#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr s ARG 2 N 0.00 -0.01 -0.44 0.03 0.52 -1.26 -3.54 118.95 114.24 3kcr s ARG 2 Ca 0.00 0.39 0.07 0.00 -0.52 0.00 0.00 55.73 55.68 3kcr s ARG 2 Cb 0.00 -0.33 0.30 0.00 0.52 0.00 0.00 34.95 35.44 3kcr s ARG 2 CO 0.00 -0.26 0.95 0.72 0.02 0.00 0.00 175.30 176.72 3kcr n HIS 3 N 4.90 -2.17 -3.01 -0.53 8.25 -1.26 -4.84 115.22 116.55 3kcr n HIS 3 Ca -0.13 -2.50 -0.12 0.00 -0.26 0.00 0.00 57.72 54.71 3kcr n HIS 3 Cb 0.50 1.06 0.04 0.00 1.12 0.00 0.00 29.99 32.71 3kcr n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kcr n ARG 4 N 0.69 -3.95 -3.62 -0.41 5.12 -1.26 -4.99 116.66 108.24 3kcr n ARG 4 Ca 0.12 0.42 -0.07 0.00 -1.93 0.00 0.00 57.85 56.38 3kcr n ARG 4 Cb 0.66 -4.21 -0.02 0.00 -1.16 0.00 0.00 32.46 27.74 3kcr n ARG 4 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3kcr s LYS 5 N -5.55 1.19 0.75 5.56 -2.85 -1.26 -5.20 119.74 112.39 3kcr s LYS 5 Ca 0.26 -0.56 -0.04 0.00 -1.00 0.00 0.00 55.97 54.63 3kcr s LYS 5 Cb -0.12 0.47 0.16 0.00 -2.06 0.00 0.00 37.83 36.28 3kcr s LYS 5 CO 0.37 -0.54 1.02 0.43 0.10 0.00 0.00 175.35 176.74 3kcr n SER 6 N -0.38 0.97 -2.74 0.03 7.64 -1.26 -4.47 113.62 113.41 3kcr n SER 6 Ca -0.09 -1.92 -0.05 0.00 1.01 0.00 0.00 58.87 57.83 3kcr n SER 6 Cb 0.62 -0.70 0.03 0.00 -1.01 0.00 0.00 64.21 63.14 3kcr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcr n GLY 7 N -2.49 -0.61 3.30 0.23 0.00 -1.23 -4.28 105.19 100.11 3kcr n GLY 7 Ca 0.16 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 3kcr n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcr s ARG 8 N 0.81 0.86 0.23 1.61 1.81 -1.26 -4.91 118.95 118.09 3kcr s ARG 8 Ca 0.30 -0.32 -0.03 0.00 -1.72 0.00 0.00 55.73 53.96 3kcr s ARG 8 Cb 0.08 0.38 0.24 0.00 -0.45 0.00 0.00 34.95 35.20 3kcr s ARG 8 CO -0.11 -0.28 1.65 0.37 -0.68 0.00 0.00 175.30 176.26 3kcr h GLN 9 N 3.22 0.70 0.00 3.54 4.15 -1.98 -3.50 115.11 121.25 3kcr h GLN 9 Ca -0.31 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 58.83 3kcr h GLN 9 Cb 1.19 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3kcr h GLN 9 CO 0.43 0.87 0.00 1.28 -1.93 0.00 0.00 178.83 179.48 3kcr n LEU 10 N -4.11 0.00 -0.02 -2.39 7.99 -1.26 -2.38 117.00 114.83 3kcr n LEU 10 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.88 3kcr n LEU 10 Cb 0.43 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.67 3kcr n LEU 10 CO 0.44 0.00 0.78 -1.13 -1.51 0.00 0.00 177.39 175.97 3kcr h ASN 11 N 9.30 0.12 0.00 -1.43 -0.73 -1.84 -3.47 115.58 117.54 3kcr h ASN 11 Ca 0.00 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 57.94 3kcr h ASN 11 Cb 0.00 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.56 3kcr h ASN 11 CO 0.00 0.32 0.00 -1.14 -0.37 0.00 0.00 177.43 176.24 3kcr n ARG 12 N -4.89 0.00 -0.72 6.67 0.63 -1.00 -4.95 116.66 112.39 3kcr n ARG 12 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 3kcr n ARG 12 Cb 0.15 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.06 3kcr n ARG 12 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3kcr n ASN 13 N -2.04 1.93 -1.00 6.15 4.13 -1.25 -4.94 115.26 118.24 3kcr n ASN 13 Ca 0.00 -0.37 0.11 0.00 1.68 0.00 0.00 54.58 56.01 3kcr n ASN 13 Cb 0.00 0.00 0.25 0.00 -1.54 0.00 0.00 39.78 38.49 3kcr n ASN 13 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3kcr n SER 14 N -0.40 2.99 0.00 6.41 3.41 -1.26 -3.92 113.62 120.86 3kcr n SER 14 Ca 0.00 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 3kcr n SER 14 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3kcr n SER 14 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kcr n SER 15 N 1.19 0.00 0.04 4.04 2.88 -1.26 -4.53 113.62 115.98 3kcr n SER 15 Ca 0.18 -0.55 0.12 0.00 -1.33 0.00 0.00 58.87 57.30 3kcr n SER 15 Cb 0.54 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.30 3kcr n SER 15 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 3kcr n HIS 16 N 0.00 0.36 -0.14 0.66 -0.00 -1.26 -1.23 115.22 113.61 3kcr n HIS 16 Ca 0.00 0.11 -0.03 0.00 -0.00 0.00 0.00 57.72 57.79 3kcr n HIS 16 Cb 0.14 -0.56 0.05 0.00 -0.00 0.00 