#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr n ARG 2 N 0.00 0.00 -0.33 -1.46 5.12 -1.26 -2.33 116.66 116.40 3kcr n ARG 2 Ca 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 3kcr n ARG 2 Cb 0.00 0.00 0.13 0.00 -1.16 0.00 0.00 32.46 31.43 3kcr n ARG 2 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3kcr h VAL 3 N 0.00 1.25 0.00 1.55 2.07 -1.98 -2.82 116.25 116.32 3kcr h VAL 3 Ca 0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3kcr h VAL 3 Cb 0.00 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 3kcr h VAL 3 CO 0.00 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.84 3kcr n ALA 4 N -2.40 1.95 0.36 1.67 0.00 -0.98 -3.04 120.51 118.07 3kcr n ALA 4 Ca 0.11 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.56 3kcr n ALA 4 Cb 0.04 -1.12 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 3kcr n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kcr n LYS 5 N -0.79 1.98 -3.09 0.00 5.02 -1.06 -4.39 118.16 115.83 3kcr n LYS 5 Ca 0.06 -0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 3kcr n LYS 5 Cb 0.03 -1.16 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 3kcr n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kcr s ALA 6 N -2.43 3.38 -0.29 7.82 0.00 -1.17 -4.94 121.76 124.12 3kcr s ALA 6 Ca 0.01 0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.23 3kcr s ALA 6 Cb 0.09 -2.83 0.53 0.00 0.00 0.00 0.00 23.12 20.91 3kcr s ALA 6 CO 0.51 0.32 1.52 -0.35 0.00 0.00 0.00 175.76 177.76 3kcr n PRO 7 N 0.48 2.08 0.00 0.00 -0.04 -1.26 -4.86 135.00 131.40 3kcr n PRO 7 Ca -0.01 -3.12 0.00 0.00 -0.04 0.00 0.00 63.50 60.34 3kcr n PRO 7 Cb 0.51 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 3kcr n PRO 7 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kcr n VAL 8 N -1.02 0.00 -0.74 0.52 0.31 -1.26 -0.41 118.33 115.72 3kcr n VAL 8 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 3kcr n VAL 8 Cb 1.09 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.02 3kcr n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kcr n VAL 9 N 0.00 -3.81 -4.90 2.52 0.31 -1.24 -4.98 118.33 106.22 3kcr n VAL 9 Ca 0.00 0.89 -0.33 0.00 -0.01 0.00 0.00 64.34 64.90 3kcr n VAL 9 Cb 0.00 -2.34 -0.16 0.00 -0.91 0.00 0.00 33.84 30.43 3kcr n VAL 9 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3kcr s VAL 10 N -0.77 2.49 0.24 2.52 1.01 -1.14 -5.02 120.40 119.73 3kcr s VAL 10 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 3kcr s VAL 10 Cb 0.00 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 3kcr s VAL 10 CO 0.00 0.54 0.96 -2.16 0.00 0.00 0.00 175.10 174.43 3kcr s PRO 11 N 0.47 4.83 0.63 2.72 0.04 -1.26 -5.01 135.00 137.43 3kcr s PRO 11 Ca -0.13 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 3kcr s PRO 11 Cb -0.17 -3.27 0.16 0.00 0.04 0.00 0.00 34.50 31.26 3kcr s PRO 11 CO 0.05 0.48 0.35 0.00 0.04 0.00 0.00 177.00 177.93 3kcr n ALA 12 N 1.50 -2.15 0.00 8.56 0.00 -1.26 -4.60 120.51 122.56 3kcr n ALA 12 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3kcr n ALA 12 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3kcr n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 13 N -2.23 0.81 3.22 0.00 0.00 -1.26 -5.02 105.19 100.71 3kcr n GLY 13 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3kcr n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kcr s VAL 14 N -2.22 1.82 -0.35 1.61 -7.23 -1.26 -4.46 120.40 108.32 3kcr s VAL 14 Ca 0.00 -0.94 -0.04 0.00 -1.81 0.00 0.00 61.98 59.19 3kcr s VAL 14 Cb 0.00 -1.55 0.06 0.00 0.56 0.00 0.00 36.38 35.45 3kcr s VAL 14 CO 0.00 0.51 0.10 -1.81 -0.31 0.00 0.00 175.10 173.59 3kcr s ASP 15 N -0.09 5.19 0.00 4.85 1.01 -0.00 -4.91 116.67 122.72 3kcr s ASP 15 Ca -0.04 -1.38 -0.30 0.00 0.71 0.00 0.00 52.55 51.54 3kcr s ASP 15 Cb -0.13 -1.82 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 3kcr s ASP 15 CO 0.03 -0.36 0.99 -0.69 0.21 0.00 0.00 175.17 175.35 3kcr s VAL 16 N 1.31 4.83 -0.39 -1.27 1.01 -1.26 -2.32 120.40 122.30 3kcr s VAL 16 Ca -0.01 2.03 0.01 0.00 0.00 0.00 0.00 61.98 64.02 3kcr s VAL 16 Cb -0.20 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.00 3kcr s VAL 16 CO 0.00 0.16 0.21 -0.75 0.00 0.00 0.00 175.10 174.71 3kcr s LYS 17 N 1.02 0.97 0.31 2.72 2.20 -0.61 -5.02 119.74 121.33 3kcr s LYS 17 Ca 0.52 -1.64 -0.29 0.00 -0.36 0.00 0.00 55.97 54.20 3kcr s LYS 17 Cb -0.21 -1.98 -0.11 0.00 -1.51 0.00 0.00 37.83 34.02 3kcr s LYS 17 CO 0.28 -1.14 1.50 -1.50 -0.36 0.00 0.00 175.35 174.13 3kcr s ILE 18 N 0.79 2.27 -0.56 5.43 2.07 -1.26 -1.18 121.20 128.76 3kcr s ILE 18 Ca 0.16 0.24 0.06 0.00 -1.41 0.00 0.00 60.65 59.71 3kcr s ILE 18 Cb -0.23 -3.15 0.30 0.00 0.13 0.00 0.00 42.46 39.51 3kcr s ILE 18 CO -0.04 0.05 0.82 0.59 -1.91 0.00 0.00 174.94 174.45 3kcr n ASN 19 N 1.67 3.49 0.00 4.50 4.13 0.12 -4.84 115.26 124.33 3kcr n ASN 19 Ca 0.05 -3.45 0.00 0.00 1.68 0.00 0.00 54.58 52.86 3kcr n ASN 19 Cb 0.39 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 3kcr n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kcr n GLY 20 N 0.31 1.97 0.00 7.41 0.00 -1.26 -2.51 105.19 111.11 3kcr n GLY 20 Ca 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3kcr n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLN 21 N 0.00 0.00 -3.58 1.61 10.64 -1.26 -5.05 117.38 119.74 3kcr n GLN 21 Ca 0.00 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.78 3kcr n GLN 21 Cb 0.00 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.27 3kcr n GLN 21 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3kcr s VAL 22 N 0.00 5.08 -0.38 -0.39 1.01 -1.04 -3.92 120.40 120.76 3kcr s VAL 22 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 3kcr s VAL 22 Cb 0.00 -3.58 0.07 0.00 0.00 0.00 0.00 36.38 32.87 3kcr s VAL 22 CO 0.00 0.05 0.17 -0.63 0.00 0.00 0.00 175.10 174.69 3kcr s ILE 23 N 1.70 3.75 -0.17 2.22 -1.09 0.20 0.15 121.20 127.95 3kcr s ILE 23 Ca 0.06 -1.43 -0.06 0.00 -2.23 0.00 0.00 60.65 56.99 3kcr s ILE 23 Cb -0.17 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 