58.17 1kr1 s SER 109 Cb -0.05 1.18 1.55 0.00 -1.71 0.00 0.00 66.02 66.99 1kr1 s SER 109 CO 0.00 -0.32 2.03 -1.20 1.20 0.00 0.00 173.24 174.95 1kr1 n SER 110 N 2.20 0.41 -2.91 5.45 7.64 -1.26 -4.08 113.62 121.07 1kr1 n SER 110 Ca -0.15 -0.94 -0.13 0.00 1.01 0.00 0.00 58.87 58.66 1kr1 n SER 110 Cb 0.56 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 1kr1 n SER 110 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1kr1 n SER 111 N -0.77 0.54 -4.63 6.43 3.41 -1.26 -5.08 113.62 112.25 1kr1 n SER 111 Ca 0.20 -2.93 -0.43 0.00 -0.26 0.00 0.00 58.87 55.46 1kr1 n SER 111 Cb 0.21 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 1kr1 n SER 111 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1kr1 s ARG 112 N -2.23 3.84 0.31 4.33 0.52 -1.26 -4.90 118.95 119.57 1kr1 s ARG 112 Ca 0.32 1.80 0.07 0.00 -0.52 0.00 0.00 55.73 57.40 1kr1 s ARG 112 Cb 0.39 -4.05 0.87 0.00 0.52 0.00 0.00 34.95 32.68 1kr1 s ARG 112 CO -0.03 -1.25 1.66 -1.35 0.02 0.00 0.00 175.30 174.35 1kr1 h PRO 113 N 10.73 0.26 -0.43 3.54 0.11 -1.93 -2.23 132.00 142.06 1kr1 h PRO 113 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1kr1 h PRO 113 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1kr1 h PRO 113 CO 0.99 0.17 0.00 1.28 -0.21 0.00 0.00 178.00 180.23 1kr1 n LEU 114 N -5.15 3.17 0.00 2.35 4.77 -1.26 -3.19 117.00 117.70 1kr1 n LEU 114 Ca 0.26 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 1kr1 n LEU 114 Cb 0.80 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1kr1 n LEU 114 CO 0.08 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1kr1 n GLY 115 N 0.74 -1.39 0.00 -0.72 0.00 -0.84 -2.27 105.19 100.71 1kr1 n GLY 115 Ca 0.15 -2.13 0.14 0.00 0.00 0.00 0.00 46.02 44.18 1kr1 n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kr1 n ASP 116 N 0.00 0.00 -4.76 1.61 8.00 -1.26 -4.78 116.55 115.35 1kr1 n ASP 116 Ca 0.00 -0.13 -0.39 0.00 0.71 0.00 0.00 54.79 54.98 1kr1 n ASP 116 Cb 0.00 -0.29 0.01 0.00 -0.02 0.00 0.00 41.12 40.82 1kr1 n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kr1 s ALA 117 N -2.57 3.14 -0.40 2.24 0.00 -1.26 -4.98 121.76 117.93 1kr1 s ALA 117 Ca 0.28 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.38 1kr1 s ALA 117 Cb 0.20 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1kr1 s ALA 117 CO 0.45 -1.00 0.26 0.08 0.00 0.00 0.00 175.76 175.55 1kr1 s VAL 118 N -1.29 4.96 0.75 0.00 1.01 -1.26 -4.78 120.40 119.79 1kr1 s VAL 118 Ca 0.61 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1kr1 s VAL 118 Cb -0.39 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.27 1kr1 s VAL 118 CO 0.49 -0.28 1.22 -0.76 0.00 0.00 0.00 175.10 175.76 1kr1 s LEU 119 N 1.62 3.29 0.25 3.92 1.02 -0.58 -4.93 118.68 123.28 1kr1 s LEU 119 Ca 0.04 2.39 0.12 0.00 0.02 0.00 0.00 54.13 56.70 1kr1 s LEU 119 Cb -0.19 -4.59 0.23 0.00 0.02 0.00 0.00 46.19 41.65 1kr1 s LEU 119 CO 0.09 -2.37 1.52 0.44 0.02 0.00 0.00 176.35 176.04 1kr1 h ASP 120 N -0.41 0.00 -0.25 2.29 3.32 -1.28 -3.46 116.42 116.64 1kr1 h ASP 120 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1kr1 h ASP 120 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1kr1 h ASP 120 CO 0.49 0.65 0.00 0.61 -1.72 0.00 0.00 179.24 179.27 1kr1 n GLY 121 N 0.70 1.01 3.17 2.75 0.00 -1.19 -0.45 105.19 111.18 1kr1 n GLY 121 Ca -0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 1kr1 n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kr1 s ILE 122 N -2.32 1.61 -0.16 -0.61 -1.09 -0.10 -2.04 121.20 116.50 1kr1 s ILE 122 Ca 0.00 -0.81 -0.05 0.00 -2.23 0.00 0.00 60.65 57.56 1kr1 s ILE 122 Cb 0.00 -1.38 -0.03 0.00 -1.58 0.00 0.00 42.46 39.47 1kr1 s ILE 122 CO 0.00 0.46 0.00 -0.62 -1.23 0.00 0.00 174.94 173.55 1kr1 s ASP 123 N 0.01 5.14 -0.55 3.58 2.15 0.50 -1.56 116.67 125.93 1kr1 s ASP 123 Ca -0.04 -0.02 -0.18 0.00 0.43 0.00 0.00 52.55 52.74 1kr1 s ASP 123 Cb -0.12 -1.81 0.10 0.00 -0.30 0.00 0.00 42.92 40.79 1kr1 s ASP 123 CO 0.03 0.20 0.61 -0.36 -0.17 0.00 0.00 175.17 175.47 1kr1 s PHE 124 N 0.21 3.10 -0.63 -5.34 0.40 0.87 0.51 117.98 117.10 1kr1 s PHE 124 Ca 0.00 -0.99 0.03 0.00 -0.60 0.00 0.00 56.93 55.38 1kr1 s PHE 124 Cb -0.13 -3.80 0.37 0.00 0.51 0.00 0.00 43.02 39.97 1kr1 s PHE 124 CO 0.02 -1.13 1.28 0.00 0.70 0.00 0.00 175.22 176.08 1kr1 n ALA 125 N 5.90 5.27 -2.58 5.36 0.00 0.31 -0.73 120.51 134.04 1kr1 n ALA 125 Ca -0.11 -4.47 -0.43 0.00 0.00 0.00 0.00 53.44 48.43 1kr1 n ALA 125 Cb 0.42 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 1kr1 n ALA 125 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1kr1 s ILE 126 N -4.94 4.35 -0.36 0.00 -1.09 -1.25 -0.73 121.20 117.18 1kr1 s ILE 126 Ca 0.48 0.83 0.15 0.00 -2.23 0.00 0.00 60.65 59.88 1kr1 s ILE 126 Cb 0.33 -4.52 -0.20 0.00 -1.58 0.00 0.00 42.46 36.50 1kr1 s ILE 126 CO -0.20 -0.96 0.48 0.00 -1.23 0.00 0.00 174.94 173.03 1kr1 n ALA 127 N 7.49 3.24 -3.84 9.38 0.00 -1.26 -4.75 120.51 130.77 1kr1 n ALA 127 Ca 0.07 -0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.05 1kr1 n ALA 127 Cb 0.49 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 19.41 1kr1 n ALA 127 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1kr1 s HIS 128 N -2.71 -0.06 0.00 0.00 -3.43 -1.26 -5.03 115.29 102.80 1kr1 s HIS 128 Ca 0.00 -0.48 0.00 0.00 -0.80 0.00 0.00 55.06 53.78 1kr1 s HIS 128 Cb 0.10 0.76 0.00 0.00 -1.43 0.00 0.00 32.58 32.01 1kr1 s HIS 128 CO 0.61 -1.35 0.00 0.41 -2.00 0.00 0.00 174.74 172.41 1kr1 n GLY 129 N -0.49 1.05 3.74 -1.38 0.00 -1.26 -4.93 105.19 101.92 1kr1 n GLY 129 Ca -0.06 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 1kr1 n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kr1 s SER 130 N -4.00 7.26 0.00 1.61 0.15 -1.26 -4.94 113.70 112.52 1kr1 s