0.00 29.99 29.62 3kcr n HIS 16 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 3kcr h ARG 17 N 0.00 0.18 -0.01 1.57 2.43 -1.84 -3.17 114.38 113.54 3kcr h ARG 17 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kcr h ARG 17 Cb 0.63 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3kcr h ARG 17 CO 0.00 0.12 -0.43 1.04 -1.51 0.00 0.00 179.97 179.19 3kcr n GLN 18 N -5.14 0.91 0.08 0.20 6.02 -0.83 -2.36 117.38 116.25 3kcr n GLN 18 Ca 0.04 -0.67 0.13 0.00 -0.01 0.00 0.00 57.00 56.50 3kcr n GLN 18 Cb 0.23 -1.49 0.43 0.00 1.02 0.00 0.00 30.24 30.43 3kcr n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kcr n ALA 19 N -0.46 2.36 0.29 -1.58 0.00 -0.37 -2.60 120.51 118.16 3kcr n ALA 19 Ca 0.10 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.54 3kcr n ALA 19 Cb 0.40 -1.44 0.10 0.00 0.00 0.00 0.00 19.45 18.51 3kcr n ALA 19 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3kcr n MET 20 N -2.09 1.54 -0.35 0.00 2.81 -0.99 -2.14 117.12 115.89 3kcr n MET 20 Ca 0.06 -1.59 0.08 0.00 -1.81 0.00 0.00 57.70 54.44 3kcr n MET 20 Cb 0.41 -1.28 0.25 0.00 -0.71 0.00 0.00 33.22 31.89 3kcr n MET 20 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3kcr n PHE 21 N 0.74 0.87 0.00 2.03 3.72 -1.07 -4.33 117.46 119.42 3kcr n PHE 21 Ca 0.10 -0.57 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 3kcr n PHE 21 Cb 0.38 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3kcr n PHE 21 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3kcr n ARG 22 N 0.79 1.66 -0.00 -1.08 0.63 -1.21 -4.70 116.66 112.75 3kcr n ARG 22 Ca 0.19 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.22 3kcr n ARG 22 Cb 0.63 -0.42 -0.13 0.00 0.45 0.00 0.00 32.46 33.00 3kcr n ARG 22 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3kcr n ASN 23 N -0.33 0.78 -0.01 6.15 4.13 -0.91 -4.32 115.26 120.76 3kcr n ASN 23 Ca 0.00 -0.76 0.09 0.00 1.68 0.00 0.00 54.58 55.59 3kcr n ASN 23 Cb 0.00 1.22 -0.12 0.00 -1.54 0.00 0.00 39.78 39.34 3kcr n ASN 23 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3kcr n MET 24 N -1.66 0.80 0.03 3.52 2.81 -1.26 -4.58 117.12 116.79 3kcr n MET 24 Ca 0.02 -0.11 -0.12 0.00 -1.81 0.00 0.00 57.70 55.68 3kcr n MET 24 Cb 0.37 -1.38 -0.14 0.00 -0.71 0.00 0.00 33.22 31.37 3kcr n MET 24 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kcr h ALA 25 N 1.85 0.46 0.00 3.04 0.00 -1.84 -3.20 119.26 119.57 3kcr h ALA 25 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3kcr h ALA 25 Cb 0.67 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kcr h ALA 25 CO 0.00 1.31 0.00 0.78 0.00 0.00 0.00 179.25 181.34 3kcr h GLY 26 N 2.52 0.00 1.44 0.00 0.00 -1.82 -3.29 103.07 101.92 3kcr h GLY 26 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 3kcr h GLY 26 CO 0.12 0.00 -0.83 1.76 0.00 0.00 0.00 176.54 177.60 3kcr h SER 27 N 0.00 0.00 -0.26 0.19 0.02 -1.81 0.15 113.55 111.84 3kcr h SER 27 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3kcr h SER 27 Cb 0.71 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 3kcr h SER 27 CO 0.00 0.32 -0.23 0.25 -1.14 0.00 0.00 176.83 176.03 3kcr h LEU 28 N 0.00 0.65 0.57 5.07 5.85 -1.70 -2.62 115.31 123.13 3kcr h LEU 28 Ca -0.05 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 3kcr h LEU 28 Cb 1.29 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3kcr h LEU 28 CO 0.03 0.97 -0.45 0.58 -0.34 0.00 0.00 178.44 179.24 3kcr h VAL 29 N 0.33 0.00 -1.15 1.05 2.07 -1.62 0.11 116.25 117.05 3kcr h VAL 29 Ca 0.05 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.90 3kcr h VAL 29 Cb 0.78 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3kcr h VAL 29 CO 0.06 0.00 1.02 -0.09 0.02 0.00 0.00 177.57 178.58 3kcr h ARG 30 N -0.98 0.00 0.00 1.57 2.43 -0.58 0.23 114.38 117.05 3kcr h ARG 30 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3kcr h ARG 30 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3kcr h ARG 30 CO 0.01 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.19 3kcr n HIS 31 N -3.71 0.00 -1.00 2.20 8.25 -1.00 -4.98 115.22 114.98 3kcr n HIS 31 Ca 0.25 