3kcr s ILE 23 CO 0.09 -0.38 0.02 -0.89 -1.23 0.00 0.00 174.94 172.55 3kcr s THR 24 N 1.34 4.39 -0.10 2.92 2.01 -0.32 -0.76 115.64 125.12 3kcr s THR 24 Ca 0.01 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.86 3kcr s THR 24 Cb -0.21 -2.96 0.01 0.00 0.01 0.00 0.00 72.50 69.35 3kcr s THR 24 CO 0.01 0.47 -0.17 -0.51 -0.69 0.00 0.00 174.62 173.73 3kcr s ILE 25 N 0.40 1.58 0.28 1.82 1.10 -0.75 -1.57 121.20 124.07 3kcr s ILE 25 Ca 0.00 -0.70 0.02 0.00 -0.51 0.00 0.00 60.65 59.45 3kcr s ILE 25 Cb -0.13 -1.42 -0.03 0.00 0.15 0.00 0.00 42.46 41.02 3kcr s ILE 25 CO 0.01 0.46 0.46 -0.54 -2.11 0.00 0.00 174.94 173.22 3kcr s LYS 26 N 0.84 3.48 0.00 3.50 3.01 -0.98 -0.97 119.74 128.63 3kcr s LYS 26 Ca -0.09 -0.46 0.00 0.00 -1.01 0.00 0.00 55.97 54.41 3kcr s LYS 26 Cb -0.15 -2.77 0.00 0.00 -1.01 0.00 0.00 37.83 33.90 3kcr s LYS 26 CO 0.00 0.28 0.00 0.41 0.51 0.00 0.00 175.35 176.56 3kcr n GLY 27 N -1.44 1.02 0.00 -3.33 0.00 -1.11 -0.82 105.19 99.52 3kcr n GLY 27 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3kcr n GLY 27 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kcr n LYS 28 N 0.00 0.00 -3.09 1.61 2.85 -0.50 -4.80 118.16 114.23 3kcr n LYS 28 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 3kcr n LYS 28 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 3kcr n LYS 28 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3kcr n ASN 29 N 0.00 1.85 0.00 -5.58 2.85 -1.03 -4.92 115.26 108.43 3kcr n ASN 29 Ca 0.00 -3.18 0.00 0.00 -0.11 0.00 0.00 54.58 51.29 3kcr n ASN 29 Cb 0.20 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 40.62 3kcr n ASN 29 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3kcr n GLY 30 N 0.12 1.66 3.26 8.20 0.00 -1.26 -3.83 105.19 113.33 3kcr n GLY 30 Ca 0.26 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 3kcr n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kcr s GLU 31 N -4.68 2.11 0.00 1.61 0.41 -1.26 -2.74 118.70 114.14 3kcr s GLU 31 Ca 0.00 -0.85 0.00 0.00 -0.41 0.00 0.00 54.97 53.71 3kcr s GLU 31 Cb 0.00 -1.94 0.00 0.00 -1.78 0.00 0.00 34.13 30.41 3kcr s GLU 31 CO 0.00 0.45 0.00 1.28 -0.49 0.00 0.00 175.26 176.50 3kcr n LEU 32 N 2.69 -1.92 -3.31 1.80 4.77 -0.23 -4.89 117.00 115.91 3kcr n LEU 32 Ca -0.16 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.72 3kcr n LEU 32 Cb 0.52 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 3kcr n LEU 32 CO 0.24 0.00 -0.07 -0.89 -1.33 0.00 0.00 177.39 175.34 3kcr s THR 33 N -0.25 -0.62 -0.06 -5.08 2.01 -0.14 -4.73 115.64 106.76 3kcr s THR 33 Ca 0.00 -0.28 -0.19 0.00 0.31 0.00 0.00 61.69 61.53 3kcr s THR 33 Cb 0.00 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 3kcr s THR 33 CO 0.00 -0.28 0.54 -0.60 -0.69 0.00 0.00 174.62 173.59 3kcr s ARG 34 N 2.53 4.31 -0.11 4.92 3.52 -1.25 -1.80 118.95 131.06 3kcr s ARG 34 Ca 0.10 0.60 -0.27 0.00 -0.13 0.00 0.00 55.73 56.03 3kcr s ARG 34 Cb -0.13 -3.38 0.06 0.00 -1.56 0.00 0.00 34.95 29.94 3kcr s ARG 34 CO -0.29 0.27 0.64 0.99 -0.81 0.00 0.00 175.30 176.10 3kcr s THR 35 N 0.19 0.01 0.18 4.11 2.01 0.06 -4.91 115.64 117.29 3kcr s THR 35 Ca 0.29 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.24 3kcr s THR 35 Cb -0.17 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 3kcr s THR 35 CO 0.14 -0.03 0.07 -1.48 -0.69 0.00 0.00 174.62 172.64 3kcr s LEU 36 N -0.70 1.63 0.39 4.42 2.34 -1.26 0.60 118.68 126.11 3kcr s LEU 36 Ca -0.08 -1.28 0.04 0.00 0.06 0.00 0.00 54.13 52.87 3kcr s LEU 36 Cb -0.02 0.22 -0.05 0.00 -0.56 0.00 0.00 46.19 45.78 3kcr s LEU 36 CO 0.06 -0.73 0.06 0.20 -1.06 0.00 0.00 176.35 174.88 3kcr s ASN 37 N -3.14 3.04 0.00 1.48 0.01 -1.25 -5.00 114.94 110.07 3kcr s ASN 37 Ca 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 52.86 50.96 3kcr s ASN 37 Cb 0.07 0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.84 3kcr s ASN 37 CO 0.07 -0.70 0.00 -0.67 -1.51 0.00 0.00 177.10 174.29 3kcr n ASP 38 N -0.99 0.00 0.08 -1.22 2.03 -1.26 -4.82 116.55 110.37 3kcr n ASP 38 Ca -0.06 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.12 3kcr n ASP 38 Cb 0.66 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.98 3kcr n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kcr h ALA 39 N 0.00 -0.25 -2.16 -1.67 0.00 -1.96 -3.43 119.26 109.78 3kcr h ALA 39 Ca 0.00 -0.21 -0.54 0.00 0.00 0.00 0.00 54.91 54.16 3kcr h ALA 39 Cb 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 3kcr h ALA 39 CO 0.00 -0.40 -0.60 0.14 0.00 0.00 0.00 179.25 178.39 3kcr s VAL 40 N -4.12 3.64 0.41 0.00 -7.23 -1.26 -1.49 120.40 110.35 3kcr s VAL 40 Ca -0.14 -1.76 -0.26 0.00 -1.81 0.00 0.00 61.98 58.01 3kcr s VAL 40 Cb 0.01 -2.99 -0.08 0.00 0.56 0.00 0.00 36.38 33.87 3kcr s VAL 40 CO 0.55 -0.35 1.26 -1.61 -0.31 0.00 0.00 175.10 174.64 3kcr s GLU 41 N -3.74 3.97 -0.18 4.82 2.02 -0.06 -4.37 118.70 121.17 3kcr s GLU 41 Ca 0.32 2.05 -0.17 0.00 0.02 0.00 0.00 54.97 57.20 3kcr s GLU 41 Cb -0.06 -2.72 0.05 0.00 0.10 0.00 0.00 34.13 31.49 3kcr s GLU 41 CO 0.21 -0.45 0.48 0.54 0.02 0.00 0.00 175.26 176.06 3kcr s VAL 42 N -1.31 0.00 -0.04 2.63 0.11 -1.22 -4.05 120.40 116.51 3kcr s VAL 42 Ca 0.57 -0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.52 3kcr s VAL 42 Cb -0.36 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 33.84 3kcr s VAL 42 CO 0.45 -0.00 0.23 -0.54 -3.33 0.00 0.00 175.10 171.91 3kcr s LYS 43 N 0.23 0.44 0.07 1.54 1.02 -1.26 -4.80 119.74 116.98 3kcr s LYS 43 Ca -0.00 -0.01 -0.21 0.00 0.02 0.00 0.00 55.97 55.77 3kcr s LYS 43 Cb -0.03 0.20 -0.12 0.00 -0.52 0.00 0.00 37.83 37.35 3kcr s LYS 43 CO 0.01 -0.09 1.58 1.25 -0.92 0.00 0.00 175.35 177.17 3kcr h HIS 44 N 4.86 0.21 0.00 3.18 -0.00 -1.96 -3.33 115.15 118.10 3kcr h HIS 44 Ca -0.28 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 3kcr h HIS 44 Cb 1.19 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 3kcr h HIS 44 CO 0.49 0.33 0.00 0.00 -0.00 0.00 0.00 177.93 178.75 3kcr n ALA 45 N -2.24 0.00 -0.06 5.26 0.00 -1.24 -0.68 120.51 121.55 3kcr n