SER 130 Ca 0.00 2.10 0.21 0.00 0.70 0.00 0.00 55.95 58.96 1kr1 s SER 130 Cb 0.00 -2.60 -0.15 0.00 -1.71 0.00 0.00 66.02 61.55 1kr1 s SER 130 CO 0.00 -0.22 0.92 0.35 1.20 0.00 0.00 173.24 175.49 1kr1 n THR 131 N 2.32 0.00 -3.90 6.45 -2.24 -1.26 -4.92 114.28 110.73 1kr1 n THR 131 Ca 0.03 -0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.48 1kr1 n THR 131 Cb 0.46 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 1kr1 n THR 131 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kr1 s LEU 132 N -2.78 3.40 0.00 3.22 1.43 -1.26 -4.70 118.68 117.98 1kr1 s LEU 132 Ca 0.11 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1kr1 s LEU 132 Cb 0.16 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1kr1 s LEU 132 CO 0.74 -0.40 0.00 -1.22 0.23 0.00 0.00 176.35 175.70 1kr1 n TYR 133 N -1.31 0.00 0.20 0.29 4.01 -1.26 -4.79 117.16 114.30 1kr1 n TYR 133 Ca -0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.80 1kr1 n TYR 133 Cb 0.61 -0.60 0.41 0.00 -0.31 0.00 0.00 39.34 39.45 1kr1 n TYR 133 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 1kr1 h TRP 134 N 0.00 0.00 -0.01 -0.72 4.06 -1.88 -1.93 115.95 115.47 1kr1 h TRP 134 Ca 0.00 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.76 1kr1 h TRP 134 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1kr1 h TRP 134 CO 0.00 0.31 -0.82 0.38 -3.56 0.00 0.00 178.44 174.75 1kr1 h ASP 135 N 0.00 0.25 -0.30 -3.49 2.03 -1.88 -2.45 116.42 110.58 1kr1 h ASP 135 Ca -0.00 -0.19 -0.05 0.00 -0.73 0.00 0.00 57.03 56.05 1kr1 h ASP 135 Cb 0.78 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.19 1kr1 h ASP 135 CO 0.04 0.96 -0.02 0.44 -1.03 0.00 0.00 179.24 179.63 1kr1 h ASP 136 N 0.12 0.54 -0.69 4.15 3.32 -1.86 -1.73 116.42 120.27 1kr1 h ASP 136 Ca -0.04 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 56.73 1kr1 h ASP 136 Cb 1.42 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.78 1kr1 h ASP 136 CO 0.12 0.74 0.42 0.25 -1.72 0.00 0.00 179.24 179.06 1kr1 h LEU 137 N 0.33 0.68 -0.32 1.55 5.85 -1.33 0.08 115.31 122.15 1kr1 h LEU 137 Ca 0.08 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1kr1 h LEU 137 Cb 0.47 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1kr1 h LEU 137 CO 0.02 0.46 0.21 0.00 -0.34 0.00 0.00 178.44 178.80 1kr1 h ALA 138 N 1.31 0.41 -0.57 1.25 0.00 -1.28 -0.63 119.26 119.76 1kr1 h ALA 138 Ca 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1kr1 h ALA 138 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1kr1 h ALA 138 CO -0.13 -0.12 0.34 0.00 0.00 0.00 0.00 179.25 179.33 1kr1 h ARG 139 N 0.44 0.77 -0.53 0.00 3.08 -0.60 0.00 114.38 117.55 1kr1 h ARG 139 Ca 0.12 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1kr1 h ARG 139 Cb -0.05 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1kr1 h ARG 139 CO -0.03 0.56 -0.10 1.88 -1.07 0.00 0.00 179.97 181.21 1kr1 h TYR 140 N 0.76 1.12 -0.50 3.04 0.05 -0.77 -1.44 116.97 119.24 1kr1 h TYR 140 Ca 0.20 -0.23 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 1kr1 h TYR 140 Cb -0.01 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 1kr1 h TYR 140 CO -0.02 1.05 0.04 -0.07 -1.05 0.00 0.00 178.16 178.10 1kr1 h LEU 141 N 0.88 0.82 -1.10 3.88 3.38 -0.91 -2.92 115.31 119.34 1kr1 h LEU 141 Ca 0.14 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1kr1 h LEU 141 Cb 0.67 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1kr1 h LEU 141 CO 0.05 0.91 0.19 -1.28 0.09 0.00 0.00 178.44 178.40 1kr1 h SER 142 N 0.72 0.76 0.03 -0.43 0.87 -0.84 -2.27 113.55 112.38 1kr1 h SER 142 Ca 0.15 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1kr1 h SER 142 Cb 0.46 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1kr1 h SER 142 CO 0.02 0.71 -0.01 0.00 -0.53 0.00 0.00 176.83 177.02 1kr1 h ALA 143 N 1.40 1.39 0.00 6.23 0.00 -1.06 -1.43 119.26 125.80 1kr1 h ALA 143 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1kr1 h ALA 143 Cb 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1kr1 h ALA 143 CO -0.01 0.01 -0.00 1.88 0.00 0.00 0.00 179.25 181.12 1kr1 h TYR 144 N 0.00 0.00 0.00 0.00 0.05 -1.41 -2.99 116.97 112.62 1kr1 h TYR 144 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1kr1 h TYR 144 Cb 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1kr1 h TYR 144 CO 0.00 0.00 -0.18 0.77 -1.05 0.00 0.00 178.16 177.70 1kr1 h SER 145 N 0.00 0.00 0.35 3.88 0.02 -1.38 -2.53 113.55 113.89 1kr1 h SER 145 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kr1 h SER 145 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1kr1 h SER 145 CO 0.00 0.18 0.00 0.29 -1.14 0.00 0.00 176.83 176.16 1kr1 n LYS 146 N -3.94 0.10 0.00 3.45 5.02 -1.13 -2.13 118.16 119.53 1kr1 n LYS 146 Ca -0.02 0.46 0.14 0.00 -2.02 0.00 0.00 58.31 56.87 1kr1 n LYS 146 Cb 0.27 -1.74 0.75 0.00 -0.02 0.00 0.00 35.03 34.29 1kr1 n LYS 146 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1kr1 n GLN 147 N -1.94 0.46 0.00 1.97 6.02 -0.95 -4.91 117.38 118.02 1kr1 n GLN 147 Ca 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1kr1 n GLN 147 Cb 0.12 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1kr1 n GLN 147 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kr1 n GLY 148 N 1.17 3.57 3.48 1.08 0.00 -0.90 -5.11 105.19 108.49 1kr1 n GLY 148 Ca 0.15 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1kr1 n GLY 148 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kr1 s LYS 149 N 0.00 3.66 0.19 1.61 2.20 -1.24 -5.07 119.74 121.09 1kr1 s LYS 149 Ca 0.00 -0.52 -0.32 0.00 -0.36 0.00 0.00 55.97 54.78 1kr1 s LYS 149 Cb 0.00 -2.97 -0.11 0.00 -1.51 0.00 0.00 37.83 33.24 1kr1 s LYS 149 CO 0.00 0.17 1.68 0.21 -0.36 0.00 0.00 175.35 177.05 1kr1 s LYS 150 N 0.56 4.15 -0.50 4.03 