#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr s ILE 2 N 0.00 2.08 0.54 2.02 -4.36 -1.25 -3.21 121.20 117.02 3kcr s ILE 2 Ca 0.00 -1.59 0.04 0.00 -0.26 0.00 0.00 60.65 58.84 3kcr s ILE 2 Cb 0.00 -1.83 0.04 0.00 1.25 0.00 0.00 42.46 41.92 3kcr s ILE 2 CO 0.00 0.14 0.75 -0.83 0.24 0.00 0.00 174.94 175.24 3kcr s GLY 3 N -1.76 1.84 0.20 6.27 0.00 -1.26 -4.41 107.32 108.20 3kcr s GLY 3 Ca 0.12 -1.54 0.11 0.00 0.00 0.00 0.00 44.72 43.41 3kcr s GLY 3 CO 0.04 -1.23 -0.23 1.08 0.00 0.00 0.00 173.10 172.76 3kcr s LEU 4 N -4.69 2.46 -0.37 0.66 1.43 -1.24 -4.78 118.68 112.15 3kcr s LEU 4 Ca 0.58 -0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 3kcr s LEU 4 Cb -0.09 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.99 3kcr s LEU 4 CO 0.38 0.10 0.47 -0.69 0.23 0.00 0.00 176.35 176.83 3kcr s VAL 5 N -1.83 5.06 0.00 -1.59 1.01 -1.26 -2.96 120.40 118.82 3kcr s VAL 5 Ca 0.22 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3kcr s VAL 5 Cb -0.07 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.35 3kcr s VAL 5 CO 0.10 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.57 3kcr n GLY 6 N 4.91 1.88 3.50 4.51 0.00 -1.17 -3.85 105.19 114.96 3kcr n GLY 6 Ca -0.06 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 3kcr n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr s LYS 7 N 3.75 0.90 0.27 1.61 1.02 -0.05 -4.18 119.74 123.06 3kcr s LYS 7 Ca 0.00 0.44 -0.19 0.00 0.02 0.00 0.00 55.97 56.24 3kcr s LYS 7 Cb 0.00 0.43 -0.09 0.00 -0.52 0.00 0.00 37.83 37.65 3kcr s LYS 7 CO 0.00 -0.22 0.76 0.21 -0.92 0.00 0.00 175.35 175.18 3kcr s LYS 8 N -0.64 4.20 -0.06 1.68 2.20 0.70 -1.07 119.74 126.74 3kcr s LYS 8 Ca -0.07 0.86 -0.00 0.00 -0.36 0.00 0.00 55.97 56.39 3kcr s LYS 8 Cb -0.02 -2.69 0.03 0.00 -1.51 0.00 0.00 37.83 33.63 3kcr s LYS 8 CO 0.06 0.29 -0.02 0.08 -0.36 0.00 0.00 175.35 175.40 3kcr s VAL 9 N -1.71 0.44 0.00 4.02 1.01 -0.68 -3.71 120.40 119.77 3kcr s VAL 9 Ca 0.48 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3kcr s VAL 9 Cb -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.70 3kcr s VAL 9 CO 0.20 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3kcr n GLY 10 N 4.70 0.68 3.34 4.51 0.00 -1.26 -1.85 105.19 115.31 3kcr n GLY 10 Ca -0.15 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 3kcr n GLY 10 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kcr s MET 11 N 0.00 0.50 0.30 1.61 1.75 -1.26 -4.60 119.30 117.61 3kcr s MET 11 Ca 0.00 0.71 -0.02 0.00 -1.25 0.00 0.00 55.69 55.13 3kcr s MET 11 Cb 0.00 0.17 -0.01 0.00 2.84 0.00 0.00 34.83 37.83 3kcr s MET 11 CO 0.00 -0.10 0.39 0.95 -0.65 0.00 0.00 175.02 175.62 3kcr s THR 12 N 0.64 0.00 0.11 10.11 -4.23 0.13 -4.96 115.64 117.44 3kcr s THR 12 Ca -0.03 -1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 3kcr s THR 12 Cb -0.05 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 3kcr s THR 12 CO -0.04 0.00 0.03 -0.13 -0.54 0.00 0.00 174.62 173.93 3kcr s ARG 13 N -3.43 0.83 -0.26 3.99 0.52 -1.26 -1.23 118.95 118.12 3kcr s ARG 13 Ca 0.32 -1.37 -0.02 0.00 -0.52 0.00 0.00 55.73 54.13 3kcr s ARG 13 Cb 0.01 0.20 0.11 0.00 0.52 0.00 0.00 34.95 35.80 3kcr s ARG 13 CO 0.18 -0.20 0.24 -1.50 0.02 0.00 0.00 175.30 174.03 3kcr s ILE 14 N -3.99 -0.31 -0.14 1.52 2.07 0.26 -4.76 121.20 115.85 3kcr s ILE 14 Ca 0.19 -0.41 -0.29 0.00 -1.41 0.00 0.00 60.65 58.72 3kcr s ILE 14 Cb 0.08 -0.87 -0.07 0.00 0.13 0.00 0.00 42.46 41.72 3kcr s ILE 14 CO -0.02 -0.43 2.13 0.49 -1.91 0.00 0.00 174.94 175.20 3kcr n PHE 15 N 5.30 2.14 -2.04 3.50 3.01 -1.26 -2.14 117.46 125.97 3kcr n PHE 15 Ca -0.04 -0.18 -0.02 0.00 1.01 0.00 0.00 57.45 58.22 3kcr n PHE 15 Cb 0.47 -2.74 0.01 0.00 -0.01 0.00 0.00 39.48 37.21 3kcr n PHE 15 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3kcr n THR 16 N 6.88 0.00 0.26 4.37 -2.24 -0.45 -4.83 114.28 118.27 3kcr n THR 16 Ca 0.27 -0.13 0.09 0.00 -2.27 0.00 0.00 64.05 62.00 3kcr n THR 16 Cb 0.41 -1.46 0.66 0.00 -2.10 0.00 0.00 70.33 67.84 3kcr n THR 16 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3kcr h GLU 17 N 0.00 0.00 -0.02 -0.78 4.11 -1.93 -0.90 114.58 115.07 3kcr h GLU 17 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3kcr h GLU 17 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3kcr h GLU 17 CO 0.03 0.00 -0.04 -0.25 0.07 0.00 0.00 179.01 178.82 3kcr n ASP 18 N -4.50 1.57 0.00 3.06 9.92 -1.26 -4.83 116.55 120.51 3kcr n ASP 18 Ca -0.03 -1.46 0.00 0.00 -0.53 0.00 0.00 54.79 52.77 3kcr n ASP 18 Cb 0.10 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 3kcr n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kcr n GLY 19 N 1.22 0.92 3.58 0.44 0.00 -0.34 -4.96 105.19 106.04 3kcr n GLY 19 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3kcr n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kcr s VAL 20 N -3.68 4.42 -0.60 1.61 1.01 -1.25 -4.22 120.40 117.70 3kcr s VAL 20 Ca 0.00 0.91 -0.20 0.00 0.00 0.00 0.00 61.98 62.69 3kcr s VAL 20 Cb 0.00 -4.46 0.10 0.00 0.00 0.00 0.00 36.38 32.01 3kcr s VAL 20 CO 0.00 -0.84 0.74 -0.44 0.00 0.00 0.00 175.10 174.56 3kcr s SER 21 N 2.27 6.18 -0.04 3.32 0.01 -1.26 -1.34 113.70 122.84 3kcr s SER 21 Ca 0.40 -1.34 -0.16 0.00 1.31 0.00 0.00 55.95 56.17 3kcr s SER 21 Cb -0.10 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 3kcr s SER 21 CO 0.27 -1.16 0.42 0.27 0.41 0.00 0.00 173.24 173.45 3kcr s ILE 22 N 2.91 5.09 0.16 1.44 -4.36 -0.91 -4.60 121.20 120.94 3kcr s ILE 22 Ca 0.13 0.85 -0.34 0.00 -0.26 0.00 0.00 60.65 61.04 3kcr s ILE 22 Cb -0.23 -3.74 -0.14 0.00 1.25 0.00 0.00 42.46 39.60 3kcr s ILE 22 CO 0.07 0.49 1.47 -2.65 0.24 0.00 0.00 174.94 174.57 3kcr n PRO 23 N 2.48 1.87 -4.27 0.37 -0.02 -1.26 -0.58 135.00 133.59 3kcr n PRO 23 Ca -0.12 0.67 -0.15 0.00 -2.02 0.00 0.00 63.50 61.89 3kcr n PRO 23 Cb 0.52 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 3kcr n PRO 23 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kcr s VAL 24 N 0.56 0.47 -0.12 -1.45 -7.23 -0.36 -3.18 120.40 109.10 3kcr s VAL 24 Ca 0.77 -1.99 -0.05 0.00 -1.81 0.00 0.00 61.98 58.90 3kcr s VAL 24 Cb -0.74 -2.44 0.05 0.00 0.56 0.00 0.00 36.38 33.82 3kcr s VAL 24 CO 0.43 -0.16 0.26 -0.89 -0.31 0.00 0.00 175.10 174.43 3kcr s THR 25 N -3.81 -0.14 -0.78 5.32 2.01 -0.95 0.22 115.64 117.51 3kcr s THR 25 Ca 0.33 0.18 -0.17 0.00 0.31 0.00 0.00 61.69 62.34 3kcr s THR 25 Cb 0.07 -0.41 0.16 0.00 0.01 0.00 0.00 72.50 72.32 3kcr s THR 25 CO 0.10 0.07 0.85 -0.69 -0.69 0.00 0.00 174.62 174.27 3kcr s VAL 26 N 1.59 5.09 0.09 3.82 1.01 -0.77 -1.89 120.40 129.34 3kcr s VAL 26 Ca -0.06 -1.73 -0.25 0.00 0.00 0.00 0.00 61.98 59.94 3kcr s VAL 26 Cb -0.11 -4.57 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 3kcr s VAL 26 CO -0.09 -1.20 0.75 -0.63 0.00 0.00 0.00 175.10 173.93 3kcr s ILE 27 N 1.73 4.59 -0.21 2.22 1.01 0.40 -1.68 121.20 129.26 3kcr s ILE 27 Ca 0.20 1.62 0.02 0.00 0.00 0.00 0.00 60.65 62.48 3kcr s ILE 27 Cb -0.13 -4.10 0.04 0.00 0.01 0.00 0.00 42.46 38.27 3kcr s ILE 27 CO -0.04 0.45 -0.14 -0.70 0.00 0.00 0.00 174.94 174.50 3kcr s GLU 28 N -0.58 2.47 0.07 2.79 2.56 -0.23 -2.09 118.70 123.68 