ALA 45 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3kcr n ALA 45 Cb 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.55 3kcr n ALA 45 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3kcr h ASP 46 N 0.00 0.30 0.00 0.00 -0.00 -2.03 -3.43 116.42 111.26 3kcr h ASP 46 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.03 56.89 3kcr h ASP 46 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.25 3kcr h ASP 46 CO 0.00 0.36 0.00 -0.46 -0.00 0.00 0.00 179.24 179.14 3kcr n ASN 47 N -4.83 0.00 -4.39 2.28 6.94 0.14 -5.07 115.26 110.33 3kcr n ASN 47 Ca -0.03 0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.21 3kcr n ASN 47 Cb 0.11 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.39 3kcr n ASN 47 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3kcr s THR 48 N 0.00 2.60 -0.15 5.53 -4.23 -0.09 -2.87 115.64 116.44 3kcr s THR 48 Ca 0.00 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 3kcr s THR 48 Cb 0.00 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.87 3kcr s THR 48 CO 0.00 0.58 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.72 3kcr s LEU 49 N -0.59 2.28 0.59 4.79 1.02 0.45 -3.70 118.68 123.52 3kcr s LEU 49 Ca 0.09 -0.55 -0.18 0.00 0.02 0.00 0.00 54.13 53.50 3kcr s LEU 49 Cb -0.11 -1.50 -0.04 0.00 0.02 0.00 0.00 46.19 44.56 3kcr s LEU 49 CO 0.00 0.07 1.14 0.42 0.02 0.00 0.00 176.35 178.00 3kcr s THR 50 N 0.88 3.07 0.33 5.49 -4.23 -1.26 -4.32 115.64 115.60 3kcr s THR 50 Ca -0.05 0.62 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 3kcr s THR 50 Cb -0.15 -3.20 -0.00 0.00 1.34 0.00 0.00 72.50 70.48 3kcr s THR 50 CO -0.02 -0.19 0.44 -0.36 -0.54 0.00 0.00 174.62 173.95 3kcr s PHE 51 N -1.89 1.06 0.00 3.99 0.08 -1.26 -3.45 117.98 116.51 3kcr s PHE 51 Ca 0.72 -1.28 0.00 0.00 0.12 0.00 0.00 56.93 56.50 3kcr s PHE 51 Cb -0.24 -0.13 0.00 0.00 -0.57 0.00 0.00 43.02 42.08 3kcr s PHE 51 CO 0.32 -1.08 0.00 0.41 -0.10 0.00 0.00 175.22 174.77 3kcr n GLY 52 N -0.54 -0.49 3.78 4.36 0.00 -1.26 -4.72 105.19 106.33 3kcr n GLY 52 Ca 0.01 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 3kcr n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kcr s PRO 53 N -1.04 4.20 0.70 1.61 0.04 -1.26 -0.88 135.00 138.36 3kcr s PRO 53 Ca 0.00 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 3kcr s PRO 53 Cb 0.00 -2.53 0.02 0.00 0.04 0.00 0.00 34.50 32.03 3kcr s PRO 53 CO 0.00 -0.10 1.21 1.03 0.04 0.00 0.00 177.00 179.18 3kcr s ARG 54 N -2.52 2.33 -0.03 4.56 0.52 -0.55 -4.31 118.95 118.94 3kcr s ARG 54 Ca 0.58 1.79 -0.15 0.00 -0.52 0.00 0.00 55.73 57.43 3kcr s ARG 54 Cb -0.21 -1.85 -0.05 0.00 0.52 0.00 0.00 34.95 33.36 3kcr s ARG 54 CO 0.26 -1.70 0.40 -0.51 0.02 0.00 0.00 175.30 173.78 3kcr s ASP 55 N -1.92 6.76 0.00 0.23 1.11 -1.26 -1.10 116.67 120.49 3kcr s ASP 55 Ca 0.75 0.91 0.00 0.00 0.18 0.00 0.00 52.55 54.39 3kcr s ASP 55 Cb -0.30 -2.25 0.00 0.00 1.07 0.00 0.00 42.92 41.44 3kcr s ASP 55 CO 0.43 0.27 0.00 0.61 1.18 0.00 0.00 175.17 177.66 3kcr n GLY 56 N 2.11 0.69 3.58 0.21 0.00 -1.26 -5.05 105.19 105.47 3kcr n GLY 56 Ca -0.13 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 3kcr n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kcr s TYR 57 N -2.00 0.55 0.00 1.61 1.51 -0.26 -5.05 117.35 113.71 3kcr s TYR 57 Ca 0.00 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 3kcr s TYR 57 Cb 0.00 0.17 0.00 0.00 -0.11 0.00 0.00 41.96 42.02 3kcr s TYR 57 CO 0.00 -1.09 0.17 0.00 -1.11 0.00 0.00 175.55 173.52 3kcr n ALA 58 N -0.45 0.69 -0.31 3.71 0.00 -1.26 -4.65 120.51 118.24 3kcr n ALA 58 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 3kcr n ALA 58 Cb 0.62 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.17 3kcr n ALA 58 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3kcr h ASP 59 N 0.00 0.92 -4.23 0.00 -0.00 -1.87 -3.44 116.42 107.80 3kcr h ASP 59 Ca 0.00 -0.01 -0.52 0.00 -0.00 0.00 0.00 57.03 56.50 3kcr h ASP 59 Cb 0.85 -0.21 0.15 0.00 -0.00 0.00 0.00 39.33 40.11 3kcr h ASP 59 CO 0.00 0.63 0.34 -0.83 -0.00 0.00 0.00 179.24 179.39 3kcr s GLY 60 N -3.06 2.05 0.00 7.15 0.00 -1.26 -2.85 107.32 109.35 3kcr s GLY 60 Ca -0.13 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.22 3kcr s GLY 60 CO 0.79 1.01 0.00 0.79 0.00 0.00 0.00 173.10 175.69 3kcr n TRP 61 N -3.08 0.00 -1.16 1.90 5.03 -1.26 -4.21 117.44 114.66 3kcr n TRP 61 Ca 0.12 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.65 3kcr n TRP 61 Cb 0.52 -0.08 0.00 0.00 -1.03 0.00 0.00 31.31 30.72 3kcr n TRP 61 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3kcr n ALA 62 N 0.13 0.41 -1.31 6.99 0.00 -1.13 -1.24 120.51 124.36 3kcr n ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kcr n ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kcr n ALA 62 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kcr n GLN 63 N 0.00 0.00 0.03 0.00 7.27 -1.16 -4.85 117.38 118.67 3kcr n GLN 63 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.12 3kcr n GLN 63 Cb 0.25 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.82 3kcr n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kcr n ALA 64 N 0.00 2.25 0.91 1.69 0.00 -1.26 -1.94 120.51 122.16 3kcr n ALA 64 Ca 0.00 -0.52 0.13 0.00 0.00 0.00 0.00 53.44 53.05 3kcr n ALA 64 Cb 0.12 -0.89 0.46 0.00 0.00 0.00 0.00 19.45 19.14 3kcr n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 65 N 1.34 -1.46 0.15 0.00 0.00 -1.26 -1.23 105.19 102.72 3kcr n GLY 65 Ca -0.08 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 3kcr n GLY 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kcr h THR 66 N 0.00 1.28 0.00 2.61 2.02 -1.87 -3.37 112.91 113.58 3kcr h THR 66 Ca 0.00 -2.69 -0.04 0.00 0.77 0.00 0.00 66.41 64.44 3kcr h THR 66 Cb 0.56 3.05 -0.01 0.00 -1.74 0.00 0.00 68.15 70.01 3kcr h THR 66 CO 0.00 0.81 -0.21 0.00 0.37 0.00 0.00 175.52 176.49 3kcr h ALA 67 N 0.15 0.93 -0.37 6.16 0.00 -1.19 -1.33 119.26 123.60 3kcr h ALA 67 Ca -0.26 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 3kcr h ALA 67 Cb 2.