2.20 -1.26 -4.29 119.74 124.62 1kr1 s LYS 150 Ca -0.02 2.54 -0.15 0.00 -0.36 0.00 0.00 55.97 57.98 1kr1 s LYS 150 Cb -0.14 -3.10 0.10 0.00 -1.51 0.00 0.00 37.83 33.18 1kr1 s LYS 150 CO 0.02 -0.71 0.44 0.08 -0.36 0.00 0.00 175.35 174.82 1kr1 s VAL 151 N 1.19 5.14 0.54 4.02 1.01 -1.26 -4.83 120.40 126.20 1kr1 s VAL 151 Ca 0.74 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 1kr1 s VAL 151 Cb -0.48 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 1kr1 s VAL 151 CO 0.32 -0.72 1.31 -0.31 0.00 0.00 0.00 175.10 175.69 1kr1 s TYR 152 N 1.60 2.38 -0.12 5.22 1.51 0.40 -4.81 117.35 123.54 1kr1 s TYR 152 Ca 0.04 1.42 -0.00 0.00 -1.01 0.00 0.00 57.07 57.52 1kr1 s TYR 152 Cb -0.27 -3.69 0.02 0.00 -0.11 0.00 0.00 41.96 37.91 1kr1 s TYR 152 CO 0.04 -2.60 -0.09 -0.51 -1.11 0.00 0.00 175.55 171.28 1kr1 s LEU 153 N -3.54 1.31 0.21 -1.29 1.43 -1.26 -0.92 118.68 114.63 1kr1 s LEU 153 Ca 0.71 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.54 1kr1 s LEU 153 Cb -0.37 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 1kr1 s LEU 153 CO 0.44 -0.10 -0.13 0.42 0.23 0.00 0.00 176.35 177.21 1kr1 s THR 154 N 1.64 1.71 -0.03 5.49 -4.23 -0.60 -0.17 115.64 119.44 1kr1 s THR 154 Ca 0.05 -2.20 -0.06 0.00 -1.18 0.00 0.00 61.69 58.30 1kr1 s THR 154 Cb -0.13 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.62 1kr1 s THR 154 CO -0.09 -0.55 0.15 0.00 -0.54 0.00 0.00 174.62 173.59 1kr1 s ALA 155 N -2.99 -0.36 -0.62 3.99 0.00 -0.62 -0.09 121.76 121.08 1kr1 s ALA 155 Ca 0.23 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.42 1kr1 s ALA 155 Cb -0.00 -0.08 0.25 0.00 0.00 0.00 0.00 23.12 23.29 1kr1 s ALA 155 CO 0.07 -0.14 0.74 0.00 0.00 0.00 0.00 175.76 176.43 1kr1 n ALA 156 N 2.23 3.97 -1.64 0.00 0.00 0.09 -0.87 120.51 124.30 1kr1 n ALA 156 Ca -0.18 -4.68 -0.32 0.00 0.00 0.00 0.00 53.44 48.26 1kr1 n ALA 156 Cb 0.57 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 19.15 1kr1 n ALA 156 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kr1 s PRO 157 N -2.41 3.22 0.64 0.00 0.04 -1.26 -4.71 135.00 130.52 1kr1 s PRO 157 Ca 0.40 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 62.39 1kr1 s PRO 157 Cb 0.15 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1kr1 s PRO 157 CO -0.02 -0.89 1.13 -0.65 0.04 0.00 0.00 177.00 176.62 1kr1 s GLN 158 N -4.37 2.87 0.55 4.56 -1.52 -1.26 -0.73 119.66 119.76 1kr1 s GLN 158 Ca 0.62 1.50 0.33 0.00 -1.95 0.00 0.00 55.36 55.86 1kr1 s GLN 158 Cb -0.15 -1.95 1.58 0.00 -0.22 0.00 0.00 33.01 32.26 1kr1 s GLN 158 CO 0.42 -1.22 2.08 0.00 -0.25 0.00 0.00 175.29 176.33 1kr1 s PRO 160 N -3.95 3.64 -0.08 0.00 0.02 -1.26 -4.96 135.00 128.41 1kr1 s PRO 160 Ca -0.02 1.79 -0.14 0.00 0.02 0.00 0.00 61.00 62.65 1kr1 s PRO 160 Cb 0.11 -4.13 -0.05 0.00 0.02 0.00 0.00 34.50 30.45 1kr1 s PRO 160 CO 0.54 -1.49 0.36 0.12 -0.33 0.00 0.00 177.00 176.20 1kr1 s PHE 161 N 5.92 3.60 0.54 6.54 2.19 -1.26 -3.25 117.98 132.26 1kr1 s PHE 161 Ca 0.80 0.81 -0.08 0.00 0.33 0.00 0.00 56.93 58.79 1kr1 s PHE 161 Cb -0.28 -2.32 -0.04 0.00 -1.31 0.00 0.00 43.02 39.07 1kr1 s PHE 161 CO 0.32 0.44 0.89 -1.25 1.83 0.00 0.00 175.22 177.46 1kr1 s PRO 162 N -0.29 3.57 -0.05 10.12 0.04 -1.26 -5.11 135.00 142.01 1kr1 s PRO 162 Ca 0.21 0.44 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 1kr1 s PRO 162 Cb -0.15 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1kr1 s PRO 162 CO 0.09 -0.36 1.20 0.34 0.04 0.00 0.00 177.00 178.31 1kr1 s ASP 163 N -4.14 7.05 0.53 6.66 -1.08 -1.20 -4.93 116.67 119.56 1kr1 s ASP 163 Ca 0.51 1.82 0.23 0.00 -0.52 0.00 0.00 52.55 54.58 1kr1 s ASP 163 Cb -0.11 -2.56 1.36 0.00 -1.46 0.00 0.00 42.92 40.16 1kr1 s ASP 163 CO 0.49 -0.58 2.04 -0.09 0.52 0.00 0.00 175.17 177.54 1kr1 h ARG 164 N 7.46 0.00 0.00 4.34 2.43 -1.95 0.15 114.38 126.80 1kr1 h ARG 164 Ca -0.34 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.57 1kr1 h ARG 164 Cb 1.16 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 1kr1 h ARG 164 CO 0.88 0.00 -1.97 0.66 -1.51 0.00 0.00 179.97 178.03 1kr1 n TYR 165 N -4.42 0.00 0.41 2.20 4.02 -1.26 -4.68 117.16 113.43 1kr1 n TYR 165 Ca 0.06 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.01 1kr1 n TYR 165 Cb 0.46 -0.69 0.07 0.00 -0.02 0.00 0.00 39.34 39.16 1kr1 n TYR 165 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1kr1 n LEU 166 N -2.59 2.22 -0.03 7.72 4.77 -1.20 -4.68 117.00 123.21 1kr1 n LEU 166 Ca -0.24 -1.17 -0.09 0.00 -0.03 0.00 0.00 56.01 54.48 1kr1 n LEU 166 Cb 0.94 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.96 1kr1 n LEU 166 CO 0.28 0.45 0.86 1.23 -1.33 0.00 0.00 177.39 178.88 1kr1 h GLY 167 N 2.46 0.17 1.03 -0.72 0.00 -1.23 -0.60 103.07 104.18 1kr1 h GLY 167 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 1kr1 h GLY 167 CO 0.00 -0.04 -0.05 -0.84 0.00 0.00 0.00 176.54 175.61 1kr1 h THR 168 N 0.05 1.27 -0.67 4.70 2.02 -1.83 -1.95 112.91 116.50 1kr1 h THR 168 Ca 0.09 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.07 1kr1 h THR 168 Cb 0.11 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1kr1 h THR 168 CO -0.15 0.40 0.26 0.00 0.37 0.00 0.00 175.52 176.41 1kr1 h ALA 169 N 0.92 1.20 0.00 6.16 0.00 -1.81 -2.18 119.26 123.55 1kr1 h ALA 169 Ca 0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1kr1 h ALA 169 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1kr1 h ALA 169 CO 0.04 0.58 -0.39 -0.07 0.00 0.00 0.00 179.25 179.41 1kr1 h LEU 170 N 0.97 0.00 -1.29 0.00 3.38 -0.96 -2.92 115.31 114.49 1kr1 h LEU 170 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1kr1 h LEU 170 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1kr1 h LEU 170 CO -0.02 0.39 0.00 0.78 0.09 0.00 0.00 178.44 179.68 1kr1 h