#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kff h ILE 17 N 0.00 1.27 -2.83 -0.61 2.04 -1.97 -3.44 117.51 111.96 1kff h ILE 17 Ca 0.00 -1.33 -0.54 0.00 1.00 0.00 0.00 64.86 64.00 1kff h ILE 17 Cb 0.00 1.16 0.07 0.00 -0.74 0.00 0.00 36.82 37.31 1kff h ILE 17 CO 0.00 0.45 0.92 0.41 0.00 0.00 0.00 178.15 179.93 1kff n THR 18 N -4.12 0.41 -1.08 -0.27 -1.04 -1.26 -4.77 114.28 102.15 1kff n THR 18 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1kff n THR 18 Cb 0.43 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 1kff n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kff n GLY 19 N 3.18 0.56 3.08 3.41 0.00 0.77 -4.96 105.19 111.24 1kff n GLY 19 Ca 0.13 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 1kff n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kff s THR 20 N -3.03 2.06 0.24 2.61 2.01 -1.26 -0.82 115.64 117.45 1kff s THR 20 Ca 0.00 -1.29 0.11 0.00 0.31 0.00 0.00 61.69 60.82 1kff s THR 20 Cb 0.00 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 1kff s THR 20 CO 0.00 0.22 -0.20 0.26 -0.69 0.00 0.00 174.62 174.21 1kff s TRP 21 N 1.21 2.17 0.00 4.92 0.52 -0.18 -4.53 118.94 123.06 1kff s TRP 21 Ca -0.03 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.73 1kff s TRP 21 Cb -0.17 -0.98 -0.01 0.00 -1.15 0.00 0.00 33.47 31.16 1kff s TRP 21 CO -0.08 0.60 -0.06 0.71 0.02 0.00 0.00 176.95 178.13 1kff s TYR 22 N -2.38 0.55 0.66 -1.98 1.51 -0.15 -0.27 117.35 115.30 1kff s TYR 22 Ca 0.26 -0.15 0.06 0.00 -1.01 0.00 0.00 57.07 56.22 1kff s TYR 22 Cb -0.05 -0.35 0.12 0.00 -0.11 0.00 0.00 41.96 41.57 1kff s TYR 22 CO 0.12 -0.02 0.92 0.54 -1.11 0.00 0.00 175.55 176.00 1kff s ASN 23 N -0.34 4.65 0.56 2.29 4.22 -0.94 -1.80 114.94 123.58 1kff s ASN 23 Ca 0.01 -0.74 0.36 0.00 -2.14 0.00 0.00 52.86 50.34 1kff s ASN 23 Cb -0.03 0.36 1.60 0.00 1.28 0.00 0.00 41.25 44.45 1kff s ASN 23 CO -0.00 -1.68 2.06 0.06 -2.04 0.00 0.00 177.10 175.49 1kff h GLN 24 N -0.21 0.00 -0.01 3.55 -0.00 -1.90 -3.02 115.11 113.51 1kff h GLN 24 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.34 1kff h GLN 24 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1kff h GLN 24 CO 0.39 0.00 -0.32 1.28 -0.00 0.00 0.00 178.83 180.17 1kff n LEU 25 N -3.02 1.47 0.00 0.06 4.77 -1.26 -4.98 117.00 114.03 1kff n LEU 25 Ca -0.00 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1kff n LEU 25 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1kff n LEU 25 CO 0.25 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1kff n GLY 26 N 1.10 0.78 3.83 -0.72 0.00 -1.14 -4.85 105.19 104.19 1kff n GLY 26 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1kff n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kff s SER 27 N -1.53 6.75 -0.05 1.61 0.01 -1.26 -3.99 113.70 115.24 1kff s SER 27 Ca 0.00 1.59 0.06 0.00 1.31 0.00 0.00 55.95 58.91 1kff s SER 27 Cb 0.00 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 1kff s SER 27 CO 0.00 -0.48 -0.22 -0.89 0.41 0.00 0.00 173.24 172.07 1kff s THR 28 N -2.41 2.38 -0.25 1.44 2.01 0.53 -2.21 115.64 117.13 1kff s THR 28 Ca 0.60 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1kff s THR 28 Cb -0.10 -1.88 0.06 0.00 0.01 0.00 0.00 72.50 70.59 1kff s THR 28 CO 0.23 0.58 -0.07 0.12 -0.69 0.00 0.00 174.62 174.79 1kff s PHE 29 N -0.41 2.86 -0.46 4.92 5.36 0.63 -1.51 117.98 129.36 1kff s PHE 29 Ca 0.04 -2.08 -0.16 0.00 -0.96 0.00 0.00 56.93 53.77 1kff s PHE 29 Cb -0.12 -1.80 0.05 0.00 -0.34 0.00 0.00 43.02 40.81 1kff s PHE 29 CO 0.01 -0.83 0.41 0.42 -1.46 0.00 0.00 175.22 173.77 1kff s ILE 30 N 1.24 5.18 0.09 3.12 1.01 -0.18 -1.01 121.20 130.65 1kff s ILE 30 Ca -0.06 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 59.84 1kff s ILE 30 Cb -0.19 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1kff s ILE 30 CO -0.06 -0.53 -0.17 0.54 0.00 0.00 0.00 174.94 174.72 1kff s VAL 31 N 1.84 1.40 -0.12 2.92 0.11 -0.00 -1.93 120.40 124.63 1kff s VAL 31 Ca 0.07 -1.48 0.02 0.00 -2.93 0.00 0.00 61.98 57.66 1kff s VAL 31 Cb -0.21 -1.36 -0.00 0.00 -1.53 