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 3kcr h ALA 67 CO 0.28 0.26 -0.38 -0.09 0.00 0.00 0.00 179.25 179.32 3kcr h ARG 68 N 0.00 0.92 0.00 0.00 1.12 -1.33 -3.04 114.38 112.05 3kcr h ARG 68 Ca -0.00 -0.48 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 3kcr h ARG 68 Cb 0.91 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.89 3kcr h ARG 68 CO 0.03 1.14 -1.44 0.00 -3.11 0.00 0.00 179.97 176.58 3kcr n ALA 69 N -2.54 3.23 -0.15 2.80 0.00 -1.05 -2.90 120.51 119.89 3kcr n ALA 69 Ca -0.02 -0.46 -0.05 0.00 0.00 0.00 0.00 53.44 52.90 3kcr n ALA 69 Cb 0.54 -0.86 0.12 0.00 0.00 0.00 0.00 19.45 19.25 3kcr n ALA 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kcr h LEU 70 N 0.00 0.87 -3.49 0.00 3.38 -1.24 -1.25 115.31 113.58 3kcr h LEU 70 Ca 0.00 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 3kcr h LEU 70 Cb 0.85 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 3kcr h LEU 70 CO 0.00 0.90 0.08 0.18 0.09 0.00 0.00 178.44 179.69 3kcr n LEU 71 N -4.22 5.01 -0.00 1.67 4.77 -1.15 -3.69 117.00 119.39 3kcr n LEU 71 Ca 0.03 -3.14 -0.01 0.00 -0.03 0.00 0.00 56.01 52.87 3kcr n LEU 71 Cb 0.29 -0.65 -0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3kcr n LEU 71 CO 0.42 0.76 -0.53 -3.20 -1.33 0.00 0.00 177.39 173.51 3kcr n ASN 72 N -0.21 4.15 0.21 -1.43 2.85 -0.99 -4.73 115.26 115.11 3kcr n ASN 72 Ca 0.30 -0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.90 3kcr n ASN 72 Cb 1.13 0.12 0.31 0.00 1.24 0.00 0.00 39.78 42.58 3kcr n ASN 72 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 3kcr h SER 73 N 0.00 0.00 0.00 1.20 4.64 -1.31 -2.84 113.55 115.24 3kcr h SER 73 Ca -0.02 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 3kcr h SER 73 Cb 1.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 3kcr h SER 73 CO -0.00 0.00 -1.94 1.15 -0.87 0.00 0.00 176.83 175.17 3kcr n MET 74 N -2.95 0.78 0.25 4.77 0.00 -1.26 -1.60 117.12 117.10 3kcr n MET 74 Ca 0.04 -0.11 -0.16 0.00 0.00 0.00 0.00 57.70 57.46 3kcr n MET 74 Cb 0.47 -1.43 -0.08 0.00 0.00 0.00 0.00 33.22 32.17 3kcr n MET 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3kcr h VAL 75 N 0.00 0.57 -0.14 3.17 2.07 -1.83 -0.17 116.25 119.92 3kcr h VAL 75 Ca -0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3kcr h VAL 75 Cb 1.23 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3kcr h VAL 75 CO 0.01 0.00 0.10 0.40 0.02 0.00 0.00 177.57 178.09 3kcr h ILE 76 N -0.58 0.95 -0.19 4.57 1.08 -1.57 -1.57 117.51 120.20 3kcr h ILE 76 Ca -0.06 -0.01 -0.13 0.00 -0.39 0.00 0.00 64.86 64.27 3kcr h ILE 76 Cb 0.45 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 3kcr h ILE 76 CO 0.09 0.01 -0.45 1.23 -0.69 0.00 0.00 178.15 178.33 3kcr h GLY 77 N 0.03 0.53 -2.94 5.37 0.00 -0.84 0.13 103.07 105.36 3kcr h GLY 77 Ca 0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 3kcr h GLY 77 CO -0.00 0.49 0.14 3.33 0.00 0.00 0.00 176.54 180.50 3kcr n VAL 78 N -4.00 2.08 0.00 4.60 0.24 -0.12 -3.31 118.33 117.82 3kcr n VAL 78 Ca -0.02 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.22 3kcr n VAL 78 Cb 0.53 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 3kcr n VAL 78 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3kcr n THR 79 N 0.10 0.00 -3.61 3.34 -2.24 -0.95 -1.40 114.28 109.51 3kcr n THR 79 Ca 0.26 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.88 3kcr n THR 79 Cb 1.03 -0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.85 3kcr n THR 79 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3kcr s GLU 80 N -1.59 0.89 0.80 -0.78 -1.05 -0.01 -4.70 118.70 112.26 3kcr s GLU 80 Ca 0.00 0.27 -0.07 0.00 -0.15 0.00 0.00 54.97 55.02 3kcr s GLU 80 Cb 0.00 0.42 0.14 0.00 -0.44 0.00 0.00 34.13 34.25 3kcr s GLU 80 CO 0.00 -0.24 1.11 0.20 0.95 0.00 0.00 175.26 177.27 3kcr s GLY 81 N -0.91 1.76 0.23 -3.83 0.00 -1.26 -4.08 107.32 99.22 3kcr s GLY 81 Ca -0.09 -1.39 -0.09 0.00 0.00 0.00 0.00 44.72 43.14 3kcr s GLY 81 CO 0.07 -0.79 0.36 -1.36 0.00 0.00 0.00 173.10 171.38 3kcr s PHE 82 N -3.42 0.60 -0.77 1.90 0.08 -0.97 -4.72 117.98 110.69 3kcr s PHE 82 Ca 0.68 -0.92 -0.03 0.00 0.12 0.00 0.00 56.93 56.77 3kcr s PHE 82 Cb -0.06 -0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.30 3kcr s PHE 82 CO 0.47 -0.86 0.69 2.41 -0.10 0.00 0.00 175.22 177.82 3kcr n THR 83 N -0.33 -7.77 0.13 0.64 -1.04 -1.26 -2.10 114.28 102.54 3kcr n THR 83 Ca -0.01 -0.84 0.04 0.00 -2.04 0.00 0.00 64.05 61.20 3kcr n THR 83 Cb 0.63 -5.94 0.07 0.00 -1.82 0.00 0.00 70.33 63.27 3kcr n THR 83 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3kcr n LYS 84 N -2.53 1.42 -4.00 -2.82 5.02 -1.26 -2.56 118.16 111.43 3kcr n LYS 84 Ca -0.04 -1.42 -0.27 0.00 -2.02 0.00 0.00 58.31 54.56 3kcr n LYS 84 Cb 0.57 -1.18 -0.17 0.00 -0.02 0.00 0.00 35.03 34.23 3kcr n LYS 84 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kcr s LYS 85 N -0.83 1.73 -0.36 1.97 2.20 -1.23 -3.72 119.74 119.51 3kcr s LYS 85 Ca 0.13 -0.34 0.07 0.00 -0.36 0.00 0.00 55.97 55.47 3kcr s LYS 85 Cb 0.08 -1.70 0.19 0.00 -1.51 0.00 0.00 37.83 34.89 3kcr s LYS 85 CO 0.11 -0.23 0.62 -0.51 -0.36 0.00 0.00 175.35 174.98 3kcr s LEU 86 N 1.56 -1.57 0.00 5.43 1.43 -1.07 -4.84 118.68 119.63 3kcr s LEU 86 Ca 0.03 -0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3kcr s LEU 86 Cb -0.13 1.98 0.00 0.00 0.03 0.00 0.00 46.19 48.08 3kcr s LEU 86 CO -0.08 -0.22 0.01 0.00 0.23 0.00 0.00 176.35 176.29 3kcr n GLN 87 N 4.85 0.18 -3.66 1.70 6.02 -1.25 -2.53 117.38 122.68 3kcr n GLN 87 Ca 0.08 -0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 57.01 3kcr n GLN 87 Cb 0.56 -0.01 -0.01 0.00 1.02 0.00 0.00 30.24 31.79 3kcr n GLN 87 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3kcr s LEU 88 N 0.00 -0.21 -0.29 1.08 2.34 -1.26 -4.31 118.68 116.03 3kcr s LEU 88 Ca 0.01 -0.24 -0.01 0.00 0.06 0.00 0.00 54.13 53.94 3kcr s LEU 88 Cb -0.00 1.98 0.05 0.00 -0.56 0.00 0.00 46.19 47.66 3kcr s LEU 88 CO 0.00 -0.72 -0.02 -0.69 -1.06 0.00 0.00 176.35 173.87 3kcr s