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3kcr n HIS 31 Cb 1.39 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.50 3kcr n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3kcr n GLU 32 N -0.06 -0.23 -3.84 -0.41 4.71 0.80 -4.85 120.64 116.76 3kcr n GLU 32 Ca 0.00 0.07 -0.05 0.00 -0.01 0.00 0.00 57.16 57.16 3kcr n GLU 32 Cb 0.09 -3.25 0.01 0.00 -1.01 0.00 0.00 31.44 27.28 3kcr n GLU 32 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 3kcr s ILE 33 N -1.89 0.00 0.16 -3.67 -4.36 0.04 -4.77 121.20 106.71 3kcr s ILE 33 Ca 0.00 -0.76 -0.23 0.00 -0.26 0.00 0.00 60.65 59.41 3kcr s ILE 33 Cb 0.00 -2.72 0.07 0.00 1.25 0.00 0.00 42.46 41.06 3kcr s ILE 33 CO 0.00 0.00 0.60 -0.51 0.24 0.00 0.00 174.94 175.27 3kcr s ILE 34 N -2.46 0.00 -0.04 8.37 2.07 -1.23 -4.17 121.20 123.75 3kcr s ILE 34 Ca 0.18 -0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.42 3kcr s ILE 34 Cb -0.03 -1.04 -0.02 0.00 0.13 0.00 0.00 42.46 41.49 3kcr s ILE 34 CO 0.07 -0.01 -0.18 -0.75 -1.91 0.00 0.00 174.94 172.16 3kcr s LYS 35 N -3.76 2.36 0.28 3.50 2.20 -1.26 -3.47 119.74 119.59 3kcr s LYS 35 Ca 0.01 -0.78 -0.20 0.00 -0.36 0.00 0.00 55.97 54.64 3kcr s LYS 35 Cb -0.01 -2.26 0.05 0.00 -1.51 0.00 0.00 37.83 34.10 3kcr s LYS 35 CO -0.12 0.60 0.84 -0.08 -0.36 0.00 0.00 175.35 176.23 3kcr s THR 36 N -0.70 0.00 0.13 3.43 -1.32 -1.26 -4.97 115.64 110.95 3kcr s THR 36 Ca 0.11 -0.87 -0.31 0.00 -1.21 0.00 0.00 61.69 59.41 3kcr s THR 36 Cb -0.10 -2.47 -0.11 0.00 -1.51 0.00 0.00 72.50 68.30 3kcr s THR 36 CO 0.00 0.00 1.82 0.35 -2.21 0.00 0.00 174.62 174.58 3kcr n THR 37 N -0.53 0.32 -0.24 5.08 -2.24 -1.26 0.34 114.28 115.75 3kcr n THR 37 Ca -0.06 -0.06 0.01 0.00 -2.27 0.00 0.00 64.05 61.67 3kcr n THR 37 Cb 0.60 -2.10 0.13 0.00 -2.10 0.00 0.00 70.33 66.86 3kcr n THR 37 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kcr h LEU 38 N 8.30 0.45 0.00 3.22 5.85 -1.16 -0.46 115.31 131.51 3kcr h LEU 38 Ca -0.46 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3kcr h LEU 38 Cb 1.22 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3kcr h LEU 38 CO 0.95 0.26 0.00 -2.65 -0.34 0.00 0.00 178.44 176.66 3kcr n PRO 39 N -4.86 0.32 0.00 5.25 -0.02 -1.26 -1.28 135.00 133.15 3kcr n PRO 39 Ca 0.10 0.06 0.04 0.00 -2.02 0.00 0.00 63.50 61.68 3kcr n PRO 39 Cb 0.26 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.27 3kcr n PRO 39 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kcr n LYS 40 N -1.30 0.46 0.03 -0.52 5.02 -0.95 -4.33 118.16 116.57 3kcr n LYS 40 Ca 0.11 -0.92 -0.07 0.00 -2.02 0.00 0.00 58.31 55.41 3kcr n LYS 40 Cb 0.20 -1.14 -0.12 0.00 -0.02 0.00 0.00 35.03 33.95 3kcr n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kcr h ALA 41 N 1.57 0.53 -0.10 7.82 0.00 0.28 -3.14 119.26 126.22 3kcr h ALA 41 Ca 0.00 -1.09 -0.21 0.00 0.00 0.00 0.00 54.91 53.60 3kcr h ALA 41 Cb 0.33 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kcr h ALA 41 CO 0.00 1.34 -0.80 0.87 0.00 0.00 0.00 179.25 180.65 3kcr h LYS 42 N 0.00 0.61 -0.55 0.00 1.57 -1.73 -3.09 116.57 113.38 3kcr h LYS 42 Ca -0.11 -0.53 -0.09 0.00 -1.87 0.00 0.00 60.65 58.05 3kcr h LYS 42 Cb 1.84 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 34.24 3kcr h LYS 42 CO 0.11 1.15 -0.00 0.93 -0.57 0.00 0.00 179.45 181.06 3kcr h GLU 43 N 0.40 0.95 0.00 3.15 4.39 -1.76 -2.35 114.58 119.37 3kcr h GLU 43 Ca -0.05 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.36 3kcr h GLU 43 Cb 1.41 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3kcr h GLU 43 CO 0.15 0.94 -0.01 1.25 -1.16 0.00 0.00 179.01 180.19 3kcr h LEU 44 N 0.88 0.00 -0.28 1.33 5.85 -1.49 -0.63 115.31 120.98 3kcr h LEU 44 Ca 0.16 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.74 3kcr h LEU 44 Cb 0.52 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3kcr h LEU 44 CO 0.03 0.01 -0.39 0.03 -0.34 0.00 0.00 178.44 177.77 3kcr h ARG 45 N 0.00 0.76 0.00 1.25 3.08 -1.43 -2.78 114.38 115.26 3kcr h ARG 45 Ca -0.00 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3kcr h ARG 45 Cb 0.01 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3kcr