0.00 0.00 36.38 33.27 1kff s VAL 31 CO 0.09 -0.19 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.58 1kff s THR 32 N -1.39 2.44 -0.25 5.04 2.01 0.65 -0.16 115.64 123.98 1kff s THR 32 Ca 0.04 -0.88 -0.14 0.00 0.31 0.00 0.00 61.69 61.02 1kff s THR 32 Cb -0.09 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1kff s THR 32 CO 0.03 0.54 0.31 0.00 -0.69 0.00 0.00 174.62 174.81 1kff s ALA 33 N 0.40 3.57 0.40 7.40 0.00 -1.26 -2.12 121.76 130.13 1kff s ALA 33 Ca -0.15 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1kff s ALA 33 Cb -0.17 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 1kff s ALA 33 CO 0.07 -0.46 0.58 0.20 0.00 0.00 0.00 175.76 176.15 1kff s GLY 34 N 1.40 1.55 0.46 0.00 0.00 0.25 -4.87 107.32 106.10 1kff s GLY 34 Ca 0.13 -1.20 0.13 0.00 0.00 0.00 0.00 44.72 43.78 1kff s GLY 34 CO 0.08 -1.08 2.04 0.00 0.00 0.00 0.00 173.10 174.15 1kff h ALA 35 N 0.62 1.76 -0.22 3.20 0.00 -1.99 -2.45 119.26 120.19 1kff h ALA 35 Ca -0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1kff h ALA 35 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1kff h ALA 35 CO 0.56 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.59 1kff n ASP 36 N -4.40 2.25 0.00 0.00 5.75 -1.26 -4.86 116.55 114.03 1kff n ASP 36 Ca -0.02 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 1kff n ASP 36 Cb 0.18 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1kff n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kff n GLY 37 N 0.43 0.72 3.75 6.12 0.00 -0.92 -5.03 105.19 110.25 1kff n GLY 37 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1kff n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kff s ALA 38 N -2.42 3.36 -0.16 4.61 0.00 -1.25 -2.14 121.76 123.75 1kff s ALA 38 Ca 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 1kff s ALA 38 Cb 0.00 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1kff s ALA 38 CO 0.00 0.20 -0.04 -0.51 0.00 0.00 0.00 175.76 175.40 1kff s LEU 39 N -0.98 3.16 0.06 0.00 1.43 0.28 -0.58 118.68 122.05 1kff s LEU 39 Ca 0.40 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1kff s LEU 39 Cb -0.25 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1kff s LEU 39 CO 0.30 0.14 -0.08 0.42 0.23 0.00 0.00 176.35 177.36 1kff s THR 40 N 0.55 0.63 -4.21 5.49 -4.23 -0.90 -1.61 115.64 111.35 1kff s THR 40 Ca -0.03 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1kff s THR 40 Cb -0.14 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1kff s THR 40 CO 0.03 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1kff n GLY 41 N 1.05 -0.51 2.92 3.99 0.00 -1.17 -0.26 105.19 111.21 1kff n GLY 41 Ca -0.20 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 1kff n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kff s THR 42 N -3.24 0.41 -0.14 2.61 -4.23 -0.81 -1.20 115.64 109.04 1kff s THR 42 Ca 0.00 -0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.35 1kff s THR 42 Cb 0.00 -0.39 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 1kff s THR 42 CO 0.00 0.15 -0.09 -0.47 -0.54 0.00 0.00 174.62 173.67 1kff s TYR 43 N 0.31 2.89 -0.13 3.99 6.14 0.45 -1.01 117.35 130.00 1kff s TYR 43 Ca -0.03 -0.47 0.02 0.00 0.64 0.00 0.00 57.07 57.22 1kff s TYR 43 Cb -0.07 -1.88 0.01 0.00 0.42 0.00 0.00 41.96 40.45 1kff s TYR 43 CO -0.00 -0.11 -0.17 0.08 0.64 0.00 0.00 175.55 175.98 1kff s VAL 44 N 0.28 1.69 0.84 3.14 1.01 -0.57 -0.21 120.40 126.58 1kff s VAL 44 Ca -0.07 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1kff s VAL 44 Cb -0.15 -1.53 0.10 0.00 0.00 0.00 0.00 36.38 34.79 1kff s VAL 44 CO 0.04 0.48 1.18 0.42 0.00 0.00 0.00 175.10 177.23 1kff s THR 45 N 1.02 2.00 0.32 3.92 -4.23 -0.97 -0.34 115.64 117.35 1kff s THR 45 Ca -0.05 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.55 1kff s THR 45 Cb -0.15 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 71.04 1kff s THR 45 CO -0.03 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.76 1kff h ALA 46 N -1.17 1.72 -0.73 3.99 0.00 -1.89 -0.80 119.26 120.39 1kff h ALA 46 Ca -0.46 