VAL 89 N -3.08 2.85 0.00 1.48 1.01 -1.17 -4.84 120.40 116.64 3kcr s VAL 89 Ca 0.10 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.68 3kcr s VAL 89 Cb -0.00 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3kcr s VAL 89 CO -0.02 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3kcr n GLY 90 N 4.59 4.35 0.37 4.51 0.00 -1.26 -4.17 105.19 113.59 3kcr n GLY 90 Ca -0.13 -1.24 0.07 0.00 0.00 0.00 0.00 46.02 44.72 3kcr n GLY 90 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kcr n VAL 91 N -1.26 0.00 1.52 1.61 0.24 -1.26 -3.23 118.33 115.96 3kcr n VAL 91 Ca 0.00 -0.39 0.14 0.00 -2.04 0.00 0.00 64.34 62.05 3kcr n VAL 91 Cb 0.00 1.19 0.63 0.00 -1.47 0.00 0.00 33.84 34.19 3kcr n VAL 91 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kcr n GLY 92 N 0.99 -0.68 0.42 7.63 0.00 -1.26 -2.29 105.19 110.01 3kcr n GLY 92 Ca 0.06 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.85 3kcr n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kcr n TYR 93 N -0.64 0.00 -4.18 1.61 0.53 -1.22 -4.43 117.16 108.82 3kcr n TYR 93 Ca 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.05 3kcr n TYR 93 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.58 3kcr n TYR 93 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3kcr n ARG 94 N 0.10 0.00 0.00 -0.72 1.74 -0.97 -3.94 116.66 112.87 3kcr n ARG 94 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3kcr n ARG 94 Cb 0.35 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 3kcr n ARG 94 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kcr n ALA 95 N 3.86 0.00 -1.57 7.54 0.00 -0.77 -4.43 120.51 125.14 3kcr n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kcr n ALA 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kcr n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr n ALA 96 N 0.04 1.48 -0.63 0.00 0.00 -1.26 -2.34 120.51 117.79 3kcr n ALA 96 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3kcr n ALA 96 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3kcr n ALA 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kcr n VAL 97 N 0.00 -1.84 -2.77 0.00 0.31 -1.26 -4.94 118.33 107.82 3kcr n VAL 97 Ca 0.00 0.75 -0.09 0.00 -0.01 0.00 0.00 64.34 64.99 3kcr n VAL 97 Cb 0.58 -1.13 0.06 0.00 -0.91 0.00 0.00 33.84 32.44 3kcr n VAL 97 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3kcr n LYS 98 N -1.52 0.89 0.00 5.55 2.85 -0.67 -4.74 118.16 120.53 3kcr n LYS 98 Ca 0.00 -1.93 0.00 0.00 -1.05 0.00 0.00 58.31 55.33 3kcr n LYS 98 Cb 0.11 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 3kcr n LYS 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kcr n GLY 99 N 1.00 -0.55 0.09 2.58 0.00 -1.26 -3.97 105.19 103.08 3kcr n GLY 99 Ca 0.09 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 3kcr n GLY 99 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kcr h ASN 100 N 6.11 0.17 -4.11 1.61 -0.26 -1.94 -3.42 115.58 113.74 3kcr h ASN 100 Ca 0.00 -0.28 -0.54 0.00 -0.56 0.00 0.00 56.30 54.92 3kcr h ASN 100 Cb 0.00 -0.05 0.18 0.00 -1.06 0.00 0.00 38.32 37.40 3kcr h ASN 100 CO 0.00 0.41 0.31 1.33 -1.06 0.00 0.00 177.43 178.41 3kcr n VAL 101 N -4.84 2.46 -4.01 2.81 0.24 -1.25 0.07 118.33 113.81 3kcr n VAL 101 Ca -0.06 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 61.88 3kcr n VAL 101 Cb 0.18 -1.21 -0.07 0.00 -1.47 0.00 0.00 33.84 31.27 3kcr n VAL 101 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3kcr s ILE 102 N -2.00 0.04 -0.35 1.34 1.01 0.84 -1.67 121.20 120.41 3kcr s ILE 102 Ca 0.74 -1.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.69 3kcr s ILE 102 Cb -0.31 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3kcr s ILE 102 CO 0.50 -0.18 0.62 0.20 0.00 0.00 0.00 174.94 176.07 3kcr s ASN 103 N -3.01 6.41 -0.16 3.58 0.01 -1.26 -1.76 114.94 118.76 3kcr s ASN 103 Ca 0.22 0.14 -0.18 0.00 -0.71 0.00 0.00 52.86 52.32 3kcr s ASN 103 Cb 0.03 -2.32 0.05 0.00 0.41 0.00 0.00 41.25 39.42 3kcr s ASN 103 CO 0.04 -0.57 0.50 -0.22 -1.51 0.00 0.00 177.10 175.34 3kcr s LEU 104 N 2.65 0.09 -0.02 0.60 1.98 -1.25 -1.85 118.68 120.88 3kcr s LEU 104 Ca 0.24 0.88 -0.21 0.00 -2.89 0.00 0.00 54.13 52.14 3kcr s LEU 104 Cb -0.15 1.75 0.04 0.00 0.66 0.00 0.00 46.19 48.50 3kcr s LEU 104 CO 0.14 -0.25 0.46 -0.44 -1.89 0.00 0.00 176.35 174.37 3kcr s SER 105 N -0.06 -0.37 -0.12 3.68 0.01 -1.26 -0.63 113.70 114.96 3kcr s SER 105 Ca -0.03 0.31 0.17 0.00 1.31 0.00 0.00 55.95 57.71 3kcr s SER 105 Cb -0.03 0.41 0.26 0.00 0.21 0.00 0.00 66.02 66.87 3kcr s SER 105 CO 0.02 -0.53 1.14 0.18 0.41 0.00 0.00 173.24 174.46 3kcr n LEU 106 N 1.04 2.36 0.00 2.44 4.32 -1.26 -4.13 117.00 121.77 3kcr n LEU 106 Ca -0.20 -2.96 0.00 0.00 -0.02 0.00 0.00 56.01 52.83 3kcr n LEU 106 Cb 0.57 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 3kcr n LEU 106 CO 0.22 0.68 0.00 0.61 -1.22 0.00 0.00 177.39 177.69 3kcr n GLY 107 N -1.29 1.09 3.77 -0.72 0.00 -1.26 -4.97 105.19 101.81 3kcr n GLY 107 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3kcr n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcr s PHE 108 N -2.00 3.73 -1.13 1.61 2.99 -1.26 -4.94 117.98 116.97 3kcr s PHE 108 Ca 0.00 1.80 -0.07 0.00 0.00 0.00 0.00 56.93 58.66 3kcr s PHE 108 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 43.02 40.00 3kcr s PHE 108 CO 0.00 0.15 2.89 0.43 -0.00 0.00 0.00 175.22 178.69 3kcr n SER 109 N 0.78 7.71 0.00 1.36 7.64 -1.26 -4.41 113.62 125.45 3kcr n SER 109 Ca 0.01 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.10 3kcr n SER 109 Cb 0.49 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 3kcr n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kcr n HIS 110 N 2.55 0.00 -0.55 1.43 -0.00 -1.26 -5.15 115.22 112.24 3kcr n HIS 110 Ca 0.65 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 58.08 3kcr n HIS 110 Cb 0.39 0.00 0.23 0.00 -0.00 0.00 0.00 29.99 30.61 3kcr n HIS 110 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3kcr s PRO 111 N -0.29 -0.43 0.00 -1.40 0.02 -1.26 -4.78 135.00 126.85 