ASN 171 N 0.00 0.00 0.82 -0.43 -0.26 -0.69 -2.69 115.58 112.33 1kr1 h ASN 171 Ca -0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1kr1 h ASN 171 Cb 0.96 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.21 1kr1 h ASN 171 CO 0.05 0.00 -0.14 0.71 -1.06 0.00 0.00 177.43 176.99 1kr1 h THR 172 N 0.00 0.40 -0.11 2.81 1.35 -1.44 -3.47 112.91 112.44 1kr1 h THR 172 Ca 0.00 -0.82 -0.05 0.00 -0.55 0.00 0.00 66.41 64.99 1kr1 h THR 172 Cb 0.39 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 1kr1 h THR 172 CO 0.00 0.14 -0.04 0.61 -0.25 0.00 0.00 175.52 175.97 1kr1 n GLY 173 N -0.07 0.57 0.09 5.82 0.00 -1.01 -4.91 105.19 105.68 1kr1 n GLY 173 Ca -0.00 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.64 1kr1 n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kr1 n LEU 174 N -0.27 0.64 -4.75 0.99 4.77 -1.26 -4.83 117.00 112.30 1kr1 n LEU 174 Ca -0.02 -0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.50 1kr1 n LEU 174 Cb 0.12 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1kr1 n LEU 174 CO 0.04 0.14 0.45 -0.36 -1.33 0.00 0.00 177.39 176.32 1kr1 s PHE 175 N -2.81 3.72 -0.15 -1.77 0.40 -1.26 -4.65 117.98 111.47 1kr1 s PHE 175 Ca 0.17 1.44 -0.25 0.00 -0.60 0.00 0.00 56.93 57.68 1kr1 s PHE 175 Cb 0.18 -2.80 -0.24 0.00 0.51 0.00 0.00 43.02 40.67 1kr1 s PHE 175 CO 0.62 0.27 0.60 -0.44 0.70 0.00 0.00 175.22 176.97 1kr1 h ASP 176 N 5.71 0.06 -3.68 1.36 3.32 -0.91 -2.48 116.42 119.80 1kr1 h ASP 176 Ca -0.44 -0.84 -0.49 0.00 0.02 0.00 0.00 57.03 55.27 1kr1 h ASP 176 Cb 1.20 -0.02 -0.32 0.00 0.22 0.00 0.00 39.33 40.41 1kr1 h ASP 176 CO 0.71 1.22 -0.81 -0.31 -1.72 0.00 0.00 179.24 178.33 1kr1 s TYR 177 N -2.29 1.32 -0.22 4.55 2.02 -1.18 -0.74 117.35 120.81 1kr1 s TYR 177 Ca -0.22 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 1kr1 s TYR 177 Cb 0.00 -0.94 0.06 0.00 -0.40 0.00 0.00 41.96 40.68 1kr1 s TYR 177 CO 0.68 -0.19 -0.05 0.08 -1.57 0.00 0.00 175.55 174.50 1kr1 s VAL 178 N 0.36 1.36 -0.54 0.71 1.01 -0.47 -1.58 120.40 121.25 1kr1 s VAL 178 Ca -0.08 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.74 1kr1 s VAL 178 Cb -0.12 -1.63 0.13 0.00 0.00 0.00 0.00 36.38 34.76 1kr1 s VAL 178 CO 0.02 -0.06 0.44 -1.66 0.00 0.00 0.00 175.10 173.84 1kr1 s TRP 179 N 1.48 3.41 0.23 5.22 -2.14 -0.05 -0.22 118.94 126.87 1kr1 s TRP 179 Ca -0.04 -1.77 -0.30 0.00 2.66 0.00 0.00 56.10 56.65 1kr1 s TRP 179 Cb -0.18 -3.60 -0.09 0.00 -3.10 0.00 0.00 33.47 26.50 1kr1 s TRP 179 CO -0.07 -0.99 1.26 0.08 -2.66 0.00 0.00 176.95 174.57 1kr1 s VAL 180 N 1.23 3.25 -0.62 -0.66 1.01 -1.02 -4.02 120.40 119.56 1kr1 s VAL 180 Ca 0.07 1.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.92 1kr1 s VAL 180 Cb -0.25 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.50 1kr1 s VAL 180 CO -0.01 0.19 0.91 -1.10 0.00 0.00 0.00 175.10 175.10 1kr1 s GLN 181 N -0.58 3.14 -1.01 2.72 -0.21 0.09 0.02 119.66 123.85 1kr1 s GLN 181 Ca 0.53 -0.78 -0.04 0.00 0.02 0.00 0.00 55.36 55.09 1kr1 s GLN 181 Cb -0.36 -4.19 0.15 0.00 1.00 0.00 0.00 33.01 29.61 1kr1 s GLN 181 CO 0.41 -1.69 2.38 1.19 -2.12 0.00 0.00 175.29 175.46 1kr1 n PHE 182 N 7.42 2.37 -3.69 0.91 3.72 -0.48 -1.77 117.46 125.95 1kr1 n PHE 182 Ca -0.04 -2.50 -0.09 0.00 -0.05 0.00 0.00 57.45 54.77 1kr1 n PHE 182 Cb 0.45 -1.57 -0.02 0.00 -0.94 0.00 0.00 39.48 37.40 1kr1 n PHE 182 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1kr1 s TYR 183 N -2.01 -0.27 -1.74 1.38 1.13 -1.26 -4.41 117.35 110.16 1kr1 s TYR 183 Ca 0.53 -0.07 0.00 0.00 -1.41 0.00 0.00 57.07 56.11 1kr1 s TYR 183 Cb 0.26 0.57 0.00 0.00 -1.10 0.00 0.00 41.96 41.69 1kr1 s TYR 183 CO -0.16 -1.03 0.00 0.09 -2.51 0.00 0.00 175.55 171.94 1kr1 n ASN 184 N -0.40 -5.02 -3.30 -0.18 3.02 -0.47 -4.85 115.26 104.06 1kr1 n ASN 184 Ca -0.10 0.25 -0.11 0.00 -0.03 0.00 0.00 54.58 54.60 1kr1 n ASN 184 Cb 0.62 -4.34 -0.05 0.00 -0.61 0.00 0.00 39.78 35.39 1kr1 n ASN 184 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1kr1 s ASN 185 N -2.30 0.28 0.28 6.41 0.01 -1.26 -5.04 114.94 113.32 1kr1 s ASN 185 Ca 0.00 -1.39 0.01 0.00 -0.71 0.00 0.00 52.86 50.77 1kr1 s ASN 185 Cb 0.00 1.00 0.69 0.00 0.41 0.00 0.00 41.25 43.35 1kr1 s ASN 185 CO 0.00 -0.22 1.65 -0.65 -1.51 0.00 0.00 177.10 176.36 1kr1 h PRO 186 N 6.93 0.20 0.00 -0.60 0.11 -1.93 -2.21 132.00 134.49 1kr1 h PRO 186 Ca 0.06 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1kr1 h PRO 186 Cb 1.09 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1kr1 h PRO 186 CO 0.17 0.13 -0.03 -1.00 -0.21 0.00 0.00 178.00 177.05 1kr1 h PRO 187 N 0.20 0.00 0.00 1.05 0.13 -1.98 -3.25 132.00 128.16 1kr1 h PRO 187 Ca 0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.67 1kr1 h PRO 187 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1kr1 h PRO 187 CO -0.65 0.03 -0.25 0.00 -0.23 0.00 0.00 178.00 176.91 1kr1 s GLN 189 N -1.35 2.24 0.46 0.00 -2.07 -0.97 -3.90 119.66 114.06 1kr1 s GLN 189 Ca 0.15 -1.92 -0.22 0.00 -1.82 0.00 0.00 55.36 51.55 1kr1 s GLN 189 Cb 0.13 -1.97 -0.08 0.00 -1.09 0.00 0.00 33.01 30.00 1kr1 s GLN 189 CO 0.01 -0.22 1.12 -0.47 -1.32 0.00 0.00 175.29 174.41 1kr1 s TYR 190 N -2.65 2.96 -0.01 9.60 5.04 -1.26 -4.13 117.35 126.90 1kr1 s TYR 190 Ca 0.37 1.57 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 1kr1 s TYR 190 Cb 0.02 -3.27 0.01 0.00 0.35 0.00 0.00 41.96 39.07 1kr1 s TYR 190 CO 0.21 -1.22 -0.00 0.45 -1.34 0.00 0.00 175.55 173.64 1kr1 s SER 191 N -1.53 0.18 -0.35 4.32 0.15 -0.93 -4.45 113.70 111.09 1kr1 s SER 191 Ca 0.64 -0.01 -0.31 0.00 0.70 0.00 0.00 55.95 56.96 1kr1 s SER 191 Cb -0.25 -0.06 -0.13 0.00 -1.71 0.00 0.00 66.02 63.86 1kr1 s SER 191 CO 0.30 -0.03 1.42 -1.20 1.20 0.00 0.00 173.24 174.93 1kr1 n SER 192 N 3.45 