0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.72 1kff h ALA 46 Cb 1.32 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 1kff h ALA 46 CO 0.63 -0.33 0.29 -0.09 0.00 0.00 0.00 179.25 179.75 1kff h ARG 47 N 0.50 0.43 -1.09 0.00 9.65 -1.92 -3.47 114.38 118.47 1kff h ARG 47 Ca 0.64 -0.03 -0.13 0.00 -1.10 0.00 0.00 59.98 59.36 1kff h ARG 47 Cb 1.25 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1kff h ARG 47 CO -0.51 0.28 -0.18 0.41 2.80 0.00 0.00 179.97 182.78 1kff n GLY 48 N -1.32 0.13 3.65 2.80 0.00 -0.31 -5.07 105.19 105.08 1kff n GLY 48 Ca 0.13 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 1kff n GLY 48 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kff n ASN 49 N 0.67 2.30 0.13 1.61 6.94 -1.26 -4.99 115.26 120.66 1kff n ASN 49 Ca -0.07 -2.61 0.01 0.00 -0.02 0.00 0.00 54.58 51.89 1kff n ASN 49 Cb 0.56 -0.24 0.31 0.00 -2.36 0.00 0.00 39.78 38.05 1kff n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kff h ALA 50 N 0.38 1.31 0.00 -2.53 0.00 -1.98 -1.25 119.26 115.19 1kff h ALA 50 Ca -0.29 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1kff h ALA 50 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1kff h ALA 50 CO 0.44 0.49 0.00 0.39 0.00 0.00 0.00 179.25 180.56 1kff n GLU 51 N -4.11 0.71 -0.27 0.00 4.71 -1.26 -2.69 120.64 117.73 1kff n GLU 51 Ca -0.01 0.01 0.07 0.00 -0.01 0.00 0.00 57.16 57.21 1kff n GLU 51 Cb 0.40 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.52 1kff n GLU 51 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1kff n SER 52 N -1.02 3.20 -4.80 1.62 3.41 -0.47 -4.87 113.62 110.69 1kff n SER 52 Ca 0.17 -2.70 -0.36 0.00 -0.26 0.00 0.00 58.87 55.73 1kff n SER 52 Cb 0.09 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.57 1kff n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1kff s ARG 53 N -2.23 3.88 0.05 4.33 0.52 -1.10 -2.29 118.95 122.10 1kff s ARG 53 Ca 0.32 -0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.43 1kff s ARG 53 Cb 0.25 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.37 1kff s ARG 53 CO 0.09 0.51 -0.09 0.71 0.02 0.00 0.00 175.30 176.53 1kff s TYR 54 N -0.26 0.78 0.14 -0.53 1.51 0.71 -4.86 117.35 114.86 1kff s TYR 54 Ca 0.12 -0.48 -0.26 0.00 -1.01 0.00 0.00 57.07 55.45 1kff s TYR 54 Cb -0.12 -0.46 -0.07 0.00 -0.11 0.00 0.00 41.96 41.20 1kff s TYR 54 CO 0.02 -0.05 0.79 0.08 -1.11 0.00 0.00 175.55 175.28 1kff s VAL 55 N -1.32 4.42 0.19 0.71 1.01 -1.26 -0.41 120.40 123.75 1kff s VAL 55 Ca -0.08 1.73 0.11 0.00 0.00 0.00 0.00 61.98 63.74 1kff s VAL 55 Cb -0.10 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1kff s VAL 55 CO 0.01 0.48 -0.24 -1.48 0.00 0.00 0.00 175.10 173.87 1kff s LEU 56 N -0.89 2.43 0.02 3.92 0.05 -0.34 -4.45 118.68 119.42 1kff s LEU 56 Ca 0.37 -0.87 -0.07 0.00 0.05 0.00 0.00 54.13 53.61 1kff s LEU 56 Cb -0.23 -1.14 -0.00 0.00 -2.05 0.00 0.00 46.19 42.77 1kff s LEU 56 CO 0.26 0.11 0.13 0.28 -0.55 0.00 0.00 176.35 176.58 1kff s THR 57 N -1.69 0.10 0.00 5.48 -1.32 -0.96 -3.05 115.64 114.20 1kff s THR 57 Ca 0.20 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1kff s THR 57 Cb -0.08 -0.64 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 1kff s THR 57 CO 0.10 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 1kff n GLY 58 N 1.12 1.37 3.09 6.08 0.00 -0.64 -0.48 105.19 115.75 1kff n GLY 58 Ca -0.21 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 1kff n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kff s ARG 59 N -1.02 0.59 0.04 1.61 1.81 -0.24 -0.55 118.95 121.18 1kff s ARG 59 Ca 0.00 -0.97 -0.06 0.00 -1.72 0.00 0.00 55.73 52.99 1kff s ARG 59 Cb 0.00 0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.70 1kff s ARG 59 CO 0.00 -0.13 0.10 1.52 -0.68 0.00 0.00 175.30 176.11 1kff s TYR 60 N -3.17 0.21 -0.39 -0.53 1.13 -0.91 -0.59 117.35 113.10 1kff s TYR 60 Ca -0.00 -0.54 -0.28 0.00 -1.41 0.00 0.00 57.07 54.84 1kff s TYR 60 Cb 0.02 -0.14 -0.00 0.00 -1.10 0.00 0.00 41.96 40.73 1kff s TYR 60 CO -0.07 -0.39 1.61 0.34 -2.51 0.00 0.00 175.55 