3kcr s PRO 111 Ca 0.00 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.11 3kcr s PRO 111 Cb 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 34.50 32.93 3kcr s PRO 111 CO 0.00 -3.47 0.00 1.55 -0.33 0.00 0.00 177.00 174.75 3kcr n VAL 112 N -4.77 0.00 -3.22 3.83 3.14 -0.97 -5.00 118.33 111.33 3kcr n VAL 112 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 3kcr n VAL 112 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 3kcr n VAL 112 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3kcr n ASP 113 N -0.02 -1.14 0.00 6.55 9.92 0.20 -4.93 116.55 127.12 3kcr n ASP 113 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3kcr n ASP 113 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3kcr n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kcr n HIS 114 N 0.00 0.00 -3.40 1.24 1.44 -0.72 -4.57 115.22 109.20 3kcr n HIS 114 Ca 0.00 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.33 3kcr n HIS 114 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 3kcr n HIS 114 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 3kcr s GLN 115 N 0.00 4.09 -0.28 -1.40 0.74 -1.26 -0.11 119.66 121.43 3kcr s GLN 115 Ca 0.00 0.50 -0.00 0.00 0.05 0.00 0.00 55.36 55.91 3kcr s GLN 115 Cb 0.00 -3.27 0.08 0.00 1.10 0.00 0.00 33.01 30.92 3kcr s GLN 115 CO 0.00 0.56 0.04 -0.51 -0.55 0.00 0.00 175.29 174.83 3kcr s LEU 116 N -0.69 2.54 -0.00 3.68 1.43 0.11 -4.87 118.68 120.87 3kcr s LEU 116 Ca 0.25 -1.48 0.11 0.00 -1.03 0.00 0.00 54.13 51.98 3kcr s LEU 116 Cb -0.17 -1.02 -0.13 0.00 0.03 0.00 0.00 46.19 44.90 3kcr s LEU 116 CO 0.14 -0.35 0.40 -0.81 0.23 0.00 0.00 176.35 175.96 3kcr n PRO 117 N 4.75 2.70 0.00 1.29 -0.04 -1.26 -1.31 135.00 141.12 3kcr n PRO 117 Ca -0.05 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 3kcr n PRO 117 Cb 0.43 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 3kcr n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kcr n ALA 118 N -1.41 0.00 0.10 0.55 0.00 -1.26 -4.33 120.51 114.17 3kcr n ALA 118 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 3kcr n ALA 118 Cb 0.20 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.78 3kcr n ALA 118 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kcr h GLY 119 N 0.00 0.18 -5.08 0.00 0.00 -1.90 -3.36 103.07 92.92 3kcr h GLY 119 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 3kcr h GLY 119 CO 0.00 0.21 -0.23 -1.50 0.00 0.00 0.00 176.54 175.02 3kcr s ILE 120 N -3.70 0.01 0.46 2.60 1.10 -1.26 -4.56 121.20 115.85 3kcr s ILE 120 Ca -0.03 -0.08 -0.23 0.00 -0.51 0.00 0.00 60.65 59.80 3kcr s ILE 120 Cb 0.12 -0.60 -0.07 0.00 0.15 0.00 0.00 42.46 42.06 3kcr s ILE 120 CO 0.79 -0.04 1.17 -0.89 -2.11 0.00 0.00 174.94 173.86 3kcr s THR 121 N -0.08 3.09 -0.38 4.00 2.01 -1.26 -4.49 115.64 118.53 3kcr s THR 121 Ca -0.03 0.82 -0.35 0.00 0.31 0.00 0.00 61.69 62.44 3kcr s THR 121 Cb -0.03 -3.42 -0.15 0.00 0.01 0.00 0.00 72.50 68.91 3kcr s THR 121 CO 0.01 -0.00 1.22 0.00 -0.69 0.00 0.00 174.62 175.16 3kcr n ALA 122 N -0.46 -1.01 -3.32 7.40 0.00 -0.43 -4.86 120.51 117.83 3kcr n ALA 122 Ca 0.07 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 3kcr n ALA 122 Cb 0.48 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.40 3kcr n ALA 122 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3kcr s GLU 123 N 2.30 0.76 0.10 0.00 -1.05 -1.26 -5.01 118.70 114.54 3kcr s GLU 123 Ca 0.80 -0.01 -0.25 0.00 -0.15 0.00 0.00 54.97 55.35 3kcr s GLU 123 Cb -1.13 0.35 0.08 0.00 -0.44 0.00 0.00 34.13 32.99 3kcr s GLU 123 CO 0.62 -0.21 0.71 0.00 0.95 0.00 0.00 175.26 177.32 3kcr h PRO 125 N 2.00 0.26 -3.57 0.00 0.13 -1.88 -3.47 132.00 125.48 3kcr h PRO 125 Ca -0.29 -0.45 -0.10 0.00 -0.87 0.00 0.00 66.00 64.29 3kcr h PRO 125 Cb 1.28 0.17 -0.06 0.00 0.13 0.00 0.00 31.00 32.52 3kcr h PRO 125 CO 0.35 1.12 -0.01 0.95 -0.23 0.00 0.00 178.00 180.18 3kcr s THR 126 N -2.60 0.00 -2.06 1.56 -4.23 -1.09 -5.00 115.64 102.22 3kcr s THR 126 Ca -0.12 -1.33 0.15 0.00 -1.18 0.00 0.00 61.69 59.22 3kcr s THR 126 Cb 0.07 -2.46 0.41 0.00 1.34 0.00 0.00 72.50 71.85 3kcr s THR 126 CO 0.84 0.00 1.37 0.00 -0.54 0.00 0.00 174.62 176.29 3kcr n GLN 127 N -0.48 2.02 0.00 3.99 6.02 -0.99 -3.60 117.38 124.35 3kcr n GLN 127 Ca -0.03 -1.58 0.00 0.00 -0.01 0.00 0.00 57.00 55.39 3kcr n GLN 127 Cb 0.61 -1.36 -0.00 0.00 1.02 0.00 0.00 30.24 30.50 3kcr n GLN 127 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3kcr n THR 128 N 0.78 0.00 -3.60 5.09 -2.24 -1.26 -4.10 114.28 108.95 3kcr n THR 128 Ca 0.15 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 3kcr n THR 128 Cb 0.38 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.56 3kcr n THR 128 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kcr s GLU 129 N -0.91 0.49 -0.03 -0.78 -6.30 -1.24 -4.50 118.70 105.43 3kcr s GLU 129 Ca 0.00 0.22 -0.01 0.00 -2.50 0.00 0.00 54.97 52.68 3kcr s GLU 129 Cb 0.00 0.23 0.03 0.00 0.00 0.00 0.00 34.13 34.40 3kcr s GLU 129 CO 0.01 -0.13 0.06 0.42 0.02 0.00 0.00 175.26 175.64 3kcr s ILE 130 N -0.77 -0.06 -0.08 -3.70 1.01 -1.05 -2.67 121.20 113.89 3kcr s ILE 130 Ca 0.01 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.88 3kcr s ILE 130 Cb -0.02 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.31 3kcr s ILE 130 CO -0.02 0.09 -0.09 -0.69 0.00 0.00 0.00 174.94 174.23 3kcr s VAL 131 N 1.10 3.55 0.00 2.92 1.01 -1.24 -2.60 120.40 125.13 3kcr s VAL 131 Ca -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3kcr s VAL 131 Cb -0.13 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.80 3kcr s VAL 131 CO -0.04 0.58 0.00 0.18 0.00 0.00 0.00 175.10 175.82 3kcr n LEU 132 N 2.47 0.00 -3.63 3.92 4.77 -1.06 -4.42 117.00 119.04 3kcr n LEU 132 Ca -0.18 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 3kcr n LEU 132 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3kcr n LEU 132 CO 0.27 0.00 0.39 -1.59 -1.33 0.00 0.00 177.39 175.14 3kcr s LYS 133 N -0.95 1.47 0.00 3.23 -2.85 -0.89 -4.48 119.74 115.27 3kcr s LYS 133 Ca 0.00 