0.59 0.00 5.45 7.64 -1.26 0.14 113.62 129.62 1kr1 n SER 192 Ca -0.18 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1kr1 n SER 192 Cb 0.56 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1kr1 n SER 192 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kr1 n GLY 193 N 4.75 2.72 3.17 0.23 0.00 -1.26 -5.00 105.19 109.80 1kr1 n GLY 193 Ca 0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 1kr1 n GLY 193 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kr1 s ASN 194 N -3.37 3.31 0.00 1.61 2.47 0.36 -4.95 114.94 114.38 1kr1 s ASN 194 Ca 0.00 -0.59 0.04 0.00 0.42 0.00 0.00 52.86 52.72 1kr1 s ASN 194 Cb 0.00 -1.51 0.07 0.00 -1.45 0.00 0.00 41.25 38.36 1kr1 s ASN 194 CO 0.00 0.02 0.86 2.30 -3.72 0.00 0.00 177.10 176.56 1kr1 n ILE 195 N 4.47 0.51 -0.12 -5.21 -5.35 -1.26 -2.19 119.36 110.21 1kr1 n ILE 195 Ca -0.20 -0.75 -0.09 0.00 -0.27 0.00 0.00 62.75 61.44 1kr1 n ILE 195 Cb 0.51 0.78 -0.01 0.00 -1.74 0.00 0.00 39.64 39.18 1kr1 n ILE 195 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 1kr1 h ASN 196 N 0.71 0.45 -0.69 7.28 2.35 -1.93 -1.90 115.58 121.85 1kr1 h ASN 196 Ca 0.00 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1kr1 h ASN 196 Cb 0.37 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1kr1 h ASN 196 CO 0.00 0.38 0.17 0.78 -1.65 0.00 0.00 177.43 177.11 1kr1 h ASN 197 N 0.49 1.05 0.15 5.81 4.21 -1.85 -0.34 115.58 125.10 1kr1 h ASN 197 Ca 0.13 -0.23 -0.21 0.00 1.21 0.00 0.00 56.30 57.20 1kr1 h ASN 197 Cb 0.01 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 36.94 1kr1 h ASN 197 CO -0.02 1.01 -0.83 -0.29 -1.29 0.00 0.00 177.43 176.00 1kr1 h ILE 198 N 1.04 1.35 -0.35 2.81 2.10 -1.66 -2.17 117.51 120.63 1kr1 h ILE 198 Ca 0.22 -2.19 -0.09 0.00 1.08 0.00 0.00 64.86 63.88 1kr1 h ILE 198 Cb 0.37 2.19 -0.01 0.00 -1.09 0.00 0.00 36.82 38.28 1kr1 h ILE 198 CO 0.00 0.67 -0.11 0.40 -1.08 0.00 0.00 178.15 178.03 1kr1 h ILE 199 N 0.35 1.28 -0.56 2.19 1.08 -1.26 0.51 117.51 121.10 1kr1 h ILE 199 Ca -0.06 -1.20 -0.03 0.00 -0.39 0.00 0.00 64.86 63.18 1kr1 h ILE 199 Cb 1.45 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 36.50 1kr1 h ILE 199 CO 0.15 0.39 0.24 -1.13 -0.69 0.00 0.00 178.15 177.12 1kr1 h ASN 200 N 0.48 0.73 -0.22 1.72 -1.24 -1.07 -0.75 115.58 115.22 1kr1 h ASN 200 Ca 0.09 -0.08 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 1kr1 h ASN 200 Cb 0.63 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 1kr1 h ASN 200 CO 0.04 0.64 -0.26 -1.28 -1.29 0.00 0.00 177.43 175.28 1kr1 h SER 201 N 0.80 0.61 -0.90 1.15 0.87 -1.15 -2.86 113.55 112.07 1kr1 h SER 201 Ca 0.19 -0.49 0.02 0.00 -1.23 0.00 0.00 61.79 60.29 1kr1 h SER 201 Cb 0.13 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 1kr1 h SER 201 CO -0.02 0.98 0.59 -0.25 -0.53 0.00 0.00 176.83 177.60 1kr1 h TRP 202 N 0.26 1.10 -0.18 2.24 2.91 -0.36 -1.80 115.95 120.12 1kr1 h TRP 202 Ca 0.03 0.03 -0.07 0.00 1.13 0.00 0.00 58.89 60.00 1kr1 h TRP 202 Cb 0.82 -0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 29.09 1kr1 h TRP 202 CO 0.08 0.66 -0.22 -0.91 -1.03 0.00 0.00 178.44 177.03 1kr1 h ASN 203 N 1.16 0.31 -0.05 2.65 2.35 -1.08 -1.81 115.58 119.11 1kr1 h ASN 203 Ca 0.35 -0.09 -0.19 0.00 -0.55 0.00 0.00 56.30 55.81 1kr1 h ASN 203 Cb -0.05 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1kr1 h ASN 203 CO -0.09 0.54 -0.67 0.03 -1.65 0.00 0.00 177.43 175.59 1kr1 h ARG 204 N 0.29 0.68 -0.06 0.81 3.08 -1.12 -2.75 114.38 115.30 1kr1 h ARG 204 Ca 0.05 -0.50 -0.18 0.00 0.07 0.00 0.00 59.98 59.42 1kr1 h ARG 204 Cb 0.55 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1kr1 h ARG 204 CO 0.04 1.12 -0.73 -1.49 -1.07 0.00 0.00 179.97 177.84 1kr1 h TRP 205 N 0.49 0.47 -0.00 3.04 4.06 -1.16 -3.19 115.95 119.65 1kr1 h TRP 205 Ca -0.02 -0.21 0.00 0.00 2.06 0.00 0.00 58.89 60.72 1kr1 h TRP 205 Cb 1.26 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 1kr1 h TRP 205 CO 0.07 0.95 -0.20 0.25 -3.56 0.00 0.00 178.44 175.95 1kr1 n THR 206 N -3.82 0.00 -2.31 1.49 -2.24 -0.70 -3.91 114.28 102.78 1kr1 n THR 206 Ca -0.04 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 1kr1 n THR 206 Cb 0.70 -0.09 0.01 0.00 -2.10 0.00 0.00 70.33 68.86 1kr1 n THR 206 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1kr1 n THR 207 N -1.26 2.30 0.00 4.28 -2.24 -1.04 -4.91 114.28 111.41 1kr1 n THR 207 Ca 0.10 -4.42 0.00 0.00 -2.27 0.00 0.00 64.05 57.45 1kr1 n THR 207 Cb 0.32 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1kr1 n THR 207 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1kr1 n SER 208 N -0.56 0.00 -4.72 3.42 3.41 -1.24 -4.95 113.62 108.98 1kr1 n SER 208 Ca 0.38 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.61 1kr1 n SER 208 Cb 0.81 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.82 1kr1 n SER 208 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1kr1 n ILE 209 N -0.13 4.47 -3.55 -1.33 -5.35 -1.26 -4.98 119.36 107.24 1kr1 n ILE 209 Ca 0.00 -0.50 -0.41 0.00 -0.27 0.00 0.00 62.75 61.57 1kr1 n ILE 209 Cb 0.00 -1.49 -0.09 0.00 -1.74 0.00 0.00 39.64 36.31 1kr1 n ILE 209 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1kr1 s ASN 210 N -1.23 5.78 0.24 7.28 0.01 -1.26 -4.94 114.94 120.82 1kr1 s ASN 210 Ca 0.79 -1.