174.53 1kff s ASP 61 N -2.26 6.08 0.00 -0.18 -1.08 -0.30 -4.64 116.67 114.29 1kff s ASP 61 Ca -0.03 1.01 0.30 0.00 -0.52 0.00 0.00 52.55 53.30 1kff s ASP 61 Cb 0.00 -2.53 1.38 0.00 -1.46 0.00 0.00 42.92 40.31 1kff s ASP 61 CO -0.06 -1.61 1.94 -1.54 0.52 0.00 0.00 175.17 174.42 1kff n SER 62 N 9.68 0.60 -3.33 -0.34 3.41 -1.26 -4.01 113.62 118.36 1kff n SER 62 Ca 0.19 -0.94 -0.25 0.00 -0.26 0.00 0.00 58.87 57.61 1kff n SER 62 Cb 0.48 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 1kff n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kff n ALA 63 N -0.67 2.93 -1.05 7.33 0.00 -1.26 -5.06 120.51 122.73 1kff n ALA 63 Ca 0.18 -3.72 -0.30 0.00 0.00 0.00 0.00 53.44 49.60 1kff n ALA 63 Cb 0.25 -0.83 0.14 0.00 0.00 0.00 0.00 19.45 19.01 1kff n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kff s PRO 64 N -1.24 1.23 0.65 0.00 0.04 -1.26 -4.99 135.00 129.43 1kff s PRO 64 Ca 0.35 1.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.26 1kff s PRO 64 Cb 0.13 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.87 1kff s PRO 64 CO -0.11 -2.32 1.27 0.00 0.04 0.00 0.00 177.00 175.88 1kff s ALA 65 N -2.82 2.37 -0.38 8.56 0.00 -1.26 -4.91 121.76 123.31 1kff s ALA 65 Ca 0.64 1.14 0.08 0.00 0.00 0.00 0.00 51.96 53.82 1kff s ALA 65 Cb -0.19 -3.53 0.61 0.00 0.00 0.00 0.00 23.12 20.01 1kff s ALA 65 CO 0.58 -1.57 1.60 0.25 0.00 0.00 0.00 175.76 176.62 1kff n THR 66 N -1.97 2.45 -1.08 0.00 -2.24 -1.26 -4.54 114.28 105.64 1kff n THR 66 Ca 0.15 -1.29 -0.01 0.00 -2.27 0.00 0.00 64.05 60.63 1kff n THR 66 Cb 0.49 -0.43 0.29 0.00 -2.10 0.00 0.00 70.33 68.57 1kff n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1kff n ASP 67 N -0.06 4.32 0.00 3.42 5.68 -1.26 -4.88 116.55 123.78 1kff n ASP 67 Ca 0.33 -3.23 0.00 0.00 -0.50 0.00 0.00 54.79 51.39 1kff n ASP 67 Cb 1.19 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1kff n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kff n GLY 68 N -0.34 0.55 3.85 6.12 0.00 -1.26 -5.07 105.19 109.04 1kff n GLY 68 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 1kff n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kff s SER 69 N -2.55 6.28 0.97 1.61 0.01 -1.26 -5.04 113.70 113.71 1kff s SER 69 Ca 0.00 1.50 -0.12 0.00 1.31 0.00 0.00 55.95 58.64 1kff s SER 69 Cb 0.00 -2.49 0.17 0.00 0.21 0.00 0.00 66.02 63.91 1kff s SER 69 CO 0.00 -0.83 1.09 -0.83 0.41 0.00 0.00 173.24 173.08 1kff s GLY 70 N -3.71 1.58 -0.45 3.44 0.00 -1.26 -4.85 107.32 102.07 1kff s GLY 70 Ca 0.57 -0.26 -0.19 0.00 0.00 0.00 0.00 44.72 44.85 1kff s GLY 70 CO 0.46 0.32 0.53 -1.59 0.00 0.00 0.00 173.10 172.82 1kff s THR 71 N -2.94 4.98 0.27 0.90 2.01 -0.51 -4.76 115.64 115.58 1kff s THR 71 Ca 0.65 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 62.07 1kff s THR 71 Cb -0.19 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.08 1kff s THR 71 CO 0.58 -0.56 1.27 0.00 -0.69 0.00 0.00 174.62 175.21 1kff s ALA 72 N 2.41 3.49 0.23 7.40 0.00 -1.26 -0.87 121.76 133.16 1kff s ALA 72 Ca 0.15 1.13 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 1kff s ALA 72 Cb -0.17 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1kff s ALA 72 CO 0.14 -0.50 0.58 -0.48 0.00 0.00 0.00 175.76 175.50 1kff s LEU 73 N -1.06 -0.02 -0.08 0.00 0.05 -0.51 -1.15 118.68 115.91 1kff s LEU 73 Ca 0.51 -0.58 -0.28 0.00 0.05 0.00 0.00 54.13 53.83 1kff s LEU 73 Cb -0.37 2.28 0.06 0.00 -2.05 0.00 0.00 46.19 46.11 1kff s LEU 73 CO 0.45 -1.16 0.64 -0.83 -0.55 0.00 0.00 176.35 174.90 1kff s GLY 74 N -2.91 -0.52 0.12 -3.48 0.00 0.24 -1.74 107.32 99.03 1kff s GLY 74 Ca 0.12 1.30 -0.04 0.00 0.00 0.00 0.00 44.72 46.09 1kff s GLY 74 CO 0.02 0.97 0.12 0.66 0.00 0.00 0.00 173.10 174.87 1kff s TRP 75 N -0.97 0.55 -0.02 1.90 -2.14 -0.87 -1.08 118.94 116.31 1kff s TRP 75 Ca -0.10 -0.97 0.05 0.00 2.66 0.00 0.00 56.10 57.74 1kff s TRP 75 Cb -0.01 -0.28 -0.01 0.00 -3.10 0.00 0.00 33.47 30.07 1kff s TRP 75 CO 0.08 -0.55 -0.16 0.99 -2.66 0.00 0.00 176.95 174.65 1kff s THR 76 N -3.97 1.31 -0.17 0.66 2.01 0.37 -1.24 