3kcr s GLU 28 Ca 0.36 -0.97 -0.31 0.00 0.00 0.00 0.00 54.97 54.06 3kcr s GLU 28 Cb -0.21 -2.60 -0.08 0.00 2.00 0.00 0.00 34.13 33.24 3kcr s GLU 28 CO 0.24 -0.38 1.65 0.08 -0.56 0.00 0.00 175.26 176.29 3kcr s VAL 29 N 1.27 3.02 -0.04 3.70 1.01 -1.23 -0.87 120.40 127.26 3kcr s VAL 29 Ca -0.01 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 3kcr s VAL 29 Cb -0.16 -3.31 -0.11 0.00 0.00 0.00 0.00 36.38 32.80 3kcr s VAL 29 CO -0.09 -0.00 0.75 -0.08 0.00 0.00 0.00 175.10 175.68 3kcr h GLU 30 N 8.27 -0.41 0.00 2.72 4.81 -1.78 -3.47 114.58 124.72 3kcr h GLU 30 Ca -0.43 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 3kcr h GLU 30 Cb 1.20 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3kcr h GLU 30 CO 0.93 -0.13 0.00 0.00 -0.73 0.00 0.00 179.01 179.08 3kcr n ALA 31 N -2.66 0.00 -3.44 2.92 0.00 -1.26 -4.97 120.51 111.10 3kcr n ALA 31 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.10 3kcr n ALA 31 Cb 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 3kcr n ALA 31 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kcr n ASN 32 N 0.00 0.22 -4.67 0.00 5.03 -1.26 -4.39 115.26 110.19 3kcr n ASN 32 Ca 0.00 -2.57 -0.39 0.00 0.87 0.00 0.00 54.58 52.49 3kcr n ASN 32 Cb 0.00 -0.60 -0.06 0.00 -1.02 0.00 0.00 39.78 38.10 3kcr n ASN 32 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3kcr s ARG 33 N -0.41 4.21 0.41 3.52 0.52 -0.46 -2.83 118.95 123.92 3kcr s ARG 33 Ca 0.32 0.49 -0.27 0.00 -0.52 0.00 0.00 55.73 55.75 3kcr s ARG 33 Cb 0.05 -3.55 -0.10 0.00 0.52 0.00 0.00 34.95 31.87 3kcr s ARG 33 CO -0.18 -0.15 1.46 0.08 0.02 0.00 0.00 175.30 176.53 3kcr s VAL 34 N 1.61 2.08 0.00 3.52 1.01 -1.26 -0.42 120.40 126.94 3kcr s VAL 34 Ca 0.26 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3kcr s VAL 34 Cb -0.16 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3kcr s VAL 34 CO 0.10 0.01 0.00 0.41 0.00 0.00 0.00 175.10 175.63 3kcr n THR 35 N 0.20 0.00 -3.60 3.92 -1.04 -0.81 -1.16 114.28 111.78 3kcr n THR 35 Ca 0.03 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.93 3kcr n THR 35 Cb 0.40 0.04 -0.04 0.00 -1.82 0.00 0.00 70.33 68.91 3kcr n THR 35 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3kcr s GLN 36 N -0.97 1.09 -0.01 -2.82 -0.21 -1.24 -4.59 119.66 110.90 3kcr s GLN 36 Ca 0.00 -0.67 -0.02 0.00 0.02 0.00 0.00 55.36 54.69 3kcr s GLN 36 Cb 0.00 0.48 0.00 0.00 1.00 0.00 0.00 33.01 34.50 3kcr s GLN 36 CO 0.00 -0.43 0.04 0.08 -2.12 0.00 0.00 175.29 172.86 3kcr s VAL 37 N -3.78 0.01 0.15 1.09 1.01 -1.26 -1.35 120.40 116.27 3kcr s VAL 37 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 3kcr s VAL 37 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 3kcr s VAL 37 CO -0.12 -0.05 0.04 -0.54 0.00 0.00 0.00 175.10 174.43 3kcr s LYS 38 N -0.13 1.00 0.29 2.72 3.01 -0.86 -4.97 119.74 120.79 3kcr s LYS 38 Ca -0.02 -1.48 -0.05 0.00 -1.01 0.00 0.00 55.97 53.41 3kcr s LYS 38 Cb -0.01 0.07 0.02 0.00 -1.01 0.00 0.00 37.83 36.90 3kcr s LYS 38 CO 0.00 -0.22 0.47 -3.47 0.51 0.00 0.00 175.35 172.64 3kcr n ASP 39 N -0.15 -1.35 -4.77 2.83 2.03 -1.26 -1.12 116.55 112.76 3kcr n ASP 39 Ca -0.05 -2.40 -0.41 0.00 0.52 0.00 0.00 54.79 52.45 3kcr n ASP 39 Cb 0.64 2.38 -0.01 0.00 -0.72 0.00 0.00 41.12 43.41 3kcr n ASP 39 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kcr s LEU 40 N 0.00 4.35 -0.14 -2.67 1.43 -0.05 -1.73 118.68 119.87 3kcr s LEU 40 Ca 0.19 2.94 0.00 0.00 -1.03 0.00 0.00 54.13 56.23 3kcr s LEU 40 Cb -0.02 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.54 3kcr s LEU 40 CO 0.14 -0.80 0.00 0.00 0.23 0.00 0.00 176.35 175.92 3kcr n ALA 41 N 0.87 -0.03 -2.71 4.21 0.00 -1.26 -4.87 120.51 116.72 3kcr n ALA 41 Ca 0.02 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 3kcr n ALA 41 Cb 0.40 -0.61 0.10 0.00 0.00 0.00 0.00 19.45 19.33 3kcr n ALA 41 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kcr n ASN 42 N 1.75 -1.98 -1.12 0.00 5.15 -0.70 -5.10 115.26 113.26 3kcr n ASN 42 Ca -0.02 -3.05 0.15 0.00 -0.60 0.00 0.00 54.58 51.06 3kcr n ASN 42 Cb 0.20 1.62 -0.04 0.00 -0.53 0.00 0.00 39.78 41.02 3kcr n ASN 42 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3kcr n ASP 43 N 0.26 -6.68 0.00 1.20 4.64 -1.25 -4.04 116.55 110.69 3kcr n ASP 43 Ca 0.01 0.58 0.13 0.00 -1.38 0.00 0.00 54.79 54.14 3kcr n ASP 43 Cb 0.73 -3.48 0.69 0.00 -1.04 0.00 0.00 41.12 38.01 3kcr n ASP 43 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kcr n GLY 44 N -3.67 -1.18 3.12 0.27 0.00 -1.26 -3.70 105.19 98.77 3kcr n GLY 44 Ca -0.01 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3kcr n GLY 44 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kcr n TYR 45 N -1.28 -4.14 -2.69 1.61 4.01 -1.26 -4.76 117.16 108.64 3kcr n TYR 45 Ca 0.13 0.04 -0.04 0.00 -0.16 0.00 0.00 57.90 57.87 3kcr n TYR 45 Cb 0.22 -1.53 0.04 0.00 -0.31 0.00 0.00 39.34 37.76 3kcr n TYR 45 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3kcr n ARG 46 N 1.30 0.24 -3.83 -0.72 0.63 -1.24 -0.87 116.66 112.17 3kcr n ARG 46 Ca 0.01 -1.04 -0.07 0.00 -0.92 0.00 0.00 57.85 55.83 3kcr n ARG 46 Cb 0.55 -0.37 -0.00 0.00 0.45 0.00 0.00 32.46 33.10 3kcr n ARG 46 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kcr s ALA 47 N 0.69 -1.14 0.15 5.13 0.00 -0.28 0.30 121.76 126.62 3kcr s ALA 47 Ca 0.26 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 3kcr s ALA 47 Cb 0.14 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 3kcr s ALA 47 CO -0.11 -1.02 0.06 0.96 0.00 0.00 0.00 175.76 175.65 3kcr s ILE 48 N -3.13 0.19 0.28 0.00 -4.36 -0.16 -2.04 121.20 111.98 3kcr s ILE 48 Ca 0.14 -1.94 0.04 0.00 -0.26 0.00 0.00 60.65 58.63 3kcr s ILE 48 Cb -0.05 -2.16 -0.06 0.00 1.25 0.00 0.00 42.46 41.44 3kcr s ILE 48 CO 0.08 -0.37 0.01 -1.10 0.24 0.00 0.00 174.94 173.81 3kcr s GLN 49 N -4.05 1.52 0.31 0.37 -1.52 -0.45 -0.59 119.66 115.24 3kcr s GLN 49 Ca 0.27 -1.80 0.06 0.00 -1.95 0.00 0.00 55.36 51.94 3kcr s GLN 49 Cb 0.07 -0.82 -0.02 0.00 -0.22 0.00 0.00 33.01 32.02 3kcr s GLN 49 CO 0.04 -0.11 0.21 1.33 -0.25 0.00 0.00 175.29 176.51 3kcr n VAL 50 N -0.57 0.00 -3.80 1.09 0.24 -1.16 -3.45 118.33 110.68 3kcr n VAL 50 Ca -0.04 -2.10 -0.13 0.00 -2.04 0.00 0.00 64.34 60.04 3kcr n VAL 50 Cb 0.65 0.97 -0.13 0.00 -1.47 0.00 0.00 33.84 33.85 3kcr n VAL 50 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3kcr s THR 51 N -3.09 -0.02 -0.24 3.34 -4.23 0.44 -3.88 115.64 107.95 3kcr s THR 51 Ca 0.30 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 3kcr s THR 51 Cb 0.01 -0.22 0.09 0.00 1.34 0.00 0.00 72.50 73.73 3kcr s THR 51 CO 0.21 0.03 0.55 -0.89 -0.54 0.00 0.00 174.62 173.98 3kcr s THR 52 N 0.48 -0.42 0.00 3.99 2.01 -1.26 -1.35 115.64 119.09 3kcr s THR 52 Ca -0.03 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3kcr s THR 52 Cb -0.05 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.63 3kcr s THR 52 CO -0.02 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 3kcr n GLY 53 N 4.85 3.22 3.26 4.40 0.00 -1.26 -3.99 105.19 115.67 3kcr n GLY 53 Ca -0.16 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 3kcr n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr s ALA 54 N -2.85 0.63 0.38 4.61 0.00 -0.97 -2.16 121.76 121.39 3kcr s ALA 54 Ca 0.00 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 50.66 3kcr s ALA 54 Cb 0.00 1.05 -0.03 0.00 0.00 0.00 0.00 23.12 24.14 3kcr s ALA 54 CO 0.00 -0.60 0.13 0.15 0.00 0.00 0.00 175.76 175.44 3kcr s LYS 55 N -4.06 1.84 0.00 0.00 -0.14 -1.22 -4.83 119.74 111.34 3kcr s LYS 55 Ca 0.27 -2.10 0.21 0.00 -1.36 0.00 0.00 55.97 52.99 3kcr s LYS 55 Cb 0.05 -0.54 0.68 0.00 -1.68 0.00 0.00 37.83 36.34 3kcr s LYS 55 CO 0.05 -0.45 1.51 0.36 -0.76 0.00 0.00 175.35 176.07 3kcr n LYS 56 N -0.83 1.90 -3.38 1.68 0.00 -1.26 -4.93 118.16 111.33 3kcr n LYS 56 Ca -0.04 -1.34 -0.19 0.00 -0.00 0.00 0.00 58.31 56.73 3kcr n LYS 56 Cb 0.65 -1.42 0.07 0.00 -0.00 0.00 0.00 35.03 34.32 3kcr n LYS 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kcr n ALA 57 N 0.57 -1.08 -0.37 0.58 0.00 -1.26 -4.85 120.51 114.10 3kcr n ALA 57 Ca 0.17 0.32 0.09 0.00 0.00 0.00 0.00 53.44 54.02 3kcr n ALA 57 Cb 0.39 -4.49 0.33 0.00 0.00 0.00 0.00 19.45 15.68 3kcr n ALA 57 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kcr n ASN 58 N -2.18 4.24 -0.83 0.00 5.15 -1.26 -4.41 115.26 115.98 3kcr n ASN 58 Ca -0.00 -2.29 -0.02 0.00 -0.60 0.00 0.00 54.58 51.67 3kcr n ASN 58 Cb 0.55 -0.53 -0.03 0.00 -0.53 0.00 0.00 39.78 39.25 3kcr n ASN 58 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kcr n ARG 59 N 1.20 0.00 -4.98 1.20 5.12 -1.26 -5.09 116.66 112.85 3kcr n ARG 59 Ca 0.24 -0.77 -0.27 0.00 -1.93 0.00 0.00 57.85 55.12 3kcr n ARG 59 Cb 0.76 0.15 -0.15 0.00 -1.16 0.00 0.00 32.46 32.06 3kcr n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3kcr s VAL 60 N 0.00 1.65 0.36 1.55 1.01 -1.26 -5.06 120.40 118.65 3kcr s VAL 60 Ca 0.04 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.17 3kcr s VAL 60 Cb 0.05 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3kcr s VAL 60 CO -0.02 0.43 0.18 0.42 0.00 0.00 0.00 175.10 176.11 3kcr s THR 61 N -0.53 2.92 0.25 3.92 -4.23 -1.26 -5.03 115.64 111.68 3kcr s THR 61 Ca 0.08 -1.64 -0.02 0.00 -1.18 0.00 0.00 61.69 58.93 3kcr s THR 61 Cb -0.08 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.87 3kcr s THR 61 CO -0.00 -0.14 1.74 0.50 -0.54 0.00 0.00 174.62 176.18 3kcr h LYS 62 N 1.46 0.78 0.00 3.99 1.63 -2.01 -1.29 116.57 121.13 3kcr h LYS 62 Ca -0.43 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.14 3kcr h LYS 62 Cb 1.25 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 3kcr h LYS 62 CO 0.63 0.81 -0.07 -1.35 -3.45 0.00 0.00 179.45 176.03 3kcr h PRO 63 N 0.72 0.00 0.00 1.90 0.11 -2.02 -0.64 132.00 132.07 3kcr h PRO 63 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3kcr h PRO 63 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3kcr h PRO 63 CO 0.02 0.00 -0.36 0.93 -0.21 0.00 0.00 178.00 178.38 3kcr h GLU 64 N 0.00 0.00 -0.07 1.05 4.39 -1.97 -3.38 114.58 114.59 3kcr h GLU 64 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kcr h GLU 64 Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3kcr h GLU 64 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 3kcr n ALA 65 N -1.88 2.45 0.46 3.43 0.00 -0.25 -3.31 120.51 121.42 3kcr n ALA 65 Ca 0.04 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.89 3kcr n ALA 65 Cb 0.46 -0.72 0.23 0.00 0.00 0.00 0.00 19.45 19.42 3kcr n ALA 65 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kcr h GLY 66 N 4.09 0.00 1.56 0.00 0.00 -1.73 -2.99 103.07 104.00 3kcr h GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kcr h GLY 66 CO 0.00 0.00 -0.36 0.45 0.00 0.00 0.00 176.54 176.63 3kcr h HIS 67 N 0.00 0.00 -0.77 5.60 3.86 -1.81 -3.09 115.15 118.93 3kcr h HIS 67 Ca 0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 3kcr h HIS 67 Cb 0.83 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.15 3kcr h HIS 67 CO 0.00 0.00 0.31 1.19 0.86 0.00 0.00 177.93 180.29 3kcr n PHE 68 N -2.40 2.55 -2.03 2.45 0.99 -1.13 -3.48 117.46 114.42 3kcr n PHE 68 Ca 0.04 -1.26 0.00 0.00 -0.00 0.00 0.00 57.45 56.23 3kcr n PHE 68 Cb 0.47 -0.72 0.00 0.00 -1.00 0.00 0.00 39.48 38.23 3kcr n PHE 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kcr n ALA 69 N -0.22 2.03 -1.79 4.37 0.00 -1.17 -4.61 120.51 119.12 3kcr n ALA 69 Ca 0.43 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3kcr n ALA 69 Cb 1.43 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.39 3kcr n ALA 69 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3kcr n LYS 70 N 0.03 0.00 -3.61 0.00 2.85 -1.25 -5.01 118.16 111.18 3kcr n LYS 70 Ca 0.00 -0.06 -0.08 0.00 -1.05 0.00 0.00 58.31 57.13 3kcr n LYS 70 Cb 0.72 -0.10 -0.02 0.00 -0.65 0.00 0.00 35.03 34.98 3kcr n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kcr s ALA 71 N 0.00 -1.58 0.49 0.58 0.00 -1.23 -4.74 121.76 115.29 3kcr s ALA 71 Ca 0.00 0.36 -0.22 0.00 0.00 0.00 0.00 51.96 52.09 3kcr s ALA 71 Cb 0.00 0.71 -0.08 0.00 0.00 0.00 0.00 23.12 23.75 3kcr s ALA 71 CO 0.00 -0.87 1.12 0.41 0.00 0.00 0.00 175.76 176.42 3kcr n GLY 72 N -0.38 0.11 0.00 0.00 0.00 -1.26 -4.54 105.19 99.12 3kcr n GLY 72 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3kcr n GLY 72 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kcr n VAL 73 N -0.85 0.00 -0.83 1.61 0.24 -1.26 -4.13 118.33 113.10 3kcr n VAL 73 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 3kcr n VAL 73 Cb 0.42 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 3kcr n VAL 73 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3kcr n GLU 74 N 0.00 0.02 -3.08 7.34 2.13 -1.26 -4.64 120.64 121.14 3kcr n GLU 74 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3kcr n GLU 74 Cb 0.00 -0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.76 3kcr n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kcr n ALA 75 N 0.00 -0.83 -1.01 4.31 0.00 -1.25 -3.88 120.51 117.85 3kcr n ALA 75 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.62 3kcr n ALA 75 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 19.45 16.35 3kcr n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 76 N -1.33 -2.15 0.00 0.00 0.00 -0.92 -2.29 105.19 98.50 3kcr n GLY 76 Ca -0.03 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3kcr n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kcr n ARG 77 N -1.53 1.27 -4.34 1.61 0.63 -1.26 -4.87 116.66 108.18 3kcr n ARG 77 Ca 0.01 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.70 3kcr n ARG 77 Cb 0.03 -0.60 -0.08 0.00 0.45 0.00 0.00 32.46 32.25 3kcr n ARG 77 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3kcr s GLY 78 N -1.30 1.72 0.35 5.14 0.00 -1.26 -5.14 107.32 106.83 3kcr s GLY 78 Ca 0.00 -1.69 0.09 0.00 0.00 0.00 0.00 44.72 43.12 3kcr s GLY 78 CO 0.00 -1.75 0.07 1.08 0.00 0.00 0.00 173.10 172.49 3kcr s LEU 79 N -3.53 3.07 -0.15 0.66 1.02 -1.26 -4.56 118.68 113.93 3kcr s LEU 79 Ca 0.30 -0.95 -0.01 0.00 0.02 0.00 0.00 54.13 53.50 3kcr s LEU 79 Cb -0.06 -1.46 0.04 0.00 0.02 0.00 0.00 46.19 44.73 3kcr s LEU 79 CO 0.18 -0.29 -0.04 0.26 0.02 0.00 0.00 176.35 176.48 3kcr s TRP 80 N -2.51 1.45 0.39 0.29 0.51 -1.25 -4.94 118.94 112.89 3kcr s TRP 80 Ca 0.36 -0.87 -0.26 0.00 -2.12 