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 1kr1 s ASN 210 Cb -0.40 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.18 1kr1 s ASN 210 CO 0.44 -0.55 0.11 0.00 -1.51 0.00 0.00 177.10 175.59 1kr1 s ALA 211 N 1.49 1.51 0.01 0.60 0.00 -1.26 -4.21 121.76 119.91 1kr1 s ALA 211 Ca 0.03 -1.80 -0.04 0.00 0.00 0.00 0.00 51.96 50.15 1kr1 s ALA 211 Cb -0.23 1.19 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 1kr1 s ALA 211 CO 0.04 -0.51 1.06 0.78 0.00 0.00 0.00 175.76 177.13 1kr1 h GLY 212 N 2.47 -0.18 -4.63 0.00 0.00 -0.75 -3.46 103.07 96.52 1kr1 h GLY 212 Ca -0.37 0.07 -0.21 0.00 0.00 0.00 0.00 47.33 46.82 1kr1 h GLY 212 CO 0.57 -0.07 -0.71 0.54 0.00 0.00 0.00 176.54 176.88 1kr1 s LYS 213 N -3.33 0.45 -0.10 4.80 -0.14 0.08 -4.91 119.74 116.59 1kr1 s LYS 213 Ca -0.02 -0.76 0.01 0.00 -1.36 0.00 0.00 55.97 53.83 1kr1 s LYS 213 Cb 0.00 -0.06 -0.02 0.00 -1.68 0.00 0.00 37.83 36.08 1kr1 s LYS 213 CO 0.07 -0.01 -0.12 0.42 -0.76 0.00 0.00 175.35 174.94 1kr1 s ILE 214 N -1.77 3.18 0.21 2.17 1.01 0.51 -1.37 121.20 125.15 1kr1 s ILE 214 Ca -0.10 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.00 1kr1 s ILE 214 Cb -0.08 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1kr1 s ILE 214 CO -0.01 0.55 -0.05 -0.36 0.00 0.00 0.00 174.94 175.06 1kr1 s PHE 215 N -0.06 2.67 -0.53 3.97 0.40 0.69 -0.12 117.98 125.02 1kr1 s PHE 215 Ca -0.02 -0.21 -0.19 0.00 -0.60 0.00 0.00 56.93 55.91 1kr1 s PHE 215 Cb -0.14 -1.26 0.07 0.00 0.51 0.00 0.00 43.02 42.20 1kr1 s PHE 215 CO 0.04 0.56 0.64 -1.17 0.70 0.00 0.00 175.22 175.98 1kr1 s LEU 216 N -3.15 5.08 -0.06 -0.37 2.96 -0.53 -2.45 118.68 120.17 1kr1 s LEU 216 Ca 0.28 -1.05 -0.26 0.00 -0.22 0.00 0.00 54.13 52.87 1kr1 s LEU 216 Cb -0.08 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 1kr1 s LEU 216 CO 0.17 -0.94 0.83 -0.83 -1.32 0.00 0.00 176.35 174.26 1kr1 s GLY 217 N 2.92 2.64 0.09 7.98 0.00 0.10 -1.26 107.32 119.80 1kr1 s GLY 217 Ca 0.14 0.27 -0.04 0.00 0.00 0.00 0.00 44.72 45.09 1kr1 s GLY 217 CO 0.10 1.45 0.08 1.08 0.00 0.00 0.00 173.10 175.81 1kr1 s LEU 218 N 1.10 1.91 0.20 0.66 1.43 -0.03 -1.38 118.68 122.57 1kr1 s LEU 218 Ca 0.43 -0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 1kr1 s LEU 218 Cb -0.19 0.54 -0.08 0.00 0.03 0.00 0.00 46.19 46.49 1kr1 s LEU 218 CO 0.21 -0.69 0.98 -2.84 0.23 0.00 0.00 176.35 174.24 1kr1 s PRO 219 N -3.93 4.76 0.16 1.29 0.02 -1.26 -2.13 135.00 133.90 1kr1 s PRO 219 Ca 0.11 1.54 0.23 0.00 0.02 0.00 0.00 61.00 62.90 1kr1 s PRO 219 Cb 0.07 -3.30 0.90 0.00 0.02 0.00 0.00 34.50 32.19 1kr1 s PRO 219 CO -0.07 0.35 1.71 0.00 -0.33 0.00 0.00 177.00 178.65 1kr1 n ALA 220 N 1.92 1.90 -3.63 -1.55 0.00 0.14 -4.70 120.51 114.59 1kr1 n ALA 220 Ca -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 1kr1 n ALA 220 Cb 0.47 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1kr1 n ALA 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kr1 s ALA 221 N -3.16 -1.52 0.52 0.00 0.00 -1.26 -4.53 121.76 111.80 1kr1 s ALA 221 Ca 0.08 0.25 0.20 0.00 0.00 0.00 0.00 51.96 52.48 1kr1 s ALA 221 Cb 0.11 0.76 1.32 0.00 0.00 0.00 0.00 23.12 25.30 1kr1 s ALA 221 CO 0.43 -0.89 2.09 -1.35 0.00 0.00 0.00 175.76 176.04 1kr1 h PRO 222 N 2.00 0.00 0.00 0.00 0.11 -1.91 -0.89 132.00 131.31 1kr1 h PRO 222 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1kr1 h PRO 222 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1kr1 h PRO 222 CO 0.30 0.00 -0.10 0.93 -0.21 0.00 0.00 178.00 178.92 1kr1 h GLU 223 N 0.00 0.00 0.00 1.05 3.07 -1.98 -3.31 114.58 113.41 1kr1 h GLU 223 Ca 0.10 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1kr1 h GLU 223 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1kr1 h GLU 223 CO -0.00 0.00 -0.07 0.00 -1.40 0.00 0.00 179.01 177.54 1kr1 h ALA 224 N 2.34 1.04 -2.73 3.43 0.00 -1.46 -3.45 119.26 118.42 1kr1 h ALA 224 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1kr1 h ALA 224 Cb 0.83 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 1kr1 h ALA 224 CO 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 179.25 179.15 1kr1 s ALA 225 N -3.76 -0.36 0.19 0.00 0.00 -1.25 -4.92 121.76 111.67 1kr1 s ALA 225 Ca 0.00 -0.63 0.19 0.00 0.00 0.00 0.00 51.96 51.51 1kr1 s ALA 225 Cb 0.10 0.85 0.71 0.00 0.00 0.00 0.00 23.12 24.78 1kr1 s ALA 225 CO 0.56 -0.71 1.75 0.78 0.00 0.00 0.00 175.76 178.14 1kr1 h GLY 226 N 2.41 0.00 -3.92 0.00 0.00 -1.88 -3.47 103.07 96.21 1kr1 h GLY 226 Ca -0.30 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.16 1kr1 h GLY 226 CO 0.44 0.00 0.60 -1.35 0.00 0.00 0.00 176.54 176.23 1kr1 s SER 227 N -6.47 -0.30 0.00 0.19 1.04 -1.26 -5.01 113.70 101.89 1kr1 s SER 227 Ca -0.00 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1kr1 s SER 227 Cb 0.11 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1kr1 s SER 227 CO 0.69 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 175.11 1kr1 n GLY 228 N 0.18 0.98 3.76 7.32 0.00 -1.26 -1.37 105.19 114.79 1kr1 n GLY 228 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1kr1 n GLY 228 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1kr1 n TYR 229 N -0.55 2.92 -4.07 1.61 9.36 -1.26 -4.41 117.16 120.76 1kr1 n TYR 229 Ca 0.00 0.33 -0.32 0.00 3.32 0.00 0.00 57.90 61.23 1kr1 n TYR 229 Cb 0.00 -2.57 -0.16 0.00 -0.63 0.00 0.00 39.34 35.98 1kr1 n TYR 229 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1kr1 s VAL 230 N -0.46 1.89 0.41 2.97 1.01 -1.26 -4.89 120.40 120.07 1kr1 s VAL 230 Ca 0.59 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1kr1 s VAL 230 Cb -0.49 -1.79 -0.10 0.00 0.00 0.00 0.00 36.38 34.00 1kr1 s VAL 230 CO 0.55 0.40 1.20 -2.65 0.00 0.00 0.00 175.10 174.59 1kr1 n PRO 231 N 4.65 1.77 -0.25 2.72 -0.02 -1.26 -4.74 135.00 137.87 1kr1 n PRO 231 Ca -0.18 0.63 0.04 0.00 -2.02 0.00 0.00 63.50 61.97 1kr1 n PRO 231 Cb 0.49 -2.27 0.15 0.00 -0.02 0.00 0.00 33.50 31.84 1kr1 n PRO 231 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1kr1 h PRO 232 N 1.97 0.09 -0.98 0.52 0.11 -1.99 -1.31 132.00 130.41 1kr1 h PRO 232 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1kr1 h PRO 232 Cb 1.31 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 1kr1 h