115.64 114.61 1kff s THR 76 Ca 0.16 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1kff s THR 76 Cb 0.06 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.49 1kff s THR 76 CO -0.03 0.37 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.39 1kff s VAL 77 N -0.26 1.98 -0.16 3.82 1.01 -0.82 -2.27 120.40 123.69 1kff s VAL 77 Ca 0.04 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 1kff s VAL 77 Cb -0.08 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1kff s VAL 77 CO 0.00 0.53 0.77 0.00 0.00 0.00 0.00 175.10 176.39 1kff s ALA 78 N 1.24 3.49 -0.61 5.51 0.00 -1.26 -0.88 121.76 129.25 1kff s ALA 78 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.90 1kff s ALA 78 Cb -0.13 -3.13 -0.20 0.00 0.00 0.00 0.00 23.12 19.66 1kff s ALA 78 CO -0.11 -0.55 3.34 0.91 0.00 0.00 0.00 175.76 179.35 1kff n TRP 79 N 4.97 0.90 -4.35 0.00 7.02 -0.31 -4.78 117.44 120.89 1kff n TRP 79 Ca 0.02 -2.07 -0.21 0.00 -1.02 0.00 0.00 57.50 54.22 1kff n TRP 79 Cb 0.49 -1.92 -0.16 0.00 -2.42 0.00 0.00 31.31 27.31 1kff n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1kff s LYS 80 N 1.48 1.09 0.00 -0.99 2.20 -1.26 -1.34 119.74 120.91 1kff s LYS 80 Ca 0.67 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 1kff s LYS 80 Cb 0.26 -0.99 0.00 0.00 -1.51 0.00 0.00 37.83 35.59 1kff s LYS 80 CO -0.02 0.01 0.00 0.27 -0.36 0.00 0.00 175.35 175.25 1kff n ASN 81 N 3.72 0.03 0.11 1.43 0.23 -0.22 -4.81 115.26 115.74 1kff n ASN 81 Ca -0.22 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 53.95 1kff n ASN 81 Cb 0.52 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.66 1kff n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1kff n ASN 82 N 0.00 0.75 -0.02 0.53 3.02 -1.26 -3.93 115.26 114.35 1kff n ASN 82 Ca 0.00 0.60 0.02 0.00 -0.03 0.00 0.00 54.58 55.18 1kff n ASN 82 Cb 0.00 -0.79 -0.09 0.00 -0.61 0.00 0.00 39.78 38.29 1kff n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1kff n TYR 83 N -2.23 0.00 -3.69 3.10 4.01 -1.26 -5.06 117.16 112.03 1kff n TYR 83 Ca 0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 1kff n TYR 83 Cb 0.37 -0.33 -0.07 0.00 -0.31 0.00 0.00 39.34 38.99 1kff n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1kff s ARG 84 N -2.63 0.86 -0.20 -0.72 0.52 -1.25 -5.13 118.95 110.39 1kff s ARG 84 Ca -0.04 -0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 54.85 1kff s ARG 84 Cb 0.06 0.38 0.10 0.00 0.52 0.00 0.00 34.95 36.01 1kff s ARG 84 CO 0.46 -0.28 0.23 1.21 0.02 0.00 0.00 175.30 176.94 1kff s ASN 85 N -1.76 1.31 0.00 0.23 3.84 -1.26 -1.06 114.94 116.24 1kff s ASN 85 Ca -0.08 -0.20 0.29 0.00 0.21 0.00 0.00 52.86 53.08 1kff s ASN 85 Cb -0.02 0.42 1.26 0.00 -0.55 0.00 0.00 41.25 42.36 1kff s ASN 85 CO 0.00 -0.32 1.88 0.00 -2.79 0.00 0.00 177.10 175.87 1kff n ALA 86 N 5.32 2.73 -3.69 1.71 0.00 -0.45 -4.98 120.51 121.14 1kff n ALA 86 Ca -0.05 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 1kff n ALA 86 Cb 0.50 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.62 1kff n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1kff n HIS 87 N -1.03 -1.92 -3.46 0.00 8.25 -1.26 -4.85 115.22 110.95 1kff n HIS 87 Ca 0.14 0.75 -0.11 0.00 -0.26 0.00 0.00 57.72 58.24 1kff n HIS 87 Cb 0.27 -4.10 -0.02 0.00 1.12 0.00 0.00 29.99 27.26 1kff n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1kff s SER 88 N -4.11 -0.53 -0.07 0.41 1.04 -1.26 -0.37 113.70 108.80 1kff s SER 88 Ca 0.13 -0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.46 1kff s SER 88 Cb -0.04 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.72 1kff s SER 88 CO 0.83 -0.99 0.18 0.00 0.98 0.00 0.00 173.24 174.23 1kff s ALA 89 N -3.74 -0.38 -0.11 5.32 0.00 -0.59 -1.16 121.76 121.10 1kff s ALA 89 Ca 0.02 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 1kff s ALA 89 Cb -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1kff s ALA 89 CO -0.11 -0.14 0.07 0.99 0.00 0.00 0.00 175.76 176.57 1kff s THR 90 N 0.85 4.94 -0.06 0.00 2.01 -0.06 -1.11 115.64 122.21 1kff s THR 90 Ca -0.06 -0.00 