h ARG 45 CO 0.00 1.07 0.00 0.54 -1.07 0.00 0.00 179.97 180.51 3kcr n ARG 46 N -4.17 0.14 0.00 0.04 1.74 -0.25 -3.52 116.66 110.65 3kcr n ARG 46 Ca -0.04 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3kcr n ARG 46 Cb 0.54 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 3kcr n ARG 46 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3kcr n VAL 47 N -1.36 0.00 -0.02 1.55 0.24 -1.18 -4.80 118.33 112.75 3kcr n VAL 47 Ca 0.06 -0.02 0.03 0.00 -2.04 0.00 0.00 64.34 62.37 3kcr n VAL 47 Cb 0.14 0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 32.68 3kcr n VAL 47 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3kcr n VAL 48 N -0.50 0.21 0.29 3.34 0.31 -1.05 -4.36 118.33 116.57 3kcr n VAL 48 Ca 0.00 -0.32 0.16 0.00 -0.01 0.00 0.00 64.34 64.17 3kcr n VAL 48 Cb 0.00 -0.03 0.91 0.00 -0.91 0.00 0.00 33.84 33.81 3kcr n VAL 48 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kcr h GLU 49 N 0.00 0.00 0.00 5.55 5.08 -1.77 -0.54 114.58 122.90 3kcr h GLU 49 Ca -0.08 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 3kcr h GLU 49 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3kcr h GLU 49 CO 0.00 0.04 -0.39 -1.35 -1.00 0.00 0.00 179.01 176.32 3kcr h PRO 50 N 0.00 0.00 0.00 2.33 0.11 -1.87 -3.32 132.00 129.25 3kcr h PRO 50 Ca -0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3kcr h PRO 50 Cb 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 3kcr h PRO 50 CO 0.01 0.39 -0.15 -0.07 -0.21 0.00 0.00 178.00 177.97 3kcr h LEU 51 N 0.00 0.00 -0.68 2.35 3.38 -1.33 -2.83 115.31 116.20 3kcr h LEU 51 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3kcr h LEU 51 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3kcr h LEU 51 CO 0.05 0.15 -0.36 0.40 0.09 0.00 0.00 178.44 178.76 3kcr h ILE 52 N 0.00 1.29 -0.28 1.22 2.04 -1.65 -2.28 117.51 117.85 3kcr h ILE 52 Ca -0.00 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 3kcr h ILE 52 Cb 0.92 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3kcr h ILE 52 CO 0.02 0.48 0.14 0.74 0.00 0.00 0.00 178.15 179.53 3kcr h THR 53 N 0.51 1.10 0.00 -0.27 2.02 -1.65 -1.09 112.91 113.53 3kcr h THR 53 Ca 0.05 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 3kcr h THR 53 Cb 0.86 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3kcr h THR 53 CO 0.07 0.11 -0.47 -0.07 0.37 0.00 0.00 175.52 175.53 3kcr h LEU 54 N 0.39 0.00 0.00 2.58 3.38 -1.46 -3.31 115.31 116.89 3kcr h LEU 54 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kcr h LEU 54 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kcr h LEU 54 CO -0.01 0.41 -0.27 0.00 0.09 0.00 0.00 178.44 178.66 3kcr n ALA 55 N -2.21 2.57 -0.05 1.53 0.00 -0.43 -2.99 120.51 118.92 3kcr n ALA 55 Ca 0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 3kcr n ALA 55 Cb 0.70 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 3kcr n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kcr h LYS 56 N 0.00 0.37 -7.56 0.00 1.57 -1.61 -2.34 116.57 107.00 3kcr h LYS 56 Ca 0.00 -0.21 -0.48 0.00 -1.87 0.00 0.00 60.65 58.09 3kcr h LYS 56 Cb 0.73 0.02 0.09 0.00 0.08 0.00 0.00 32.23 33.15 3kcr h LYS 56 CO 0.00 0.79 0.41 0.95 -0.57 0.00 0.00 179.45 181.02 3kcr s THR 57 N -4.18 2.55 0.00 -0.16 -4.23 -1.16 -4.56 115.64 103.91 3kcr s THR 57 Ca -0.14 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 3kcr s THR 57 Cb 0.05 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.73 3kcr s THR 57 CO 0.76 -0.24 0.00 0.47 -0.54 0.00 0.00 174.62 175.08 3kcr n ASP 58 N -3.22 0.71 -0.78 3.99 9.92 -1.26 -4.08 116.55 121.82 3kcr n ASP 58 Ca 0.08 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.42 3kcr n ASP 58 Cb 0.59 0.08 -0.02 0.00 -0.64 0.00 0.00 41.12 41.13 3kcr n ASP 58 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3kcr n SER 59 N -0.65 -4.66 0.00 -2.24 7.64 -1.26 -4.76 113.62 107.69 3kcr n SER 59 Ca 0.00 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.54 3kcr n SER 59 Cb 0.06 -1.99 0.00 0.00 -1.01 0.00 0.00 64.21 61.27 3kcr n SER 59 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3kcr