0.00 0.00 56.10 53.22 3kcr s TRP 80 Cb -0.00 -1.20 -0.09 0.00 -0.81 0.00 0.00 33.47 31.37 3kcr s TRP 80 CO 0.21 -0.56 1.19 -2.00 -0.51 0.00 0.00 176.95 175.28 3kcr s GLU 81 N 1.72 4.07 -0.13 4.98 2.12 -1.26 -3.01 118.70 127.19 3kcr s GLU 81 Ca 0.02 1.90 -0.03 0.00 0.36 0.00 0.00 54.97 57.22 3kcr s GLU 81 Cb -0.14 -2.72 0.05 0.00 0.26 0.00 0.00 34.13 31.57 3kcr s GLU 81 CO -0.07 -0.32 0.05 -0.06 -0.54 0.00 0.00 175.26 174.31 3kcr s PHE 82 N -1.37 0.54 0.82 5.30 0.08 0.25 -4.92 117.98 118.68 3kcr s PHE 82 Ca 0.56 -0.33 -0.12 0.00 0.12 0.00 0.00 56.93 57.16 3kcr s PHE 82 Cb -0.32 -0.78 0.09 0.00 -0.57 0.00 0.00 43.02 41.44 3kcr s PHE 82 CO 0.41 -0.43 1.17 1.03 -0.10 0.00 0.00 175.22 177.29 3kcr s ARG 83 N 2.02 1.85 0.30 0.44 1.81 -1.20 -0.99 118.95 123.18 3kcr s ARG 83 Ca 0.02 0.16 -0.06 0.00 -1.72 0.00 0.00 55.73 54.14 3kcr s ARG 83 Cb -0.15 -1.93 -0.00 0.00 -0.45 0.00 0.00 34.95 32.42 3kcr s ARG 83 CO -0.07 -1.69 0.45 -0.51 -0.68 0.00 0.00 175.30 172.81 3kcr s LEU 84 N -5.66 0.79 0.00 2.53 1.02 0.15 -3.93 118.68 113.58 3kcr s LEU 84 Ca 0.62 -1.30 0.00 0.00 0.02 0.00 0.00 54.13 53.47 3kcr s LEU 84 Cb -0.12 1.50 0.00 0.00 0.02 0.00 0.00 46.19 47.59 3kcr s LEU 84 CO 0.50 -1.22 0.00 0.00 0.02 0.00 0.00 176.35 175.65 3kcr n ALA 85 N -0.48 0.00 -3.60 4.21 0.00 -1.26 -4.64 120.51 114.74 3kcr n ALA 85 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 3kcr n ALA 85 Cb 0.62 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.96 3kcr n ALA 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3kcr s GLU 86 N 0.00 0.35 0.32 0.00 -6.30 -1.26 -5.12 118.70 106.69 3kcr s GLU 86 Ca 0.00 0.66 0.00 0.00 -2.50 0.00 0.00 54.97 53.13 3kcr s GLU 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34.13 34.13 3kcr s GLU 86 CO 0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.55 3kcr n GLY 87 N 3.95 -1.89 0.00 -1.50 0.00 -1.26 -5.04 105.19 99.45 3kcr n GLY 87 Ca -0.22 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3kcr n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kcr n GLU 88 N -4.08 0.00 -3.77 1.61 -0.58 -1.26 -4.75 120.64 107.80 3kcr n GLU 88 Ca 0.01 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.62 3kcr n GLU 88 Cb 0.62 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.38 3kcr n GLU 88 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3kcr s GLU 89 N 0.32 0.32 0.67 3.49 0.41 -1.26 -5.11 118.70 117.55 3kcr s GLU 89 Ca 0.00 0.40 -0.17 0.00 -0.41 0.00 0.00 54.97 54.78 3kcr s GLU 89 Cb 0.00 0.15 0.00 0.00 -1.78 0.00 0.00 34.13 32.50 3kcr s GLU 89 CO 0.00 -0.04 1.24 1.97 -0.49 0.00 0.00 175.26 177.93 3kcr n PHE 90 N 2.98 1.68 -0.27 1.61 -1.74 -1.26 -4.79 117.46 115.66 3kcr n PHE 90 Ca -0.13 0.42 -0.01 0.00 -0.56 0.00 0.00 57.45 57.16 3kcr n PHE 90 Cb 0.58 -2.22 0.17 0.00 1.52 0.00 0.00 39.48 39.53 3kcr n PHE 90 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3kcr h THR 91 N 0.28 1.23 -4.00 1.97 1.03 -1.88 -3.41 112.91 108.13 3kcr h THR 91 Ca -0.50 -0.51 -0.50 0.00 -0.01 0.00 0.00 66.41 64.89 3kcr h THR 91 Cb 1.34 0.08 0.05 0.00 -1.07 0.00 0.00 68.15 68.55 3kcr h THR 91 CO 0.51 0.24 0.47 -0.69 -0.01 0.00 0.00 175.52 176.04 3kcr s VAL 92 N -5.82 3.23 0.83 0.00 1.01 -1.26 -1.93 120.40 116.46 3kcr s VAL 92 Ca -0.12 0.92 -0.14 0.00 0.00 0.00 0.00 61.98 62.65 3kcr s VAL 92 Cb 0.17 -3.47 0.20 0.00 0.00 0.00 0.00 36.38 33.29 3kcr s VAL 92 CO 0.80 -0.01 0.81 0.61 0.00 0.00 0.00 175.10 177.31 3kcr n GLY 93 N 0.41 -2.39 0.00 4.51 0.00 -0.31 -4.41 105.19 103.00 3kcr n GLY 93 Ca 0.07 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3kcr n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLN 94 N -3.67 0.00 -3.55 1.61 0.00 -1.26 -4.74 117.38 105.77 3kcr n GLN 94 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 57.00 56.87 3kcr n GLN 94 Cb 0.41 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.69 3kcr n GLN 94 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3kcr n SER 95 N 0.00 -5.84 -4.67 2.61 7.64 -1.13 -4.78 113.62 107.45 3kcr n SER 95 Ca 0.00 -0.82 -0.38 0.00 1.01 0.00 0.00 58.87 58.68 3kcr n SER 95 Cb 0.16 -3.67 0.05 0.00 -1.01 0.00 0.00 64.21 59.74 3kcr n SER 95 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3kcr n ILE 96 N -3.47 3.80 -4.78 0.44 5.41 -1.23 -4.53 119.36 115.00 3kcr n ILE 96 Ca -0.10 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.82 3kcr n ILE 96 Cb 0.59 -1.34 -0.12 0.00 -0.71 0.00 0.00 39.64 38.06 3kcr n ILE 96 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3kcr s SER 97 N -1.13 4.26 0.28 4.38 0.01 -1.26 -4.69 113.70 115.55 3kcr s SER 97 Ca 0.74 -0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.92 3kcr s SER 97 Cb -0.43 -0.96 0.29 0.00 0.21 0.00 0.00 66.02 65.14 3kcr s SER 97 CO 0.48 0.35 0.96 1.33 0.41 0.00 0.00 173.24 176.76 3kcr n VAL 98 N 2.23 0.32 0.05 3.43 0.24 -1.26 -3.94 118.33 119.40 3kcr n VAL 98 Ca -0.17 0.71 0.20 0.00 -2.04 0.00 0.00 64.34 63.04 3kcr n VAL 98 Cb 0.52 -1.71 0.72 0.00 -1.47 0.00 0.00 33.84 31.90 3kcr n VAL 98 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3kcr h GLU 99 N 0.00 0.00 -0.73 7.34 4.39 -1.90 -3.27 114.58 120.42 3kcr h GLU 99 Ca 0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 3kcr h GLU 99 Cb 1.03 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.56 3kcr h GLU 99 CO 0.00 0.00 -0.39 1.25 -1.16 0.00 0.00 179.01 178.71 3kcr h LEU 100 N 0.00 -1.37 -3.92 1.33 5.85 -1.85 -2.75 115.31 112.60 3kcr h LEU 100 Ca 0.21 0.26 -0.50 0.00 0.84 0.00 0.00 57.88 58.69 3kcr h LEU 100 Cb 0.94 0.67 -0.28 0.00 0.37 0.00 0.00 40.66 42.36 3kcr h LEU 100 CO -0.00 -0.30 0.58 0.49 -0.34 0.00 0.00 178.44 178.86 3kcr n PHE 101 N -5.43 2.86 -0.25 1.25 3.72 -1.23 -3.91 117.46 114.47 3kcr n PHE 101 Ca 0.05 -2.01 -0.02 0.00 -0.05 0.00 0.00 57.45 55.42 3kcr n PHE 101 Cb 0.36 -0.96 0.16 0.00 -0.94 0.00 0.00 39.48 38.10 3kcr n PHE 101 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kcr h ALA 102 N 1.17 1.25 -0.07 4.37 0.00 -1.72 -2.90 119.26 121.36 3kcr h ALA 102 Ca 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 3kcr h ALA 102 Cb 2.40 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 3kcr h ALA 102 CO 1.09 0.59 0.02 -0.44 0.00 0.00 0.00 179.25 180.51 3kcr h ASP 103 N 1.07 0.11 -3.23 0.00 3.32 -1.83 -3.39 116.42 112.48 3kcr h ASP 103 Ca 0.27 -0.23 -0.76 0.00 0.02 0.00 0.00 57.03 56.32 3kcr h ASP 103 Cb 0.07 -0.03 -0.25 0.00 0.22 0.00 0.00 39.33 39.34 3kcr h ASP 103 CO -0.04 0.32 -0.21 -0.69 -1.72 0.00 0.00 179.24 176.90 3kcr s VAL 104 N -5.26 5.09 -0.93 -1.35 1.01 -1.09 -4.90 120.40 112.96 3kcr s VAL 104 Ca -0.14 -1.69 -0.00 0.00 0.00 0.00 0.00 61.98 60.14 3kcr s VAL 104 Cb 0.05 -4.26 0.30 0.00 0.00 0.00 0.00 36.38 32.47 3kcr s VAL 104 CO 0.69 -0.88 1.31 0.29 0.00 0.00 0.00 175.10 176.51 3kcr n LYS 105 N 5.01 4.05 0.14 2.72 5.02 -1.26 -4.07 118.16 129.76 3kcr n LYS 105 Ca -0.09 -4.63 0.00 0.00 -2.02 0.00 0.00 58.31 51.57 3kcr n LYS 105 Cb 0.41 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 3kcr n LYS 105 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kcr n LYS 106 N 0.90 0.00 0.00 1.97 4.81 -1.19 -4.00 118.16 120.66 3kcr n LYS 106 Ca 0.30 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 3kcr n LYS 106 Cb 0.35 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.40 3kcr n LYS 106 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3kcr n VAL 107 N -3.10 0.00 0.00 3.15 0.24 -1.26 -3.18 118.33 114.19 3kcr n VAL 107 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kcr n VAL 107 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3kcr n VAL 107 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3kcr n ASP 108 N -3.68 0.00 -0.01 -1.34 9.92 -0.50 -1.57 116.55 119.37 3kcr n ASP 108 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3kcr n ASP 108 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3kcr n ASP 108 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3kcr n VAL 109 N -0.70 -0.40 -4.07 2.53 0.31 -1.26 -3.31 118.33 111.43 3kcr n VAL 109 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 3kcr n VAL 109 Cb 0.00 -0.40 -0.09 0.00 -0.91 0.00 0.00 33.84 32.44 3kcr n VAL 109 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kcr s THR 110 N -0.35 4.83 0.00 2.52 2.01 -0.85 -2.45 115.64 121.35 3kcr s THR 110 Ca 0.00 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.97 3kcr s THR 110 Cb 0.00 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.39 3kcr s THR 110 CO 0.00 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 3kcr n GLY 111 N 2.83 5.41 0.00 4.40 0.00 -0.66 -4.09 105.19 113.08 3kcr n GLY 111 Ca -0.18 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3kcr n GLY 111 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kcr n THR 112 N 0.00 0.00 -0.23 2.61 -2.24 -1.26 -1.99 114.28 111.17 3kcr n THR 112 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 3kcr n THR 112 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 3kcr n THR 112 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kcr n SER 113 N 0.00 -1.29 -4.60 3.42 2.88 -1.26 -2.22 113.62 110.55 3kcr n SER 113 Ca 0.00 0.22 -0.43 0.00 -1.33 0.00 0.00 58.87 57.33 3kcr n SER 113 Cb 0.00 -0.79 -0.03 0.00 -0.75 0.00 0.00 64.21 62.64 3kcr n SER 113 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3kcr s LYS 114 N -2.98 3.29 0.46 -1.46 1.02 -0.24 -1.00 119.74 118.82 3kcr s LYS 114 Ca 0.00 1.80 -0.23 0.00 0.02 0.00 0.00 55.97 57.57 3kcr s LYS 114 Cb 0.00 -4.28 -0.08 0.00 -0.52 0.00 0.00 37.83 32.95 3kcr s LYS 114 CO 0.00 -1.92 1.13 0.20 -0.92 0.00 0.00 175.35 173.84 3kcr s GLY 115 N 7.07 2.73 0.00 -3.33 0.00 -1.22 -4.30 107.32 108.28 3kcr s GLY 115 Ca 0.91 0.85 0.00 0.00 0.00 0.00 0.00 44.72 46.47 3kcr s GLY 115 CO 0.35 1.28 0.00 1.17 0.00 0.00 0.00 173.10 175.89 3kcr n LYS 116 N -0.51 0.00 0.00 2.90 3.00 -1.26 -4.91 118.16 117.38 3kcr n LYS 116 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 3kcr n LYS 116 Cb 0.49 -0.43 0.00 0.00 0.00 0.00 0.00 35.03 35.09 3kcr n LYS 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kcr n GLY 117 N 0.70 0.37 0.23 3.14 0.00 -1.26 -5.02 105.19 103.34 3kcr n GLY 117 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 3kcr n GLY 117 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3kcr h PHE 118 N 0.00 0.76 -5.75 1.61 -5.15 -1.96 -3.43 116.94 103.01 3kcr h PHE 118 Ca 0.00 -0.08 -0.36 0.00 -0.20 0.00 0.00 57.97 57.34 3kcr h PHE 118 Cb 0.00 -0.22 0.15 0.00 0.22 0.00 0.00 35.95 36.10 3kcr h PHE 118 CO 0.00 0.67 -0.75 0.00 -2.00 0.00 0.00 178.31 176.23 3kcr n ALA 119 N -2.35 -1.79 -0.11 12.09 0.00 -1.26 -4.29 120.51 122.79 3kcr n ALA 119 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3kcr n ALA 119 Cb 0.19 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.28 3kcr n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 120 N -1.43 -3.10 0.00 0.00 0.00 -1.26 -3.83 105.19 95.56 3kcr n GLY 120 Ca -0.19 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3kcr n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kcr n THR 121 N -0.17 0.00 -0.01 2.61 -2.24 -1.26 -1.64 114.28 111.57 3kcr n THR 121 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 3kcr n THR 121 Cb 0.00 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 3kcr n THR 121 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3kcr n VAL 122 N -0.38 0.09 0.10 2.28 3.14 -1.26 -4.57 118.33 117.73 3kcr n VAL 122 Ca 0.00 -0.18 0.05 0.00 -2.96 0.00 0.00 64.34 61.25 3kcr n VAL 122 Cb 0.01 0.09 -0.07 0.00 -1.06 0.00 0.00 33.84 32.81 3kcr n VAL 122 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 3kcr n LYS 123 N -1.84 1.17 -0.48 1.45 2.85 -1.26 -0.58 118.16 119.47 3kcr n LYS 123 Ca -0.03 -0.07 0.07 0.00 -1.05 0.00 0.00 58.31 57.23 3kcr n LYS 123 Cb 0.29 -1.16 0.27 0.00 -0.65 0.00 0.00 35.03 33.78 3kcr n LYS 123 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3kcr n ARG 124 N -1.69 3.09 0.00 -1.58 3.00 -1.26 -3.35 116.66 114.88 3kcr n ARG 124 Ca -0.01 -2.16 0.00 0.00 -0.00 0.00 0.00 57.85 55.68 3kcr n ARG 124 Cb 0.23 -1.75 0.00 0.00 0.00 0.00 0.00 32.46 30.94 3kcr n ARG 124 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 3kcr n TRP 125 N 0.78 0.00 -2.67 -0.14 7.02 -1.23 -4.89 117.44 116.32 3kcr n TRP 125 Ca 0.19 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.58 3kcr n TRP 125 Cb 0.71 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.65 3kcr n TRP 125 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3kcr n ASN 126 N 0.00 -3.88 -4.34 -0.99 4.13 0.25 -5.02 115.26 105.42 3kcr n ASN 126 Ca 0.00 -0.41 -0.24 0.00 1.68 0.00 0.00 54.58 55.61 3kcr n ASN 126 Cb 0.00 -3.35 -0.12 0.00 -1.54 0.00 0.00 39.78 34.77 3kcr n ASN 126 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3kcr s PHE 127 N -3.23 1.94 -0.15 3.10 2.99 -1.06 -5.04 117.98 116.52 3kcr s PHE 127 Ca 0.18 -0.42 -0.10 0.00 0.00 0.00 0.00 56.93 56.59 3kcr s PHE 127 Cb -0.02 -1.01 -0.05 0.00 0.00 0.00 0.00 43.02 41.94 3kcr s PHE 127 CO 0.45 0.32 0.18 0.50 -0.00 0.00 0.00 175.22 176.66 3kcr s ARG 128 N -2.40 3.93 0.23 0.44 3.00 -1.26 -4.87 118.95 118.01 3kcr s ARG 128 Ca 0.13 -0.10 -0.32 0.00 -1.00 0.00 0.00 55.73 54.45 3kcr s ARG 128 Cb -0.08 -3.33 -0.12 0.00 0.00 0.00 0.00 34.95 31.42 3kcr s ARG 128 CO 0.06 0.48 1.64 2.41 0.00 0.00 0.00 175.30 179.90 3kcr n THR 129 N 2.89 0.41 -4.37 4.11 -1.04 -1.26 -4.81 114.28 110.20 3kcr n THR 129 Ca -0.17 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.05 61.40 3kcr n THR 129 Cb 0.53 -1.89 -0.10 0.00 -1.82 0.00 0.00 70.33 67.05 3kcr n THR 129 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3kcr s GLN 130 N 0.47 3.20 0.00 -2.82 -0.21 -1.22 -5.09 119.66 113.99 3kcr s GLN 130 Ca 0.71 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 55.65 3kcr s GLN 130 Cb -0.53 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 30.64 3kcr s GLN 130 CO 0.40 0.56 0.00 -0.25 -2.12 0.00 0.00 175.29 173.88 3kcr n ASP 131 N 2.57 0.00 0.00 5.90 8.00 -1.26 -4.22 116.55 127.54 3kcr n ASP 131 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 3kcr n ASP 131 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3kcr n ASP 131 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kcr n ALA 132 N -3.00 0.00 -2.99 2.24 0.00 -1.26 -4.36 120.51 111.14 3kcr n ALA 132 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3kcr n ALA 132 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3kcr n ALA 132 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3kcr s THR 133 N 0.00 0.09 0.00 0.00 -1.32 -1.26 -3.46 115.64 109.69 3kcr s THR 133 Ca 0.00 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 3kcr s THR 133 Cb 0.00 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 3kcr s THR 133 CO 0.00 -0.43 0.00 1.41 -2.21 0.00 0.00 174.62 173.39 3kcr n HIS 134 N 1.00 0.00 0.00 9.09 8.25 -1.26 -4.79 115.22 127.52 3kcr n HIS 134 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3kcr n HIS 134 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 3kcr n HIS 134 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kcr n GLY 135 N -0.47 0.00 3.70 -1.41 0.00 -1.26 -5.18 105.19 100.58 3kcr n GLY 135 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3kcr n GLY 135 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kcr s ASN 136 N 0.00 5.20 -0.42 1.61 3.84 -1.23 -5.08 114.94 118.87 3kcr s ASN 136 Ca 0.00 -0.03 -0.06 0.00 0.21 0.00 0.00 52.86 52.98 3kcr s ASN 136 Cb 0.00 -1.36 0.10 0.00 -0.55 0.00 0.00 41.25 39.44 3kcr s ASN 136 CO 0.00 0.25 0.25 -0.94 -2.79 0.00 0.00 177.10 173.86 3kcr s SER 137 N -1.82 5.46 -1.38 -4.21 1.04 -1.26 -4.55 113.70 106.99 3kcr s SER 137 Ca 0.22 -1.80 0.00 0.00 0.48 0.00 0.00 55.95 54.85 3kcr s SER 137 Cb -0.12 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.09 3kcr s SER 137 CO 0.14 -0.57 0.00 0.18 0.98 0.00 0.00 173.24 173.97 3kcr n LEU 138 N 4.78 -1.10 -3.91 2.42 4.32 -1.26 -4.93 117.00 117.32 3kcr n LEU 138 Ca -0.07 0.27 -0.29 0.00 -0.02 0.00 0.00 56.01 55.90 3kcr n LEU 138 Cb 0.42 -2.04 -0.16 0.00 -1.62 0.00 0.00 43.42 40.02 3kcr n LEU 138 CO 0.37 -0.60 -0.43 -0.55 -1.22 0.00 0.00 177.39 174.97 3kcr s SER 139 N -2.77 3.23 0.23 -1.43 0.15 -1.26 -4.97 113.70 106.88 3kcr s SER 139 Ca 0.00 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.78 3kcr s SER 139 Cb 0.00 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 3kcr s SER 139 CO 0.00 -0.20 0.00 1.41 1.20 0.00 0.00 173.24 175.65 3kcr n HIS 140 N 4.80 -2.00 -1.10 3.44 -0.00 -1.26 -4.34 115.22 114.74 3kcr n HIS 140 Ca -0.12 0.35 -0.20 0.00 -0.00 0.00 0.00 57.72 57.75 3kcr n HIS 140 Cb 0.46 0.54 -0.00 0.00 -0.00 0.00 0.00 29.99 30.99 3kcr n HIS 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3kcr n ARG 141 N -3.32 2.02 -3.82 -0.41 1.74 -1.26 -3.37 116.66 108.24 3kcr n ARG 141 Ca 0.00 -1.81 -0.30 0.00 -0.77 0.00 0.00 57.85 54.98 3kcr n ARG 141 Cb 0.00 -1.81 -0.15 0.00 -1.02 0.00 0.00 32.46 29.47 3kcr n ARG 141 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kcr s VAL 142 N -2.13 1.15 -1.02 1.55 1.01 -1.26 -4.87 120.40 114.82 3kcr s VAL 142 Ca 0.42 -1.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 3kcr s VAL 142 Cb 0.29 -1.70 0.29 0.00 0.00 0.00 0.00 36.38 35.27 3kcr s VAL 142 CO -0.08 -0.42 1.30 -0.81 0.00 0.00 0.00 175.10 175.09 3kcr n PRO 143 N 4.77 4.01 -1.26 2.72 -0.04 -1.26 -4.48 135.00 139.46 3kcr n PRO 143 Ca -0.05 -4.55 -0.37 0.00 -0.04 0.00 0.00 63.50 58.48 3kcr n PRO 143 Cb 0.44 -2.48 0.04 0.00 -0.04 0.00 0.00 33.50 31.45 3kcr n PRO 143 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kcr n GLY 144 N 1.52 -2.50 0.66 0.55 0.00 -1.26 -4.70 105.19 99.46 3kcr n GLY 144 Ca 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3kcr n GLY 144 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kcr n SER 145 N 1.27 -3.87 0.00 1.61 2.88 -1.26 -5.09 113.62 109.17 3kcr n SER 145 Ca 0.08 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 3kcr n SER 145 Cb 0.49 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 3kcr n SER 145 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3kcr n ILE 146 N -1.40 0.00 -0.51 2.46 -5.35 -1.26 -5.14 119.36 108.16 3kcr n ILE 146 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3kcr n ILE 146 Cb 0.09 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 3kcr n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kcr n GLY 147 N 3.43 1.38 0.00 3.28 0.00 -1.26 -5.14 105.19 106.89 3kcr n GLY 147 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3kcr n GLY 147 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kcr n GLN 148 N 0.00 3.35 0.00 1.61 3.00 -1.26 -5.15 117.38 118.93 3kcr n GLN 148 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3kcr n GLN 148 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3kcr n GLN 148 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3kcr n ASN 149 N 0.00 0.00 -0.00 1.08 5.15 -1.26 -4.84 115.26 115.39 3kcr n ASN 149 Ca 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.96 3kcr n ASN 149 Cb 0.00 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 39.48 3kcr n ASN 149 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3kcr h GLN 150 N 0.00 0.53 -0.94 1.20 4.15 -2.01 0.71 115.11 118.74 3kcr h GLN 150 Ca 0.00 -0.16 0.04 0.00 0.77 0.00 0.00 58.65 59.29 3kcr h GLN 150 Cb 0.00 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.58 3kcr h GLN 150 CO 0.00 0.66 0.61 1.15 -1.93 0.00 0.00 178.83 179.33 3kcr h THR 151 N 0.48 1.15 0.21 2.39 2.02 -2.03 -1.86 112.91 115.27 3kcr h THR 151 Ca 0.09 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3kcr h THR 151 Cb 0.54 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3kcr h THR 151 CO 0.03 0.22 -0.10 1.55 0.37 0.00 0.00 175.52 177.59 3kcr h PRO 152 N 1.18 -0.27 0.00 6.66 0.13 -1.92 -3.48 132.00 134.30 3kcr h PRO 152 Ca 0.38 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.53 3kcr h PRO 152 Cb 0.01 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.20 3kcr h PRO 152 CO -0.12 -0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.04 3kcr n GLY 153 N 0.87 0.92 2.92 1.56 0.00 0.24 -4.93 105.19 106.76 3kcr n GLY 153 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 3kcr n GLY 153 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kcr n LYS 154 N -2.00 0.67 -4.05 1.61 2.85 -1.26 -4.95 118.16 111.03 3kcr n LYS 154 Ca 0.00 -2.26 -0.12 0.00 -1.05 0.00 0.00 58.31 54.88 3kcr n LYS 154 Cb 0.00 2.29 -0.11 0.00 -0.65 0.00 0.00 35.03 36.56 3kcr n LYS 154 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3kcr s VAL 155 N -2.65 0.42 0.04 0.58 1.01 -1.26 -4.84 120.40 113.71 3kcr s VAL 155 Ca 0.22 -1.10 0.06 0.00 0.00 0.00 0.00 61.98 61.16 3kcr s VAL 155 Cb -0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3kcr s VAL 155 CO 0.16 -0.46 -0.18 0.12 0.00 0.00 0.00 175.10 174.74 3kcr s PHE 156 N -1.60 1.56 0.14 5.22 2.19 -1.26 -5.12 117.98 119.11 3kcr s PHE 156 Ca -0.10 -0.36 -0.07 0.00 0.33 0.00 0.00 56.93 56.73 3kcr s PHE 156 Cb -0.09 -0.93 -0.06 0.00 -1.31 0.00 0.00 43.02 40.64 3kcr s PHE 156 CO -0.01 0.07 0.40 0.15 1.83 0.00 0.00 175.22 177.66 3kcr s LYS 157 N -1.16 3.67 0.00 10.12 1.02 -1.26 -3.94 119.74 128.19 3kcr s LYS 157 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.06 3kcr s LYS 157 Cb -0.08 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 3kcr s LYS 157 CO 0.02 