0.05 0.00 0.31 0.00 0.00 61.69 61.98 1kff s THR 90 Cb -0.08 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 1kff s THR 90 CO -0.05 0.60 -0.20 0.42 -0.69 0.00 0.00 174.62 174.70 1kff s THR 91 N -0.81 2.53 -0.20 -0.82 -4.23 -0.14 -1.95 115.64 110.02 1kff s THR 91 Ca 0.13 -0.90 -0.05 0.00 -1.18 0.00 0.00 61.69 59.69 1kff s THR 91 Cb -0.12 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 1kff s THR 91 CO 0.03 0.57 -0.00 0.26 -0.54 0.00 0.00 174.62 174.94 1kff s TRP 92 N -0.32 3.03 -0.16 3.99 0.51 -0.37 -0.97 118.94 124.65 1kff s TRP 92 Ca 0.02 -0.48 0.02 0.00 -2.12 0.00 0.00 56.10 53.53 1kff s TRP 92 Cb -0.13 -2.08 0.01 0.00 -0.81 0.00 0.00 33.47 30.46 1kff s TRP 92 CO 0.02 -0.26 -0.20 0.45 -0.51 0.00 0.00 176.95 176.45 1kff s SER 93 N 1.03 3.16 0.00 2.95 0.15 0.14 -2.04 113.70 119.09 1kff s SER 93 Ca 0.02 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1kff s SER 93 Cb -0.14 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 1kff s SER 93 CO 0.02 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1kff n GLY 94 N 4.35 1.37 3.03 9.45 0.00 -0.71 -0.81 105.19 121.87 1kff n GLY 94 Ca -0.20 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1kff n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kff s GLN 95 N 0.27 0.25 -0.03 1.61 -2.07 -0.73 -1.43 119.66 117.52 1kff s GLN 95 Ca 0.00 -0.04 -0.21 0.00 -1.82 0.00 0.00 55.36 53.30 1kff s GLN 95 Cb 0.00 0.11 -0.05 0.00 -1.09 0.00 0.00 33.01 31.98 1kff s GLN 95 CO 0.00 -0.05 0.60 -0.47 -1.32 0.00 0.00 175.29 174.05 1kff s TYR 96 N -0.43 3.64 -0.20 9.60 5.04 -0.05 -1.56 117.35 133.39 1kff s TYR 96 Ca -0.05 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 1kff s TYR 96 Cb -0.03 -2.63 0.02 0.00 0.35 0.00 0.00 41.96 39.67 1kff s TYR 96 CO 0.00 0.28 -0.15 0.08 -1.34 0.00 0.00 175.55 174.43 1kff s VAL 97 N 0.08 2.33 0.69 3.14 1.01 -0.25 -1.42 120.40 125.97 1kff s VAL 97 Ca 0.31 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1kff s VAL 97 Cb -0.18 -2.06 0.14 0.00 0.00 0.00 0.00 36.38 34.28 1kff s VAL 97 CO 0.16 0.42 0.94 0.61 0.00 0.00 0.00 175.10 177.24 1kff n GLY 98 N 4.62 0.08 0.00 4.51 0.00 -1.26 -1.88 105.19 111.27 1kff n GLY 98 Ca -0.19 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1kff n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kff n GLY 99 N -1.88 0.04 3.80 -0.02 0.00 -1.26 -4.74 105.19 101.13 1kff n GLY 99 Ca 0.14 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 1kff n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kff s ALA 100 N -2.00 3.58 -0.26 4.61 0.00 -1.26 -3.62 121.76 122.81 1kff s ALA 100 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 1kff s ALA 100 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1kff s ALA 100 CO 0.00 0.34 0.22 0.39 0.00 0.00 0.00 175.76 176.71 1kff n GLU 101 N 2.04 -1.47 -1.72 0.00 -0.58 -1.26 -4.97 120.64 112.68 1kff n GLU 101 Ca -0.10 0.17 -0.43 0.00 -0.42 0.00 0.00 57.16 56.38 1kff n GLU 101 Cb 0.51 -3.18 -0.02 0.00 -0.57 0.00 0.00 31.44 28.18 1kff n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kff n ALA 102 N -2.26 1.89 -2.47 0.62 0.00 -1.24 -4.95 120.51 112.10 1kff n ALA 102 Ca -0.03 0.38 -0.08 0.00 0.00 0.00 0.00 53.44 53.70 1kff n ALA 102 Cb 0.52 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.52 1kff n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1kff s ARG 103 N -0.87 0.64 -0.24 0.00 1.70 -0.79 -4.24 118.95 115.15 1kff s ARG 103 Ca 0.63 -0.96 0.01 0.00 -0.47 0.00 0.00 55.73 54.94 1kff s ARG 103 Cb -0.55 0.24 0.04 0.00 -0.57 0.00 0.00 34.95 34.11 1kff s ARG 103 CO 0.53 -0.16 -0.12 0.42 -1.08 0.00 0.00 175.30 174.89 1kff s ILE 104 N -3.31 2.33 -0.26 4.99 1.01 -0.55 -1.09 121.20 124.32 1kff s ILE 104 Ca 0.01 -1.30 -0.13 0.00 0.00 0.00 0.00 60.65 59.23 1kff s ILE 104 Cb 0.03 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1kff s ILE 104 CO -0.08 0.17 0.26 0.20 0.00 0.00 0.00 174.94 175.49 1kff s ASN 105 N 1.21 6.15 0.22 3.58 -0.87 -0.60 -1.03 114.94 123.60 1kff s ASN 105 Ca -0.03 0.16 0.07 0.00 -1.57 