n VAL 60 N -2.28 0.00 0.26 0.44 0.24 -1.26 -4.81 118.33 110.92 3kcr n VAL 60 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 3kcr n VAL 60 Cb 0.28 0.34 0.06 0.00 -1.47 0.00 0.00 33.84 33.06 3kcr n VAL 60 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kcr n ALA 61 N 0.00 2.40 -0.22 2.33 0.00 -1.26 -4.04 120.51 119.71 3kcr n ALA 61 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3kcr n ALA 61 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3kcr n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kcr n ASN 62 N 0.50 0.12 0.13 0.00 4.13 -1.26 -4.44 115.26 114.45 3kcr n ASN 62 Ca 0.07 -0.46 0.13 0.00 1.68 0.00 0.00 54.58 55.99 3kcr n ASN 62 Cb 0.28 0.23 0.43 0.00 -1.54 0.00 0.00 39.78 39.19 3kcr n ASN 62 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 3kcr h ARG 63 N 0.00 0.00 -0.33 3.52 3.08 -1.86 -1.45 114.38 117.34 3kcr h ARG 63 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kcr h ARG 63 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3kcr h ARG 63 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 3kcr n ARG 64 N -2.38 2.27 0.00 0.04 1.74 -1.26 -3.15 116.66 113.93 3kcr n ARG 64 Ca 0.04 -2.00 0.01 0.00 -0.77 0.00 0.00 57.85 55.13 3kcr n ARG 64 Cb 0.36 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3kcr n ARG 64 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kcr n LEU 65 N 0.92 0.88 -1.36 0.55 4.77 -1.10 -2.76 117.00 118.90 3kcr n LEU 65 Ca 0.14 -0.87 -0.05 0.00 -0.03 0.00 0.00 56.01 55.20 3kcr n LEU 65 Cb 0.46 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.77 3kcr n LEU 65 CO 0.11 0.20 0.83 0.00 -1.33 0.00 0.00 177.39 177.20 3kcr n ALA 66 N -0.19 4.30 0.00 -1.18 0.00 -0.57 -3.62 120.51 119.25 3kcr n ALA 66 Ca 0.01 -2.87 0.00 0.00 0.00 0.00 0.00 53.44 50.58 3kcr n ALA 66 Cb 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3kcr n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kcr n PHE 67 N -0.93 0.00 -0.21 0.00 7.35 -1.19 -4.49 117.46 118.00 3kcr n PHE 67 Ca 0.36 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.98 3kcr n PHE 67 Cb 1.15 0.00 0.03 0.00 0.35 0.00 0.00 39.48 41.01 3kcr n PHE 67 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kcr h ALA 68 N 0.00 0.75 -3.30 3.13 0.00 -1.59 -3.31 119.26 114.95 3kcr h ALA 68 Ca 0.00 -0.12 -0.64 0.00 0.00 0.00 0.00 54.91 54.15 3kcr h ALA 68 Cb 0.15 -0.23 -0.23 0.00 0.00 0.00 0.00 17.79 17.49 3kcr h ALA 68 CO 0.00 0.30 -0.69 1.03 0.00 0.00 0.00 179.25 179.90 3kcr s ARG 69 N -5.75 3.62 -0.08 0.00 1.81 -1.24 -4.93 118.95 112.38 3kcr s ARG 69 Ca -0.13 -0.55 -0.06 0.00 -1.72 0.00 0.00 55.73 53.27 3kcr s ARG 69 Cb 0.13 -2.87 0.02 0.00 -0.45 0.00 0.00 34.95 31.78 3kcr s ARG 69 CO 0.78 0.23 0.12 2.41 -0.68 0.00 0.00 175.30 178.15 3kcr n THR 70 N 3.55 -8.95 0.17 0.02 -1.04 -1.24 -4.25 114.28 102.54 3kcr n THR 70 Ca -0.18 1.74 0.05 0.00 -2.04 0.00 0.00 64.05 63.62 3kcr n THR 70 Cb 0.52 -5.22 0.21 0.00 -1.82 0.00 0.00 70.33 64.02 3kcr n THR 70 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3kcr n ARG 71 N 1.04 2.82 -3.14 -2.82 1.74 -1.25 -3.19 116.66 111.86 3kcr n ARG 71 Ca -0.20 -1.66 -0.41 0.00 -0.77 0.00 0.00 57.85 54.80 3kcr n ARG 71 Cb 0.30 -1.75 -0.07 0.00 -1.02 0.00 0.00 32.46 29.92 3kcr n ARG 71 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kcr s ASP 72 N -0.59 6.42 0.31 0.55 -0.00 -1.26 -4.94 116.67 117.16 3kcr s ASP 72 Ca 0.29 0.18 0.04 0.00 -0.00 0.00 0.00 52.55 53.06 3kcr s ASP 72 Cb 0.21 -2.32 0.63 0.00 -0.00 0.00 0.00 42.92 41.44 3kcr s ASP 72 CO 0.12 -0.55 1.86 0.78 -0.00 0.00 0.00 175.17 177.38 3kcr h ASN 73 N 8.40 0.84 -0.88 0.27 2.35 -1.92 -2.88 115.58 121.76 3kcr h ASN 73 Ca -0.27 0.04 0.22 0.00 -0.55 0.00 0.00 56.30 55.75 3kcr h ASN 73 Cb 1.11 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 39.30 3kcr h ASN 73 CO 0.82 0.46 0.60 -0.33 -1.65 0.00 0.00 177.43 177.33 3kcr h GLU 74 N 0.91 0.22 0.00 0.81 5.08 -1.95 0.37 114.58 120.02 3kcr h GLU 74 Ca 0.46 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.69 3kcr h GLU 74 Cb 0.51 