PRO 232 CO 0.59 0.06 0.62 0.38 -0.21 0.00 0.00 178.00 179.44 1kr1 h ASP 233 N 0.09 1.15 -0.23 -2.05 2.03 -1.97 -0.83 116.42 114.60 1kr1 h ASP 233 Ca 0.40 -0.05 -0.03 0.00 -0.73 0.00 0.00 57.03 56.62 1kr1 h ASP 233 Cb 0.69 -0.29 -0.01 0.00 -0.83 0.00 0.00 39.33 38.89 1kr1 h ASP 233 CO -0.67 0.86 0.04 0.58 -1.03 0.00 0.00 179.24 179.02 1kr1 h VAL 234 N 1.34 1.23 -0.48 4.15 2.07 -1.62 -0.39 116.25 122.55 1kr1 h VAL 234 Ca 0.35 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1kr1 h VAL 234 Cb -0.10 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1kr1 h VAL 234 CO -0.07 0.24 0.31 0.25 0.02 0.00 0.00 177.57 178.32 1kr1 h LEU 235 N 0.19 0.56 -0.29 2.57 5.85 -1.11 0.28 115.31 123.36 1kr1 h LEU 235 Ca 0.07 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1kr1 h LEU 235 Cb 0.32 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1kr1 h LEU 235 CO 0.00 0.42 -0.04 0.40 -0.34 0.00 0.00 178.44 178.88 1kr1 h ILE 236 N 0.64 1.27 0.00 4.05 2.04 -1.04 0.20 117.51 124.67 1kr1 h ILE 236 Ca 0.17 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1kr1 h ILE 236 Cb -0.06 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1kr1 h ILE 236 CO -0.04 0.33 -1.06 -1.54 0.00 0.00 0.00 178.15 175.84 1kr1 n SER 237 N -4.53 0.60 0.00 1.72 3.41 -0.17 -4.30 113.62 110.35 1kr1 n SER 237 Ca -0.03 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1kr1 n SER 237 Cb 0.29 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1kr1 n SER 237 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kr1 n ARG 238 N -2.01 0.00 -0.08 4.33 1.74 0.07 -4.81 116.66 115.91 1kr1 n ARG 238 Ca 0.02 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.98 1kr1 n ARG 238 Cb 0.45 -0.74 -0.08 0.00 -1.02 0.00 0.00 32.46 31.07 1kr1 n ARG 238 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1kr1 h ILE 239 N 0.00 0.84 -1.00 0.55 2.04 -1.31 -3.38 117.51 115.24 1kr1 h ILE 239 Ca 0.00 -1.78 0.06 0.00 1.00 0.00 0.00 64.86 64.15 1kr1 h ILE 239 Cb 0.96 1.73 -0.07 0.00 -0.74 0.00 0.00 36.82 38.70 1kr1 h ILE 239 CO 0.00 0.28 0.65 -0.07 0.00 0.00 0.00 178.15 179.01 1kr1 h LEU 240 N -1.00 1.04 -2.25 1.44 3.38 -0.84 -1.97 115.31 115.12 1kr1 h LEU 240 Ca -0.11 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1kr1 h LEU 240 Cb 0.80 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1kr1 h LEU 240 CO -0.06 0.67 0.16 -0.65 0.09 0.00 0.00 178.44 178.64 1kr1 h PRO 241 N 1.18 0.00 0.00 1.13 0.11 -1.76 -2.23 132.00 130.43 1kr1 h PRO 241 Ca 0.43 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.40 1kr1 h PRO 241 Cb 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1kr1 h PRO 241 CO -0.17 0.00 -1.06 0.39 -0.21 0.00 0.00 178.00 176.95 1kr1 n GLU 242 N -3.88 0.52 0.27 1.05 -0.58 -0.79 -4.46 120.64 112.75 1kr1 n GLU 242 Ca 0.01 0.49 0.12 0.00 -0.42 0.00 0.00 57.16 57.36 1kr1 n GLU 242 Cb 0.27 -1.67 0.74 0.00 -0.57 0.00 0.00 31.44 30.22 1kr1 n GLU 242 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 1kr1 h ILE 243 N -1.00 0.64 0.00 -3.67 3.07 -1.43 -1.90 117.51 113.22 1kr1 h ILE 243 Ca -0.21 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.78 1kr1 h ILE 243 Cb 0.98 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 1kr1 h ILE 243 CO -0.13 0.10 0.00 0.29 -1.05 0.00 0.00 178.15 177.36 1kr1 n LYS 244 N -3.78 0.35 0.20 0.16 5.02 -0.84 -2.54 118.16 116.72 1kr1 n LYS 244 Ca -0.02 0.08 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 1kr1 n LYS 244 Cb 0.20 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.92 1kr1 n LYS 244 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1kr1 h LYS 245 N 0.00 0.00 -6.62 1.97 1.57 -1.56 -3.45 116.57 108.48 1kr1 h LYS 245 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1kr1 h LYS 245 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1kr1 h LYS 245 CO 0.00 0.19 0.54 0.45 -0.57 0.00 0.00 179.45 180.05 1kr1 s SER 246 N -6.24 7.13 0.32 0.86 0.15 -1.05 -4.92 113.70 109.95 1kr1 s SER 246 Ca 0.05 2.15 0.25 0.00 0.70 0.00 0.00 55.95 59.10 1kr1 s SER 246 Cb 0.07 -2.60 1.09 0.00 -1.71 0.00 0.00 66.02 62.87 1kr1 s SER 246 CO 0.68 -0.36 1.76 1.55 1.20 0.00 0.00 173.24 178.07 1kr1 h PRO 247 N 5.55 0.00 -0.00 5.44 0.13 -1.90 -2.16 132.00 139.06 1kr1 h PRO 247 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1kr1 h PRO 247 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1kr1 h PRO 247 CO 0.75 0.00 -0.28 1.63 -0.23 0.00 0.00 178.00 179.88 1kr1 n LYS 248 N -2.38 0.52 -1.67 0.86 5.02 -1.26 -4.91 118.16 114.34 1kr1 n LYS 248 Ca 0.01 -0.27 -0.48 0.00 -2.02 0.00 0.00 58.31 55.55 1kr1 n LYS 248 Cb 0.21 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 1kr1 n LYS 248 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1kr1 n TYR 249 N -1.00 2.24 -0.04 2.13 9.36 -0.82 -0.37 117.16 128.67 1kr1 n TYR 249 Ca 0.10 0.18 -0.01 0.00 3.32 0.00 0.00 57.90 61.49 1kr1 n TYR 249 Cb 0.33 -2.58 -0.09 0.00 -0.63 0.00 0.00 39.34 36.36 1kr1 n TYR 249 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1kr1 n GLY 250 N 3.85 -0.56 0.00 2.98 0.00 0.83 -4.76 105.19 107.54 1kr1 n GLY 250 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1kr1 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kr1 n GLY 251 N 2.09 0.40 3.17 -0.02 0.00 -1.25 -2.01 105.19 107.57 1kr1 n GLY 251 Ca -0.12 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 1kr1 n GLY 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kr1 s VAL 252 N -4.00 1.29 -0.01 1.61 1.01 -0.70 -1.45 120.40 118.15 1kr1 s VAL 252 Ca 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.03 1kr1 s VAL 252 Cb 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1kr1 s VAL 252 CO 0.00 0.11 -0.16 -0.32 0.00 0.00 0.00 175.10 174.73 1kr1 s MET 