0.47 0.00 0.41 -0.92 0.00 0.00 175.35 175.33 3kcr n GLY 158 N 0.27 0.70 2.90 -3.33 0.00 -1.26 -4.99 105.19 99.48 3kcr n GLY 158 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3kcr n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr s LYS 159 N -0.13 1.49 0.16 1.61 -0.14 -1.25 -5.13 119.74 116.35 3kcr s LYS 159 Ca 0.00 -0.25 -0.05 0.00 -1.36 0.00 0.00 55.97 54.31 3kcr s LYS 159 Cb 0.00 -1.59 -0.03 0.00 -1.68 0.00 0.00 37.83 34.54 3kcr s LYS 159 CO 0.00 -0.28 0.18 0.15 -0.76 0.00 0.00 175.35 174.64 3kcr s LYS 160 N 1.72 1.11 0.00 1.68 -0.14 -1.26 -4.80 119.74 118.04 3kcr s LYS 160 Ca 0.05 -1.37 0.00 0.00 -1.36 0.00 0.00 55.97 53.29 3kcr s LYS 160 Cb -0.13 0.31 0.00 0.00 -1.68 0.00 0.00 37.83 36.33 3kcr s LYS 160 CO -0.08 -0.37 0.00 0.00 -0.76 0.00 0.00 175.35 174.14 3kcr n MET 161 N -0.19 0.00 -3.92 1.68 0.00 -1.26 -4.90 117.12 108.52 3kcr n MET 161 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.38 3kcr n MET 161 Cb 0.64 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.69 3kcr n MET 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kcr s ALA 162 N 0.00 1.50 0.34 3.17 0.00 -1.26 -4.31 121.76 121.20 3kcr s ALA 162 Ca 0.00 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.29 3kcr s ALA 162 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 3kcr s ALA 162 CO 0.00 -0.57 0.48 0.20 0.00 0.00 0.00 175.76 175.87 3kcr s GLY 163 N 1.63 1.64 -0.09 0.00 0.00 -0.65 -5.04 107.32 104.81 3kcr s GLY 163 Ca 0.03 -1.49 -0.20 0.00 0.00 0.00 0.00 44.72 43.06 3kcr s GLY 163 CO -0.08 -1.39 0.48 1.62 0.00 0.00 0.00 173.10 173.73 3kcr s GLN 164 N -4.19 0.75 0.07 2.90 2.00 -1.25 -4.43 119.66 115.51 3kcr s GLN 164 Ca 0.46 0.26 0.02 0.00 -2.00 0.00 0.00 55.36 54.09 3kcr s GLN 164 Cb -0.09 0.35 -0.03 0.00 0.80 0.00 0.00 33.01 34.03 3kcr s GLN 164 CO 0.31 -0.18 -0.07 -1.64 -0.50 0.00 0.00 175.29 173.21 3kcr s MET 165 N -0.71 0.67 0.02 1.67 -1.94 -1.26 -5.02 119.30 112.74 3kcr s MET 165 Ca -0.08 -1.05 0.00 0.00 -1.71 0.00 0.00 55.69 52.85 3kcr s MET 165 Cb -0.03 -0.23 0.00 0.00 2.01 0.00 0.00 34.83 36.58 3kcr s MET 165 CO 0.05 0.01 0.00 0.41 -0.01 0.00 0.00 175.02 175.48 3kcr n GLY 166 N 0.70 -3.50 0.85 -0.03 0.00 -0.17 -3.46 105.19 99.58 3kcr n GLY 166 Ca -0.17 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3kcr n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kcr n ASN 167 N -0.32 -1.25 0.00 1.61 4.13 -1.26 -4.84 115.26 113.33 3kcr n ASN 167 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3kcr n ASN 167 Cb 0.00 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 3kcr n ASN 167 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 3kcr n GLU 168 N -0.85 0.00 -2.35 3.52 0.00 -1.26 -5.14 120.64 114.56 3kcr n GLU 168 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.80 3kcr n GLU 168 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.74 3kcr n GLU 168 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3kcr s ARG 169 N -0.88 3.67 0.08 3.44 0.52 -1.26 -4.13 118.95 120.40 3kcr s ARG 169 Ca 0.00 1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 56.80 3kcr s ARG 169 Cb 0.00 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 3kcr s ARG 169 CO 0.00 -0.58 0.00 0.14 0.02 0.00 0.00 175.30 174.88 3kcr s VAL 170 N -1.73 0.18 -0.07 3.52 -7.23 -0.84 -4.97 120.40 109.26 3kcr s VAL 170 Ca 0.67 -1.85 -0.09 0.00 -1.81 0.00 0.00 61.98 58.90 3kcr s VAL 170 Cb -0.24 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.00 3kcr s VAL 170 CO 0.28 -0.79 0.24 -0.89 -0.31 0.00 0.00 175.10 173.63 3kcr s THR 171 N -3.97 0.02 -0.18 5.32 2.01 -1.26 -1.66 115.64 115.92 3kcr s THR 171 Ca 0.14 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.01 3kcr s THR 171 Cb 0.08 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.20 3kcr s THR 171 CO -0.05 -0.08 0.40 1.33 -0.69 0.00 0.00 174.62 175.53 3kcr n VAL 172 N 2.57 0.00 -1.19 3.82 0.24 -1.02 -5.01 118.33 117.73 3kcr n VAL 172 Ca -0.15 -0.49 0.16 0.00 -2.04 0.00 0.00 64.34 61.82 3kcr n VAL 172 Cb 0.58 1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 33.93 3kcr n VAL 172 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kcr n GLN 173 N -0.26 -2.40 0.00 7.34 1.13 -1.21 -4.95 117.38 117.03 3kcr n GLN 173 Ca 0.01 1.59 0.00 0.00 -1.94 0.00 0.00 57.00 56.66 3kcr n GLN 173 Cb 0.04 -2.93 0.00 0.00 0.11 0.00 0.00 30.24 27.46 3kcr n GLN 173 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3kcr n SER 174 N -3.68 0.00 -0.64 1.08 7.64 -0.61 -4.52 113.62 112.90 3kcr n SER 174 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3kcr n SER 174 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3kcr n SER 174 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3kcr n LEU 175 N 0.00 -2.60 -4.76 -3.43 4.77 -1.24 -4.48 117.00 105.25 3kcr n LEU 175 Ca 0.00 0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 56.05 3kcr n LEU 175 Cb 0.00 -0.97 -0.02 0.00 -2.33 0.00 0.00 43.42 40.10 3kcr n LEU 175 CO 0.00 -0.22 1.08 -1.81 -1.33 0.00 0.00 177.39 175.11 3kcr s ASP 176 N -0.29 6.58 -0.03 -1.43 1.11 -1.26 -3.14 116.67 118.22 3kcr s ASP 176 Ca 0.00 2.82 -0.30 0.00 0.18 0.00 0.00 52.55 55.25 3kcr s ASP 176 Cb 0.00 -2.65 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 3kcr s ASP 176 CO 0.00 -0.71 1.13 -0.69 1.18 0.00 0.00 175.17 176.08 3kcr s VAL 177 N -0.76 4.39 -0.11 -1.27 1.01 -1.26 -4.12 120.40 118.29 3kcr s VAL 177 Ca 0.54 1.71 0.15 0.00 0.00 0.00 0.00 61.98 64.38 3kcr s VAL 177 Cb -0.43 -4.10 0.25 0.00 0.00 0.00 0.00 36.38 32.10 3kcr s VAL 177 CO 0.53 0.05 1.13 1.33 0.00 0.00 0.00 175.10 178.14 3kcr n VAL 178 N 4.32 1.54 -3.56 2.92 0.24 -0.37 -4.84 118.33 118.57 3kcr n VAL 178 Ca 0.09 -1.90 -0.13 0.00 -2.04 0.00 0.00 64.34 60.36 3kcr n VAL 178 Cb 0.47 -0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.70 3kcr n VAL 178 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3kcr s ARG 179 N -2.33 0.77 0.00 7.34 3.52 -0.43 -4.40 118.95 123.41 3kcr s ARG 179 Ca 0.27 0.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 3kcr s ARG 179 Cb 0.24 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.99 3kcr s ARG 179 CO 0.01 -0.23 0.64 1.33 -0.81 0.00 0.00 175.30 176.24 3kcr n VAL 180 N 0.89 0.00 -3.67 7.11 0.24 -1.26 -4.28 118.33 117.36 3kcr n VAL 180 Ca -0.14 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.81 3kcr n VAL 180 Cb 0.57 0.26 -0.08 0.00 -1.47 0.00 0.00 33.84 33.12 3kcr n VAL 180 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kcr s ASP 181 N -0.37 6.21 -0.25 -1.34 1.01 -1.25 -2.85 116.67 117.83 3kcr s ASP 181 Ca 0.00 0.23 -0.16 0.00 0.71 0.00 0.00 52.55 53.33 3kcr s ASP 181 Cb 0.00 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.78 3kcr s ASP 181 CO 0.00 0.12 0.43 0.00 0.21 0.00 0.00 175.17 175.93 3kcr s ALA 182 N 0.66 3.57 0.00 5.23 0.00 -1.26 -2.73 121.76 127.23 3kcr s ALA 182 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3kcr s ALA 182 Cb -0.12 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.24 3kcr s ALA 182 CO 0.01 -0.61 0.00 -0.85 0.00 0.00 0.00 175.76 174.31 3kcr n GLU 183 N 5.23 0.00 0.00 0.00 -0.00 -1.26 -4.77 