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3kcr h GLU 74 CO -0.22 0.14 -1.99 -0.89 -1.00 0.00 0.00 179.01 175.05 3kcr n ILE 75 N -4.42 0.44 0.93 3.13 2.08 -1.09 -2.48 119.36 117.96 3kcr n ILE 75 Ca 0.19 -0.55 0.12 0.00 0.56 0.00 0.00 62.75 63.07 3kcr n ILE 75 Cb 0.80 -0.15 0.24 0.00 -0.75 0.00 0.00 39.64 39.78 3kcr n ILE 75 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3kcr n VAL 76 N -2.34 0.17 0.92 1.39 0.31 -0.95 -0.52 118.33 117.31 3kcr n VAL 76 Ca -0.13 -0.50 0.11 0.00 -0.01 0.00 0.00 64.34 63.81 3kcr n VAL 76 Cb 0.71 1.03 0.05 0.00 -0.91 0.00 0.00 33.84 34.71 3kcr n VAL 76 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kcr n ALA 77 N 1.04 2.93 -0.65 3.52 0.00 0.13 -4.05 120.51 123.44 3kcr n ALA 77 Ca 0.17 -0.65 0.03 0.00 0.00 0.00 0.00 53.44 52.99 3kcr n ALA 77 Cb 0.52 -0.74 0.04 0.00 0.00 0.00 0.00 19.45 19.28 3kcr n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kcr n LYS 78 N 0.64 1.77 -3.63 0.00 5.02 -0.72 -4.87 118.16 116.36 3kcr n LYS 78 Ca 0.11 -1.61 -0.13 0.00 -2.02 0.00 0.00 58.31 54.67 3kcr n LYS 78 Cb 0.50 -1.02 -0.06 0.00 -0.02 0.00 0.00 35.03 34.43 3kcr n LYS 78 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kcr s LEU 79 N -1.29 0.27 -1.08 -0.35 1.43 0.32 -3.89 118.68 114.09 3kcr s LEU 79 Ca 0.09 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3kcr s LEU 79 Cb 0.08 1.87 0.00 0.00 0.03 0.00 0.00 46.19 48.17 3kcr s LEU 79 CO 0.01 -0.72 0.00 0.49 0.23 0.00 0.00 176.35 176.36 3kcr n PHE 80 N 0.33 -0.53 0.00 0.29 3.72 -1.00 -4.26 117.46 116.01 3kcr n PHE 80 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3kcr n PHE 80 Cb 0.61 -2.72 0.00 0.00 -0.94 0.00 0.00 39.48 36.43 3kcr n PHE 80 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3kcr n ASN 81 N -0.33 0.00 -3.49 4.37 0.23 -0.92 -4.30 115.26 110.83 3kcr n ASN 81 Ca -0.15 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.81 3kcr n ASN 81 Cb 0.59 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.27 3kcr n ASN 81 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3kcr s GLU 82 N 0.00 0.96 -1.17 -3.83 2.12 -1.21 -4.84 118.70 110.74 3kcr s GLU 82 Ca 0.00 -0.36 -0.09 0.00 0.36 0.00 0.00 54.97 54.88 3kcr s GLU 82 Cb 0.00 0.44 -0.02 0.00 0.26 0.00 0.00 34.13 34.81 3kcr s GLU 82 CO 0.00 -0.42 0.81 1.28 -0.54 0.00 0.00 175.26 176.39 3kcr n LEU 83 N -0.29 -3.81 0.00 2.70 4.77 -1.25 -3.76 117.00 115.36 3kcr n LEU 83 Ca -0.11 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 3kcr n LEU 83 Cb 0.63 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.97 3kcr n LEU 83 CO 0.11 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3kcr n GLY 84 N -1.49 -1.03 0.19 -0.72 0.00 -1.26 -4.71 105.19 96.17 3kcr n GLY 84 Ca -0.16 0.34 0.06 0.00 0.00 0.00 0.00 46.02 46.27 3kcr n GLY 84 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kcr h PRO 85 N 0.00 0.00 -0.66 1.61 0.11 -1.79 -1.91 132.00 129.36 3kcr h PRO 85 Ca 0.00 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.27 3kcr h PRO 85 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3kcr h PRO 85 CO 0.00 0.35 0.45 0.00 -0.21 0.00 0.00 178.00 178.60 3kcr h ARG 86 N 0.00 0.19 0.00 1.05 2.47 -1.91 -3.30 114.38 112.88 3kcr h ARG 86 Ca -0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3kcr h ARG 86 Cb 0.90 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 3kcr h ARG 86 CO 0.05 0.13 -0.03 1.19 0.56 0.00 0.00 179.97 181.87 3kcr n PHE 87 N -4.42 0.00 0.30 3.04 3.72 -0.72 -3.77 117.46 115.61 3kcr n PHE 87 Ca 0.12 -0.85 0.03 0.00 -0.05 0.00 0.00 57.45 56.71 3kcr n PHE 87 Cb 0.59 -0.13 0.16 0.00 -0.94 0.00 0.00 39.48 39.16 3kcr n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kcr n ALA 88 N -1.18 1.47 0.08 4.37 0.00 -1.21 -3.22 120.51 120.82 3kcr n ALA 88 Ca 0.12 -0.03 0.16 0.00 0.00 0.00 0.00 53.44 53.70 3kcr n ALA 88 Cb 0.58 -1.10 0.67 0.00 0.00 0.00 0.00 19.45 19.59 3kcr n ALA 88 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kcr h SER 89 N 0.00 0.01 -5.01 0.00 0.02 -1.86 -3.41 113.55 103.30 3kcr h SER 89 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 