0.00 0.00 52.86 51.48 1kff s ASN 105 Cb -0.17 -2.15 -0.05 0.00 -0.02 0.00 0.00 41.25 38.85 1kff s ASN 105 CO -0.07 -0.07 -0.10 0.42 -2.57 0.00 0.00 177.10 174.71 1kff s THR 106 N 1.65 1.57 0.07 1.60 -4.23 -0.02 -1.78 115.64 114.50 1kff s THR 106 Ca 0.11 -2.15 0.10 0.00 -1.18 0.00 0.00 61.69 58.56 1kff s THR 106 Cb -0.15 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 1kff s THR 106 CO 0.09 -0.52 -0.26 -1.10 -0.54 0.00 0.00 174.62 172.29 1kff s GLN 107 N -3.70 1.70 0.07 3.99 -0.21 0.01 -1.77 119.66 119.76 1kff s GLN 107 Ca 0.24 -1.17 0.04 0.00 0.02 0.00 0.00 55.36 54.49 1kff s GLN 107 Cb 0.01 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 32.02 1kff s GLN 107 CO 0.07 0.50 -0.12 1.67 -2.12 0.00 0.00 175.29 175.29 1kff s TRP 108 N -0.89 1.07 -0.08 0.91 1.48 -0.51 0.28 118.94 121.20 1kff s TRP 108 Ca 0.13 -0.53 0.02 0.00 -1.06 0.00 0.00 56.10 54.66 1kff s TRP 108 Cb -0.10 -0.60 0.02 0.00 -1.16 0.00 0.00 33.47 31.63 1kff s TRP 108 CO 0.04 0.02 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.31 1kff s LEU 109 N -1.94 1.57 -0.28 -4.66 1.43 -0.14 -1.92 118.68 112.73 1kff s LEU 109 Ca -0.01 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1kff s LEU 109 Cb -0.08 -0.87 0.05 0.00 0.03 0.00 0.00 46.19 45.32 1kff s LEU 109 CO 0.01 0.00 -0.05 -0.22 0.23 0.00 0.00 176.35 176.33 1kff s LEU 110 N 0.91 3.69 -0.13 1.79 0.20 -0.35 -0.97 118.68 123.82 1kff s LEU 110 Ca -0.10 -1.31 -0.04 0.00 0.69 0.00 0.00 54.13 53.38 1kff s LEU 110 Cb -0.15 -1.64 -0.03 0.00 -0.43 0.00 0.00 46.19 43.93 1kff s LEU 110 CO 0.01 -0.23 -0.00 -0.89 -0.29 0.00 0.00 176.35 174.95 1kff s THR 111 N 1.19 4.24 0.12 3.68 2.01 -0.26 -1.19 115.64 125.43 1kff s THR 111 Ca -0.07 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1kff s THR 111 Cb -0.20 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1kff s THR 111 CO -0.03 0.53 0.26 -0.44 -0.69 0.00 0.00 174.62 174.26 1kff s SER 112 N -0.15 6.35 0.13 3.53 0.01 -0.18 -1.54 113.70 121.85 1kff s SER 112 Ca 0.04 0.21 -0.30 0.00 1.31 0.00 0.00 55.95 57.21 1kff s SER 112 Cb -0.13 -1.93 -0.06 0.00 0.21 0.00 0.00 66.02 64.11 1kff s SER 112 CO 0.02 0.09 1.04 -0.83 0.41 0.00 0.00 173.24 173.97 1kff s GLY 113 N -2.98 2.90 0.25 3.44 0.00 0.50 -4.83 107.32 106.60 1kff s GLY 113 Ca 0.35 0.69 -0.04 0.00 0.00 0.00 0.00 44.72 45.72 1kff s GLY 113 CO 0.28 1.58 0.32 -0.51 0.00 0.00 0.00 173.10 174.78 1kff s THR 114 N -0.01 0.00 0.75 0.90 -4.23 -1.26 -5.01 115.64 106.78 1kff s THR 114 Ca 0.49 -1.73 -0.12 0.00 -1.18 0.00 0.00 61.69 59.15 1kff s THR 114 Cb -0.26 -2.43 0.04 0.00 1.34 0.00 0.00 72.50 71.19 1kff s THR 114 CO 0.32 0.00 1.10 0.42 -0.54 0.00 0.00 174.62 175.92 1kff s THR 115 N -3.85 3.20 0.48 3.99 -4.23 -1.26 -4.86 115.64 109.11 1kff s THR 115 Ca 0.32 0.39 0.17 0.00 -1.18 0.00 0.00 61.69 61.39 1kff s THR 115 Cb 0.03 -3.28 0.23 0.00 1.34 0.00 0.00 72.50 70.82 1kff s THR 115 CO 0.14 -0.51 2.07 -0.33 -0.54 0.00 0.00 174.62 175.45 1kff h GLU 116 N -0.87 0.00 0.00 3.99 5.08 -2.01 -1.17 114.58 119.61 1kff h GLU 116 Ca -0.46 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1kff h GLU 116 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1kff h GLU 116 CO 0.62 0.10 -0.28 0.00 -1.00 0.00 0.00 179.01 178.46 1kff h ALA 117 N 1.90 0.96 -0.21 3.43 0.00 -2.06 -3.02 119.26 120.26 1kff h ALA 117 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1kff h ALA 117 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1kff h ALA 117 CO 0.01 0.35 0.00 0.09 0.00 0.00 0.00 179.25 179.70 1kff n ASN 118 N -3.37 2.98 0.13 0.00 5.03 -0.51 -4.55 115.26 114.96 1kff n ASN 118 Ca 0.01 -1.89 0.18 0.00 0.87 0.00 0.00 54.58 53.75 1kff n ASN 118 Cb 0.49 -0.13 0.76 0.00 -1.02 0.00 0.00 39.78 39.88 1kff n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kff h ALA 119 N 3.85 2.09 0.00 5.41 0.00 -1.23 -1.08 119.26 128.30 1kff h ALA 119 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1kff h ALA 119 Cb 0.86 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1kff h ALA 119 CO 0.00 -0.43 -0.04 0.11 0.00 0.00 0.00 179.25 178.90 1kff h TRP 120 N 0.00 0.00 -0.57 0.00 5.08 -1.82 -0.78 115.95 117.86 1kff h TRP 120 Ca 0.14 0.00 -0.39 0.00 1.08 0.00 0.00 58.89 59.72 1kff h TRP 120 Cb 0.68 0.00 -0.26 0.00 -3.00 0.00 0.00 29.16 26.58 1kff h TRP 120 CO 0.00 0.04 -0.33 0.36 -1.28 0.00 0.00 178.44 177.23 1kff n LYS 121 N -3.16 2.70 0.02 0.12 2.85 -0.41 -4.73 118.16 115.55 1kff n LYS 121 Ca 0.00 -3.66 0.12 0.00 -1.05 0.00 0.00 58.31 53.73 1kff n LYS 121 Cb 0.30 -2.06 0.21 0.00 -0.65 0.00 0.00 35.03 32.83 1kff n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1kff n SER 122 N -0.91 0.56 -4.04 -5.58 3.41 -0.30 -4.89 113.62 101.86 1kff n SER 122 Ca 0.40 -0.13 -0.29 0.00 -0.26 0.00 0.00 58.87 58.59 1kff n SER 122 Cb 0.91 0.26 -0.17 0.00 -0.26 0.00 0.00 64.21 64.95 1kff n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1kff s THR 123 N -3.06 1.55 0.26 6.66 2.01 -1.26 -1.01 115.64 120.79 1kff s THR 123 Ca 0.09 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 1kff s THR 123 Cb 0.16 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1kff s THR 123 CO 0.71 0.45 0.51 -0.76 -0.69 0.00 0.00 174.62 174.84 1kff s LEU 124 N 1.20 4.11 -0.01 4.42 1.43 -0.33 -4.92 118.68 124.58 1kff s LEU 124 Ca -0.02 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 1kff s LEU 124 Cb -0.14 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1kff s LEU 124 CO -0.06 -0.15 -0.07 0.54 0.23 0.00 0.00 176.35 176.85 1kff s VAL 125 N -2.01 0.56 0.00 -1.59 0.11 -1.26 -1.22 120.40 114.99 1kff s VAL 125 Ca 0.42 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 1kff s VAL 125 Cb -0.11 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 1kff s VAL 125 CO 0.29 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 1kff n GLY 126 N 3.13 2.87 3.01 6.54 0.00 -0.81 -5.01 105.19 114.93 1kff n GLY 126 Ca -0.16 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 1kff n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1kff s HIS 127 N -4.32 0.11 0.02 1.61 -3.43 -1.26 -1.42 115.29 106.59 1kff s HIS 127 Ca 0.00 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.04 1kff s HIS 127 Cb 0.00 -0.09 -0.01 0.00 -1.43 0.00 0.00 32.58 31.04 1kff s HIS 127 CO 0.00 -0.18 -0.03 -0.51 -2.00 0.00 0.00 174.74 172.02 1kff s ASP 128 N -1.07 0.29 -0.07 7.38 1.01 -0.73 -4.97 116.67 118.52 1kff s ASP 128 Ca -0.12 -0.35 0.04 0.00 0.71 0.00 0.00 52.55 52.83 1kff s ASP 128 Cb -0.07 0.06 0.00 0.00 1.01 0.00 0.00 42.92 43.92 1kff s ASP 128 CO 0.00 -0.19 -0.19 -0.89 0.21 0.00 0.00 175.17 174.12 1kff s THR 129 N -0.99 1.61 0.02 -1.27 2.01 -1.26 -0.84 115.64 114.92 1kff s THR 129 Ca -0.10 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.18 1kff s THR 129 Cb -0.07 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1kff s THR 129 CO -0.01 0.46 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.87 1kff s PHE 130 N 0.29 2.65 0.16 4.92 0.40 -0.19 -3.54 117.98 122.67 1kff s PHE 130 Ca -0.12 -0.20 -0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1kff s PHE 130 Cb -0.15 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 1kff s PHE 130 CO 0.05 0.26 0.12 0.95 0.70 0.00 0.00 175.22 177.30 1kff s THR 131 N -0.91 0.06 -1.06 0.64 -4.23 -0.75 -1.48 115.64 107.91 1kff s THR 131 Ca 0.15 -1.88 0.25 0.00 -1.18 0.00 0.00 61.69 59.04 1kff s THR 131 Cb -0.11 -2.19 0.24 0.00 1.34 0.00 0.00 72.50 71.79 1kff s THR 131 CO 0.05 -0.27 1.82 0.29 -0.54 0.00 0.00 174.62 175.97 1kff n LYS 132 N -0.18 0.05 -4.31 3.99 5.02 -1.26 -0.97 118.16 120.50 1kff n LYS 132 Ca -0.03 0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.99 1kff n LYS 132 Cb 0.64 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.06 1kff n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kff s VAL 133 N -2.94 4.17 -2.76 -0.18 1.01 -1.26 -4.84 120.40 113.60 1kff s VAL 133 Ca 0.14 -0.54 0.26 0.00 0.00 0.00 0.00 61.98 61.84 1kff s VAL 133 Cb 0.17 -2.84 0.36 0.00 0.00 0.00 0.00 36.38 34.07 1kff s VAL 133 CO 0.45 0.42 1.49 1.17 0.00 0.00 0.00 175.10 178.63