120.64 119.84 3kcr n GLU 183 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.09 3kcr n GLU 183 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.94 3kcr n GLU 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3kcr n ARG 184 N 0.00 0.02 -1.66 3.44 1.74 -1.26 -4.98 116.66 113.95 3kcr n ARG 184 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kcr n ARG 184 Cb 0.03 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.47 3kcr n ARG 184 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kcr n ASN 185 N 0.00 -1.97 -4.87 0.55 3.02 -1.26 -4.81 115.26 105.91 3kcr n ASN 185 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 3kcr n ASN 185 Cb 0.00 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 38.62 3kcr n ASN 185 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kcr s LEU 186 N -2.59 4.33 -0.10 3.41 1.43 -1.11 -3.53 118.68 120.53 3kcr s LEU 186 Ca 0.00 0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 53.82 3kcr s LEU 186 Cb 0.00 -3.04 0.04 0.00 0.03 0.00 0.00 46.19 43.22 3kcr s LEU 186 CO 0.00 0.15 0.05 -0.22 0.23 0.00 0.00 176.35 176.56 3kcr s LEU 187 N -2.05 0.43 -0.24 1.79 2.96 -0.89 -3.85 118.68 116.83 3kcr s LEU 187 Ca 0.34 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.95 3kcr s LEU 187 Cb -0.13 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 3kcr s LEU 187 CO 0.19 -0.26 0.10 -0.76 -1.32 0.00 0.00 176.35 174.30 3kcr s LEU 188 N 2.07 3.70 0.54 -0.68 1.43 -1.26 -0.46 118.68 124.02 3kcr s LEU 188 Ca 0.04 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3kcr s LEU 188 Cb -0.14 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.15 3kcr s LEU 188 CO -0.06 0.02 0.58 0.68 0.23 0.00 0.00 176.35 177.81 3kcr s VAL 189 N 1.31 2.03 -1.09 -1.59 -7.23 -0.79 -1.24 120.40 111.79 3kcr s VAL 189 Ca 0.06 -1.23 0.11 0.00 -1.81 0.00 0.00 61.98 59.10 3kcr s VAL 189 Cb -0.15 -2.27 0.47 0.00 0.56 0.00 0.00 36.38 34.99 3kcr s VAL 189 CO 0.05 0.00 1.29 1.17 -0.31 0.00 0.00 175.10 177.30 3kcr n LYS 190 N -1.96 2.89 -0.34 4.82 4.81 -1.26 -2.23 118.16 124.89 3kcr n LYS 190 Ca 0.07 -1.82 0.04 0.00 -0.87 0.00 0.00 58.31 55.73 3kcr n LYS 190 Cb 0.63 -1.74 -0.02 0.00 0.02 0.00 0.00 35.03 33.92 3kcr n LYS 190 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kcr n GLY 191 N 0.70 -2.26 2.41 3.14 0.00 -1.19 -4.33 105.19 103.67 3kcr n GLY 191 Ca 0.16 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 3kcr n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr n ALA 192 N -2.66 -1.18 -2.57 4.61 0.00 -1.26 -4.93 120.51 112.51 3kcr n ALA 192 Ca -0.01 -0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 3kcr n ALA 192 Cb 0.16 -1.62 -0.11 0.00 0.00 0.00 0.00 19.45 17.88 3kcr n ALA 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3kcr s VAL 193 N -3.21 3.63 0.68 0.00 -7.23 -1.26 -5.09 120.40 107.93 3kcr s VAL 193 Ca 0.00 -0.54 -0.17 0.00 -1.81 0.00 0.00 61.98 59.47 3kcr s VAL 193 Cb -0.00 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 3kcr s VAL 193 CO 0.43 0.58 0.72 -2.65 -0.31 0.00 0.00 175.10 173.86 3kcr n PRO 194 N 2.16 0.47 0.00 4.82 -0.02 -1.26 -4.99 135.00 136.18 3kcr n PRO 194 Ca -0.18 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3kcr n PRO 194 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3kcr n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kcr n GLY 195 N 1.46 1.88 0.00 -1.23 0.00 -1.26 -4.79 105.19 101.25 3kcr n GLY 195 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3kcr n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr n ALA 196 N -3.00 0.11 0.00 4.61 0.00 -1.26 -1.08 120.51 119.89 3kcr n ALA 196 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kcr n ALA 196 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kcr n ALA 196 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kcr n THR 197 N 0.00 0.00 -0.63 0.00 -1.04 -1.26 -4.94 114.28 106.41 3kcr n THR 197 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kcr n THR 197 Cb 0.11 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 3kcr n THR 197 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kcr n GLY 198 N 2.09 1.44 3.75 3.41 0.00 -1.24 -4.98 105.19 109.66 3kcr n GLY 198 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kcr n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kcr s SER 199 N -3.22 6.94 0.60 1.61 1.04 -1.26 -3.68 113.70 115.72 3kcr s SER 199 Ca 0.00 2.46 -0.18 0.00 0.48 0.00 0.00 55.95 58.70 3kcr s SER 199 Cb 0.00 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 3kcr s SER 199 CO 0.00 -0.44 1.18 -1.81 0.98 0.00 0.00 173.24 173.15 3kcr s ASP 200 N -0.18 5.23 -0.28 7.02 1.11 -1.26 -0.22 116.67 128.09 3kcr s ASP 200 Ca 0.51 2.30 -0.18 0.00 0.18 0.00 0.00 52.55 55.36 3kcr s ASP 200 Cb -0.36 -2.59 0.11 0.00 1.07 0.00 0.00 42.92 41.15 3kcr s ASP 200 CO 0.43 -1.56 0.85 -1.48 1.18 0.00 0.00 175.17 174.59 3kcr s LEU 201 N -4.16 -0.69 0.87 1.23 0.05 -1.26 -4.89 118.68 109.82 3kcr s LEU 201 Ca 0.75 1.15 -0.12 0.00 0.05 0.00 0.00 54.13 55.97 3kcr s LEU 201 Cb -0.28 2.08 0.11 0.00 -2.05 0.00 0.00 46.19 46.06 3kcr s LEU 201 CO 0.33 -0.19 1.10 0.27 -0.55 0.00 0.00 176.35 177.31 3kcr s ILE 202 N 1.19 2.74 -0.48 1.48 -4.36 -1.26 -3.04 121.20 117.47 3kcr s ILE 202 Ca -0.07 0.24 0.06 0.00 -0.26 0.00 0.00 60.65 60.63 3kcr s ILE 202 Cb -0.04 -2.84 0.22 0.00 1.25 0.00 0.00 42.46 41.05 3kcr s ILE 202 CO -0.14 -0.31 0.75 0.55 0.24 0.00 0.00 174.94 176.03 3kcr n VAL 203 N -3.72 -0.19 -0.96 8.37 3.14 -1.15 -2.00 118.33 121.81 3kcr n VAL 203 Ca 0.07 -1.81 -0.31 0.00 -2.96 0.00 0.00 64.34 59.32 3kcr n VAL 203 Cb 0.56 0.65 0.13 0.00 -1.06 0.00 0.00 33.84 34.12 3kcr n VAL 203 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 3kcr s LYS 204 N 0.47 1.55 0.57 1.45 -2.85 -1.26 -3.60 119.74 116.07 3kcr s LYS 204 Ca 0.32 1.43 -0.10 0.00 -1.00 0.00 0.00 55.97 56.62 3kcr s LYS 204 Cb 0.13 -1.80 0.14 0.00 -2.06 0.00 0.00 37.83 34.25 3kcr s LYS 204 CO -0.17 -2.21 0.46 -0.35 0.10 0.00 0.00 175.35 173.18 3kcr n PRO 205 N -3.85 -2.32 -1.67 1.78 -0.04 -1.26 -1.41 135.00 126.23 3kcr n PRO 205 Ca 0.11 -0.74 -0.37 0.00 -0.04 0.00 0.00 63.50 62.46 3kcr n PRO 205 Cb 0.52 -0.75 0.06 0.00 -0.04 0.00 0.00 33.50 33.29 3kcr n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kcr n ALA 206 N -3.94 0.73 0.00 0.55 0.00 -1.24 -3.72 120.51 112.89 3kcr n ALA 206 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3kcr n ALA 206 Cb 0.26 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3kcr n ALA 206 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kcr n VAL 207 N -1.90 0.00 -2.18 0.00 0.24 -1.26 -4.88 118.33 108.35 3kcr n VAL 207 Ca 0.15 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.10 3kcr n VAL 207 Cb 0.48 -0.05 0.02 0.00 -1.47 0.00 0.00 33.84 32.82 3kcr n VAL 207 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kcr n LYS 208 N -0.53 3.10 0.00 7.34 4.81 -1.26 -5.20 118.16 126.42 3kcr n LYS 208 Ca 0.00 -3.96 0.14 0.00 -0.87 0.00 0.00 58.31 53.62 3kcr n LYS 208 Cb 0.03 -2.27 0.60 0.00 0.02 0.00 0.00 35.03 33.41 3kcr n LYS 208 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57