3kcr h SER 89 Cb 0.06 -0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.41 3kcr h SER 89 CO 0.00 0.00 -0.37 0.00 -1.14 0.00 0.00 176.83 175.33 3kcr s ARG 90 N -5.04 0.63 -0.81 3.45 3.03 -1.20 -5.09 118.95 113.92 3kcr s ARG 90 Ca -0.05 -0.39 -0.17 0.00 2.03 0.00 0.00 55.73 57.15 3kcr s ARG 90 Cb 0.19 0.27 0.16 0.00 -1.03 0.00 0.00 34.95 34.54 3kcr s ARG 90 CO 0.71 -0.17 0.88 0.00 -1.13 0.00 0.00 175.30 175.58 3kcr s ALA 91 N -1.75 3.70 0.06 7.88 0.00 -1.26 -4.84 121.76 125.55 3kcr s ALA 91 Ca -0.11 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 48.94 3kcr s ALA 91 Cb -0.05 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3kcr s ALA 91 CO 0.01 -2.53 0.00 0.41 0.00 0.00 0.00 175.76 173.65 3kcr n GLY 92 N 4.78 -1.41 3.97 0.00 0.00 -1.26 -4.92 105.19 106.34 3kcr n GLY 92 Ca 0.12 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 3kcr n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 93 N -1.64 -0.26 0.45 -0.02 0.00 -1.26 -4.80 105.19 97.64 3kcr n GLY 93 Ca 0.00 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3kcr n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kcr n TYR 94 N -4.41 0.05 -3.76 1.61 4.01 -1.26 -4.80 117.16 108.60 3kcr n TYR 94 Ca -0.25 -0.03 -0.13 0.00 -0.16 0.00 0.00 57.90 57.34 3kcr n TYR 94 Cb 0.65 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.57 3kcr n TYR 94 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3kcr s THR 95 N -1.95 -0.00 0.39 -0.72 2.01 -1.26 -2.47 115.64 111.63 3kcr s THR 95 Ca 0.37 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.40 3kcr s THR 95 Cb 0.20 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 3kcr s THR 95 CO 0.32 0.01 0.58 -0.13 -0.69 0.00 0.00 174.62 174.70 3kcr s ARG 96 N 0.32 3.25 0.00 4.92 0.52 -1.07 -4.67 118.95 122.22 3kcr s ARG 96 Ca -0.01 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 3kcr s ARG 96 Cb -0.03 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.79 3kcr s ARG 96 CO -0.01 -0.03 0.00 -0.89 0.02 0.00 0.00 175.30 174.39 3kcr n ILE 97 N -1.88 0.00 -0.20 1.52 5.41 -1.26 -4.14 119.36 118.80 3kcr n ILE 97 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3kcr n ILE 97 Cb 0.57 -0.22 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 3kcr n ILE 97 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3kcr n LEU 98 N -0.14 -0.78 -3.74 1.39 4.77 -1.26 -3.85 117.00 113.38 3kcr n LEU 98 Ca 0.00 0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 3kcr n LEU 98 Cb 0.00 0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 3kcr n LEU 98 CO 0.00 -0.01 0.06 -1.59 -1.33 0.00 0.00 177.39 174.53 3kcr s LYS 99 N -5.10 0.70 0.00 3.23 0.00 -1.26 -3.69 119.74 113.63 3kcr s LYS 99 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 55.97 55.83 3kcr s LYS 99 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 37.83 38.14 3kcr s LYS 99 CO 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 175.35 175.16 3kcr n GLY 101 N 0.00 -2.35 1.27 0.00 0.00 -0.26 -4.96 105.19 98.88 3kcr n GLY 101 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3kcr n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kcr n PHE 102 N -2.32 -1.79 -5.03 1.61 3.01 -1.22 -3.92 117.46 107.80 3kcr n PHE 102 Ca -0.00 0.96 -0.30 0.00 1.01 0.00 0.00 57.45 59.11 3kcr n PHE 102 Cb 0.03 -1.60 -0.15 0.00 -0.01 0.00 0.00 39.48 37.75 3kcr n PHE 102 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3kcr s ARG 103 N -3.87 1.92 -0.11 -1.08 3.52 0.04 -4.24 118.95 115.13 3kcr s ARG 103 Ca 0.00 -1.04 0.07 0.00 -0.13 0.00 0.00 55.73 54.63 3kcr s ARG 103 Cb 0.00 -2.01 0.41 0.00 -1.56 0.00 0.00 34.95 31.79 3kcr s ARG 103 CO 0.00 0.53 1.15 0.00 -0.81 0.00 0.00 175.30 176.17 3kcr n ALA 104 N 1.99 3.12 -0.03 6.12 0.00 -1.26 -2.82 120.51 127.64 3kcr n ALA 104 Ca -0.17 -0.93 -0.15 0.00 0.00 0.00 0.00 53.44 52.19 3kcr n ALA 104 Cb 0.52 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 3kcr n ALA 104 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kcr h GLY 105 N 4.59 0.45 0.00 0.00 0.00 -1.96 -3.43 103.07 102.71 3kcr h GLY 105 