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 3kcr s LYS 133 Cb 0.00 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 3kcr s LYS 133 CO 0.00 -0.65 0.00 0.41 0.10 0.00 0.00 175.35 175.21 3kcr n GLY 134 N -0.40 1.10 0.99 0.59 0.00 -1.24 -4.11 105.19 102.12 3kcr n GLY 134 Ca -0.11 -0.89 0.10 0.00 0.00 0.00 0.00 46.02 45.12 3kcr n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr n ALA 135 N -0.38 2.40 -3.46 4.61 0.00 -1.26 -2.29 120.51 120.13 3kcr n ALA 135 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 53.44 52.38 3kcr n ALA 135 Cb 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 3kcr n ALA 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kcr s ASP 136 N -1.37 -0.52 0.00 0.00 1.01 -1.26 -3.82 116.67 110.71 3kcr s ASP 136 Ca 0.33 0.07 0.27 0.00 0.71 0.00 0.00 52.55 53.92 3kcr s ASP 136 Cb 0.19 0.53 0.78 0.00 1.01 0.00 0.00 42.92 45.43 3kcr s ASP 136 CO 0.27 -0.83 1.58 1.17 0.21 0.00 0.00 175.17 177.57 3kcr n LYS 137 N -0.20 0.85 0.14 8.23 4.81 -1.26 -3.67 118.16 127.05 3kcr n LYS 137 Ca -0.15 -0.50 -0.14 0.00 -0.87 0.00 0.00 58.31 56.66 3kcr n LYS 137 Cb 0.63 -1.49 -0.08 0.00 0.02 0.00 0.00 35.03 34.11 3kcr n LYS 137 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3kcr h GLN 138 N 1.21 -0.31 0.00 1.64 4.15 -1.95 -0.44 115.11 119.41 3kcr h GLN 138 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3kcr h GLN 138 Cb 0.50 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.26 3kcr h GLN 138 CO 0.00 -0.09 0.00 1.33 -1.93 0.00 0.00 178.83 178.14 3kcr n VAL 139 N -5.16 0.58 -3.15 2.39 0.24 -1.24 -0.99 118.33 111.00 3kcr n VAL 139 Ca -0.09 -0.26 -0.25 0.00 -2.04 0.00 0.00 64.34 61.70 3kcr n VAL 139 Cb 0.20 -0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 31.92 3kcr n VAL 139 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3kcr n ILE 140 N -2.23 1.67 -0.31 1.34 -5.35 -1.22 -3.10 119.36 110.16 3kcr n ILE 140 Ca 0.06 -5.06 0.00 0.00 -0.27 0.00 0.00 62.75 57.47 3kcr n ILE 140 Cb 0.42 -1.39 0.00 0.00 -1.74 0.00 0.00 39.64 36.93 3kcr n ILE 140 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kcr n GLY 141 N 0.36 0.33 0.44 3.28 0.00 -0.17 -4.36 105.19 105.06 3kcr n GLY 141 Ca 0.28 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.35 3kcr n GLY 141 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kcr n GLN 142 N 0.00 0.81 0.00 1.61 6.02 -0.16 -4.47 117.38 121.19 3kcr n GLN 142 Ca 0.00 -1.25 0.00 0.00 -0.01 0.00 0.00 57.00 55.74 3kcr n GLN 142 Cb 0.00 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.05 3kcr n GLN 142 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3kcr n VAL 143 N 0.57 0.00 -4.79 5.09 0.24 -1.18 -5.01 118.33 113.25 3kcr n VAL 143 Ca 0.07 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.04 3kcr n VAL 143 Cb 0.28 -0.07 -0.16 0.00 -1.47 0.00 0.00 33.84 32.42 3kcr n VAL 143 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kcr s ALA 144 N -0.87 2.36 -0.24 2.33 0.00 -1.26 -3.96 121.76 120.12 3kcr s ALA 144 Ca 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 3kcr s ALA 144 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.07 3kcr s ALA 144 CO 0.00 0.10 0.03 0.00 0.00 0.00 0.00 175.76 175.89 3kcr n ALA 145 N 3.84 -0.11 -0.55 0.00 0.00 -1.26 -3.10 120.51 119.33 3kcr n ALA 145 Ca -0.19 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3kcr n ALA 145 Cb 0.52 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3kcr n ALA 145 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kcr n ASP 146 N 1.32 0.87 0.06 0.00 9.92 -1.25 -4.77 116.55 122.69 3kcr n ASP 146 Ca -0.03 -1.42 -0.14 0.00 -0.53 0.00 0.00 54.79 52.67 3kcr n ASP 146 Cb 0.52 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.96 3kcr n ASP 146 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3kcr h LEU 147 N 0.00 0.58 -1.87 0.64 3.38 -1.81 -3.30 115.31 112.93 3kcr h LEU 147 Ca 0.00 -0.45 0.27 0.00 0.09 0.00 0.00 57.88 57.79 3kcr h LEU 147 Cb 0.75 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3kcr h LEU 147 CO 0.00 1.25 0.77 0.08 0.09 0.00 0.00 178.44 180.62 3kcr h ARG 148 N 0.26 0.00 0.00 1.13 0.11 -1.71 -2.91 114.38 111.26 3kcr h ARG 148 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 3kcr h ARG 148 Cb 1.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.63 3kcr h ARG 148 CO 0.16 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.23 3kcr n ALA 149 N -2.58 1.85 0.11 0.08 0.00 -1.24 -2.26 120.51 116.48 3kcr n ALA 149 Ca 0.19 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.68 3kcr n ALA 149 Cb 1.08 -1.16 -0.12 0.00 0.00 0.00 0.00 19.45 19.25 3kcr n ALA 149 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kcr n TYR 150 N -1.02 0.20 0.00 0.00 4.01 -1.10 -4.71 117.16 114.54 3kcr n TYR 150 Ca 0.07 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3kcr n TYR 150 Cb 0.04 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.52 3kcr n TYR 150 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3kcr n ARG 151 N -2.27 0.00 -2.41 -0.72 3.00 -1.23 -4.94 116.66 108.09 3kcr n ARG 151 Ca -0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.48 3kcr n ARG 151 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.98 3kcr n ARG 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3kcr s ARG 152 N 0.00 3.64 0.82 -0.14 3.52 -0.96 0.17 118.95 126.00 3kcr s ARG 152 Ca 0.00 1.50 -0.10 0.00 -0.13 0.00 0.00 55.73 57.00 3kcr s ARG 152 Cb 0.00 -2.11 0.09 0.00 -1.56 0.00 0.00 34.95 31.37 3kcr s ARG 152 CO 0.00 -0.59 1.11 -1.25 -0.81 0.00 0.00 175.30 173.76 3kcr s PRO 153 N -3.17 1.83 0.33 5.12 0.05 -1.18 -4.27 135.00 133.71 3kcr s PRO 153 Ca 0.69 1.30 -0.18 0.00 0.05 0.00 0.00 61.00 62.86 3kcr s PRO 153 Cb -0.21 -1.84 0.04 0.00 0.05 0.00 0.00 34.50 32.54 3kcr s PRO 153 CO 0.24 -1.98 0.74 -1.21 0.05 0.00 0.00 177.00 174.84 3kcr s GLU 154 N -4.82 2.01 0.00 4.56 0.41 -0.78 -4.39 118.70 115.69 3kcr s GLU 154 Ca 0.63 -1.24 0.16 0.00 -0.41 0.00 0.00 54.97 54.11 3kcr s GLU 154 Cb -0.19 0.61 -0.01 0.00 -1.78 