253 N -1.03 2.30 -0.02 2.72 0.00 -0.39 -0.02 119.30 122.86 1kr1 s MET 253 Ca 0.04 -0.83 0.03 0.00 0.00 0.00 0.00 55.69 54.92 1kr1 s MET 253 Cb -0.08 -2.28 -0.00 0.00 0.00 0.00 0.00 34.83 32.47 1kr1 s MET 253 CO 0.01 0.58 -0.09 -0.51 0.00 0.00 0.00 175.02 175.01 1kr1 s LEU 254 N -1.04 1.86 -0.25 4.11 1.43 0.63 -0.85 118.68 124.56 1kr1 s LEU 254 Ca 0.13 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1kr1 s LEU 254 Cb -0.11 -0.53 0.05 0.00 0.03 0.00 0.00 46.19 45.64 1kr1 s LEU 254 CO 0.03 0.08 -0.11 0.86 0.23 0.00 0.00 176.35 177.44 1kr1 s TRP 255 N 0.06 3.18 0.00 0.29 -0.11 -0.91 -2.62 118.94 118.84 1kr1 s TRP 255 Ca -0.01 -2.12 0.00 0.00 1.22 0.00 0.00 56.10 55.19 1kr1 s TRP 255 Cb -0.07 -1.96 0.00 0.00 -1.50 0.00 0.00 33.47 29.94 1kr1 s TRP 255 CO 0.00 -0.85 0.00 -1.13 -4.62 0.00 0.00 176.95 170.35 1kr1 n SER 256 N 4.50 0.00 -0.07 5.86 3.41 -1.26 -0.68 113.62 125.38 1kr1 n SER 256 Ca -0.15 -0.80 -0.08 0.00 -0.26 0.00 0.00 58.87 57.58 1kr1 n SER 256 Cb 0.44 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1kr1 n SER 256 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1kr1 h LYS 257 N 0.00 0.16 -0.44 4.33 1.63 -1.64 0.16 116.57 120.77 1kr1 h LYS 257 Ca 0.00 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1kr1 h LYS 257 Cb 0.00 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.53 1kr1 h LYS 257 CO 0.00 0.10 0.08 0.35 -3.45 0.00 0.00 179.45 176.53 1kr1 h PHE 258 N 0.16 0.13 0.00 1.91 3.57 -1.85 -1.68 116.94 119.18 1kr1 h PHE 258 Ca 0.12 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1kr1 h PHE 258 Cb 0.12 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1kr1 h PHE 258 CO -0.16 0.00 -0.04 1.88 -2.23 0.00 0.00 178.31 177.76 1kr1 h TYR 259 N 0.21 0.00 -0.30 0.41 0.05 -1.83 -3.01 116.97 112.51 1kr1 h TYR 259 Ca 0.21 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.82 1kr1 h TYR 259 Cb 0.27 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 1kr1 h TYR 259 CO -0.21 0.04 -0.48 0.22 -1.05 0.00 0.00 178.16 176.67 1kr1 h ASP 260 N 0.00 0.90 -0.21 3.88 3.58 0.03 -2.49 116.42 122.11 1kr1 h ASP 260 Ca -0.00 -0.45 -0.02 0.00 0.42 0.00 0.00 57.03 56.98 1kr1 h ASP 260 Cb 0.95 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 1kr1 h ASP 260 CO 0.00 1.23 0.04 0.44 -2.88 0.00 0.00 179.24 178.07 1kr1 h ASP 261 N 0.65 0.33 0.72 2.28 3.32 -1.24 0.60 116.42 123.07 1kr1 h ASP 261 Ca 0.03 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 1kr1 h ASP 261 Cb 1.07 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1kr1 h ASP 261 CO 0.11 0.50 -0.20 0.11 -1.72 0.00 0.00 179.24 178.04 1kr1 h LYS 262 N 0.14 0.00 0.00 3.56 1.57 -1.54 -3.18 116.57 117.12 1kr1 h LYS 262 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1kr1 h LYS 262 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1kr1 h LYS 262 CO 0.00 0.20 -1.17 -1.71 -0.57 0.00 0.00 179.45 176.20 1kr1 n ASN 263 N -3.48 1.29 -3.48 0.86 5.15 -0.94 -5.01 115.26 109.65 1kr1 n ASN 263 Ca -0.01 -0.37 -0.23 0.00 -0.60 0.00 0.00 54.58 53.37 1kr1 n ASN 263 Cb 0.37 1.34 0.07 0.00 -0.53 0.00 0.00 39.78 41.03 1kr1 n ASN 263 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kr1 n GLY 264 N 1.53 -0.52 0.33 8.20 0.00 0.21 -4.94 105.19 110.00 1kr1 n GLY 264 Ca -0.00 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 1kr1 n GLY 264 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1kr1 h TYR 265 N -2.53 -0.73 -0.20 1.61 3.20 -1.76 -2.94 116.97 113.62 1kr1 h TYR 265 Ca -0.56 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.31 1kr1 h TYR 265 Cb 1.36 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.86 1kr1 h TYR 265 CO 0.49 -0.41 0.13 0.66 -1.64 0.00 0.00 178.16 177.40 1kr1 h SER 266 N -1.12 0.20 0.40 -2.11 4.64 -1.92 -0.42 113.55 113.22 1kr1 h SER 266 Ca -0.08 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 1kr1 h SER 266 Cb 0.65 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1kr1 h SER 266 CO 0.13 0.14 -0.26 0.28 -0.87 0.00 0.00 176.83 176.26 1kr1 h SER 267 N 0.24 0.00 0.39 4.97 0.02 -1.91 0.18 113.55 117.45 1kr1 h SER 267 Ca 0.08 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.71 1kr1 h SER 267 Cb 0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1kr1 h SER 267 CO -0.02 0.26 -1.70 0.28 -1.14 0.00 0.00 176.83 174.51 1kr1 h SER 268 N 0.00 0.25 0.00 3.07 0.02 -0.94 -3.41 113.55 112.55 1kr1 h SER 268 Ca -0.00 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1kr1 h SER 268 Cb 0.53 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1kr1 h SER 268 CO 0.03 1.40 -1.60 2.30 -1.14 0.00 0.00 176.83 177.83 1kr1 n ILE 269 N -3.32 0.00 -0.18 3.27 -5.35 -0.56 -4.77 119.36 108.45 1kr1 n ILE 269 Ca -0.20 -0.34 -0.05 0.00 -0.27 0.00 0.00 62.75 61.89 1kr1 n ILE 269 Cb 1.04 0.31 -0.04 0.00 -1.74 0.00 0.00 39.64 39.21 1kr1 n ILE 269 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1kr1 n LEU 270 N -1.96 -0.45 0.29 7.28 7.94 0.64 -0.09 117.00 130.64 1kr1 n LEU 270 Ca -0.02 0.90 0.16 0.00 -1.11 0.00 0.00 56.01 55.94 1kr1 n LEU 270 Cb 0.43 -0.17 0.87 0.00 0.53 0.00 0.00 43.42 45.08 1kr1 n LEU 270 CO 0.38 -0.69 1.06 0.44 -1.11 0.00 0.00 177.39 177.47 1kr1 h ASP 271 N 0.00 0.00 1.15 1.96 3.32 -1.86 -2.06 116.42 118.93 1kr1 h ASP 271 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1kr1 h ASP 271 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1kr1 h ASP 271 CO -0.40 0.05 -0.28 -1.20 -1.72 0.00 0.00 179.24 175.70 1kr1 n SER 272 N -3.57 0.70 0.00 6.45 7.64 0.87 -5.04 113.62 120.67 1kr1 n SER 272 Ca -0.02 0.34 0.15 0.00 1.01 0.00 0.00 58.87 60.35 1kr1 n SER 272 Cb 0.16 -0.33 0.89 0.00 -1.01 0.00 0.00 64.21 63.92 1kr1 n SER 272 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55