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3kcr h GLY 105 CO 0.22 0.56 0.00 1.22 0.00 0.00 0.00 176.54 178.55 3kcr n ASP 106 N -4.35 0.00 -1.29 0.19 9.92 -1.26 -5.07 116.55 114.69 3kcr n ASP 106 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 3kcr n ASP 106 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 3kcr n ASP 106 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3kcr n ASN 107 N 0.00 -4.65 -3.25 -2.24 5.15 -1.25 -5.09 115.26 103.92 3kcr n ASN 107 Ca 0.00 0.59 -0.04 0.00 -0.60 0.00 0.00 54.58 54.54 3kcr n ASN 107 Cb 0.00 -2.51 -0.04 0.00 -0.53 0.00 0.00 39.78 36.70 3kcr n ASN 107 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kcr s ALA 108 N -0.20 -1.64 0.13 5.20 0.00 -1.13 -4.95 121.76 119.17 3kcr s ALA 108 Ca 0.00 0.97 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 3kcr s ALA 108 Cb 0.00 -2.06 -0.11 0.00 0.00 0.00 0.00 23.12 20.95 3kcr s ALA 108 CO 0.00 -1.52 1.84 -0.35 0.00 0.00 0.00 175.76 175.74 3kcr n PRO 109 N 5.39 2.81 -4.13 0.00 -0.04 -1.26 -0.78 135.00 136.99 3kcr n PRO 109 Ca -0.00 1.02 -0.22 0.00 -0.04 0.00 0.00 63.50 64.26 3kcr n PRO 109 Cb 0.51 -2.92 -0.05 0.00 -0.04 0.00 0.00 33.50 30.99 3kcr n PRO 109 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3kcr s MET 110 N 2.71 2.64 0.00 0.54 -1.94 -1.25 -0.93 119.30 121.06 3kcr s MET 110 Ca 0.82 -1.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.54 3kcr s MET 110 Cb -0.48 -2.38 0.00 0.00 2.01 0.00 0.00 34.83 33.98 3kcr s MET 110 CO 0.37 0.31 0.00 0.00 -0.01 0.00 0.00 175.02 175.69 3kcr n ALA 111 N -1.12 0.00 -2.73 3.03 0.00 0.15 -1.10 120.51 118.74 3kcr n ALA 111 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 3kcr n ALA 111 Cb 0.59 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.09 3kcr n ALA 111 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kcr n TYR 112 N 0.00 -2.86 -1.85 0.00 4.19 -1.24 -4.34 117.16 111.06 3kcr n TYR 112 Ca 0.00 -1.54 -0.41 0.00 3.31 0.00 0.00 57.90 59.26 3kcr n TYR 112 Cb 0.00 1.48 -0.02 0.00 0.49 0.00 0.00 39.34 41.29 3kcr n TYR 112 CO 0.00 0.00 0.00 -1.50 0.91 0.00 0.00 176.86 176.27 3kcr s ILE 113 N 0.61 2.26 -0.04 2.97 2.07 -1.23 -4.67 121.20 123.18 3kcr s ILE 113 Ca 0.31 0.21 -0.29 0.00 -1.41 0.00 0.00 60.65 59.47 3kcr s ILE 113 Cb 0.21 -3.14 0.06 0.00 0.13 0.00 0.00 42.46 39.73 3kcr s ILE 113 CO -0.21 0.03 0.63 -1.83 -1.91 0.00 0.00 174.94 171.65 3kcr s GLU 114 N -0.29 1.02 0.43 3.50 -1.05 -1.26 -3.47 118.70 117.59 3kcr s GLU 114 Ca 0.63 0.17 -0.25 0.00 -0.15 0.00 0.00 54.97 55.37 3kcr s GLU 114 Cb -0.46 0.48 -0.08 0.00 -0.44 0.00 0.00 34.13 33.63 3kcr s GLU 114 CO 0.45 -0.32 1.27 -0.51 0.95 0.00 0.00 175.26 177.10 3kcr s LEU 115 N -1.28 4.14 0.21 1.83 1.43 -1.26 -2.58 118.68 121.16 3kcr s LEU 115 Ca -0.11 2.58 -0.10 0.00 -1.03 0.00 0.00 54.13 55.47 3kcr s LEU 115 Cb -0.01 -4.01 0.27 0.00 0.03 0.00 0.00 46.19 42.47 3kcr s LEU 115 CO 0.08 -0.93 1.73 0.58 0.23 0.00 0.00 176.35 178.05 3kcr h VAL 116 N 2.23 0.74 -3.61 -1.59 2.07 -1.75 -3.18 116.25 111.16 3kcr h VAL 116 Ca -0.50 -0.12 -0.69 0.00 0.82 0.00 0.00 66.70 66.21 3kcr h VAL 116 Cb 1.25 0.35 -0.34 0.00 -1.52 0.00 0.00 31.29 31.03 3kcr h VAL 116 CO 0.62 0.06 -0.62 -1.81 0.02 0.00 0.00 177.57 175.84 3kcr s ASP 117 N -5.36 5.09 0.00 0.57 1.01 -1.26 -4.76 116.67 111.97 3kcr s ASP 117 Ca -0.13 -1.76 0.12 0.00 0.71 0.00 0.00 52.55 51.50 3kcr s ASP 117 Cb 0.17 -1.77 0.07 0.00 1.01 0.00 0.00 42.92 42.40 3kcr s ASP 117 CO 0.74 -0.42 0.84 -2.11 0.21 0.00 0.00 175.17 174.42 3kcr n ARG 118 N 4.58 1.05 -0.01 8.23 1.85 -1.20 -4.52 116.66 126.64 3kcr n ARG 118 Ca -0.06 -1.08 -0.18 0.00 -1.00 0.00 0.00 57.85 55.54 3kcr n ARG 118 Cb 0.42 -1.21 -0.14 0.00 -1.05 0.00 0.00 32.46 30.49 3kcr n ARG 118 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3kcr h SER 119 N 2.11 0.26 -0.01 2.89 4.64 -1.88 -3.50 113.55 118.04 3kcr h SER 119 Ca 0.00 -0.94 0.00 0.00 -0.47 0.00 0.00 61.79 60.38 3kcr h SER 119 Cb 0.48 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3kcr h SER 119 CO 0.00 1.27 0.00 -1.84 -0.87 0.00 0.00 176.83 175.39