0.00 0.00 34.13 32.76 3kcr s GLU 154 CO 0.57 -0.93 0.83 -0.35 -0.49 0.00 0.00 175.26 174.89 3kcr n PRO 155 N -0.49 1.72 -0.16 0.39 -0.04 -1.24 -2.81 135.00 132.35 3kcr n PRO 155 Ca -0.06 -0.78 -0.09 0.00 -0.04 0.00 0.00 63.50 62.54 3kcr n PRO 155 Cb 0.60 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 3kcr n PRO 155 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3kcr h TYR 156 N 1.70 0.71 0.00 0.54 0.99 -1.93 -3.25 116.97 115.73 3kcr h TYR 156 Ca 0.00 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 3kcr h TYR 156 Cb 0.52 -0.21 -0.00 0.00 1.00 0.00 0.00 36.73 38.04 3kcr h TYR 156 CO 0.00 0.61 -1.44 1.63 -0.00 0.00 0.00 178.16 178.97 3kcr n LYS 157 N -4.58 0.62 -0.73 4.88 5.02 -1.26 -5.03 118.16 117.09 3kcr n LYS 157 Ca 0.01 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3kcr n LYS 157 Cb 0.16 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 3kcr n LYS 157 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kcr n GLY 158 N 2.06 0.96 3.48 0.72 0.00 -1.16 -5.07 105.19 106.18 3kcr n GLY 158 Ca -0.03 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 3kcr n GLY 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kcr s LYS 159 N -1.71 1.32 0.00 1.61 -2.85 -1.12 -4.83 119.74 112.15 3kcr s LYS 159 Ca 0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 3kcr s LYS 159 Cb 0.00 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 3kcr s LYS 159 CO 0.00 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 175.29 3kcr n GLY 160 N -0.35 4.69 3.70 0.59 0.00 -1.26 -3.34 105.19 109.22 3kcr n GLY 160 Ca -0.14 -1.19 -0.44 0.00 0.00 0.00 0.00 46.02 44.25 3kcr n GLY 160 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kcr n VAL 161 N -1.92 0.13 -4.31 1.61 0.31 0.13 -3.06 118.33 111.22 3kcr n VAL 161 Ca 0.00 -0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 64.05 3kcr n VAL 161 Cb 0.00 -1.75 -0.08 0.00 -0.91 0.00 0.00 33.84 31.09 3kcr n VAL 161 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kcr s ARG 162 N 0.83 2.17 0.17 5.55 1.70 -1.26 -3.12 118.95 124.99 3kcr s ARG 162 Ca 0.75 -1.39 -0.14 0.00 -0.47 0.00 0.00 55.73 54.48 3kcr s ARG 162 Cb -0.59 -2.13 0.09 0.00 -0.57 0.00 0.00 34.95 31.75 3kcr s ARG 162 CO 0.37 0.39 1.81 0.10 -1.08 0.00 0.00 175.30 176.88 3kcr h TYR 163 N 2.27 0.54 0.00 5.89 -0.00 -1.82 -3.32 116.97 120.53 3kcr h TYR 163 Ca -0.45 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 3kcr h TYR 163 Cb 1.23 -0.17 0.00 0.00 -0.00 0.00 0.00 36.73 37.79 3kcr h TYR 163 CO 0.68 0.31 0.00 0.00 -0.00 0.00 0.00 178.16 179.15 3kcr n ALA 164 N -2.27 0.00 -3.58 0.10 0.00 -1.26 -3.87 120.51 109.62 3kcr n ALA 164 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 3kcr n ALA 164 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 3kcr n ALA 164 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kcr s ASP 165 N 0.00 -0.35 0.60 0.00 1.47 -1.26 -4.06 116.67 113.06 3kcr s ASP 165 Ca 0.00 -0.16 -0.17 0.00 1.18 0.00 0.00 52.55 53.40 3kcr s ASP 165 Cb 0.00 0.49 -0.03 0.00 -0.34 0.00 0.00 42.92 43.04 3kcr s ASP 165 CO 0.00 -0.83 1.10 -1.61 0.68 0.00 0.00 175.17 174.51 3kcr s GLU 166 N -3.37 3.15 -0.07 2.11 0.41 -1.26 -4.78 118.70 114.89 3kcr s GLU 166 Ca 0.07 1.43 0.05 0.00 -0.41 0.00 0.00 54.97 56.10 3kcr s GLU 166 Cb -0.02 -1.99 -0.00 0.00 -1.78 0.00 0.00 34.13 30.34 3kcr s GLU 166 CO -0.06 -0.97 -0.22 0.08 -0.49 0.00 0.00 175.26 173.60 3kcr s VAL 167 N -2.14 1.83 -0.36 2.63 1.01 -1.26 -5.04 120.40 117.06 3kcr s VAL 167 Ca 0.68 -0.92 0.13 0.00 0.00 0.00 0.00 61.98 61.88 3kcr s VAL 167 Cb -0.20 -1.58 0.39 0.00 0.00 0.00 0.00 36.38 34.99 3kcr s VAL 167 CO 0.34 0.51 0.89 1.33 0.00 0.00 0.00 175.10 178.17 3kcr n VAL 168 N 3.31 0.26 -2.59 2.92 0.24 -1.26 -1.86 118.33 119.34 3kcr n VAL 168 Ca -0.19 -3.52 -0.43 0.00 -2.04 0.00 0.00 64.34 58.16 3kcr n VAL 168 Cb 0.52 0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 33.20 3kcr n VAL 168 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3kcr s ARG 169 N -2.21 3.86 -0.34 7.34 0.52 -1.26 -4.78 118.95 122.08 3kcr s ARG 169 Ca 0.32 0.82 -0.12 0.00 -0.52 0.00 0.00 55.73 56.23 3kcr s ARG 169 Cb 0.39 -3.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 3kcr s ARG 169 CO -0.04 -1.19 0.21 0.99 0.02 0.00 0.00 175.30 175.30 3kcr s THR 170 N 4.19 4.99 0.00 0.02 2.01 -1.26 -4.38 115.64 121.21 3kcr s THR 170 Ca 0.48 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.11 3kcr s THR 170 Cb -0.10 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.82 3kcr s THR 170 CO 0.25 -0.03 0.83 0.29 -0.69 0.00 0.00 174.62 175.27 3kcr n LYS 171 N 5.06 0.00 -0.10 4.92 4.76 -1.26 -5.10 118.16 126.44 3kcr n LYS 171 Ca -0.13 -0.68 -0.09 0.00 -2.87 0.00 0.00 58.31 54.54 3kcr n LYS 171 Cb 0.49 -0.34 0.09 0.00 -1.84 0.00 0.00 35.03 33.43 3kcr n LYS 171 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3kcr n GLU 172 N 0.00 -2.46 -3.88 1.97 0.28 -1.26 -5.06 120.64 110.24 3kcr n GLU 172 Ca 0.00 -0.45 -0.34 0.00 -0.16 0.00 0.00 57.16 56.21 3kcr n GLU 172 Cb 0.63 -0.62 -0.05 0.00 1.43 0.00 0.00 31.44 32.83 3kcr n GLU 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kcr s ALA 173 N -2.03 3.92 0.21 -1.84 0.00 -1.26 -5.04 121.76 115.72 3kcr s ALA 173 Ca 0.21 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 3kcr s ALA 173 Cb -0.04 -1.93 0.25 0.00 0.00 0.00 0.00 23.12 21.40 3kcr s ALA 173 CO 0.17 0.70 1.78 0.87 0.00 0.00 0.00 175.76 179.28 3kcr h LYS 174 N 4.11 0.53 -6.34 0.00 1.57 -2.04 -3.36 116.57 111.04 3kcr h LYS 174 Ca -0.50 -0.03 -0.60 0.00 -1.87 0.00 0.00 60.65 57.64 3kcr h LYS 174 Cb 1.20 -0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.28 3kcr h LYS 174 CO 0.66 0.35 -0.66 0.21 -0.57 0.00 0.00 179.45 179.44 3kcr s LYS 175 N -6.09 2.40 0.00 3.15 2.47 -1.26 -5.22 119.74 115.18 3kcr s LYS 175 Ca -0.13 -1.11 0.02 0.00 -1.56 0.00 0.00 55.97 53.20 3kcr s LYS 175 Cb 0.16 -2.36 0.02 0.00 -1.46 0.00 0.00 37.83 34.20 3kcr s LYS 175 CO 0.75 0.46 0.58 1.63 0.16 0.00 0.00 175.35 178.92