#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 1.30 -2.76 -0.61 2.04 -1.98 -3.46 117.51 112.04 1kff h ILE 17 Ca 0.00 -1.81 -0.52 0.00 1.00 0.00 0.00 64.86 63.53 1kff h ILE 17 Cb 0.00 1.87 0.06 0.00 -0.74 0.00 0.00 36.82 38.01 1kff h ILE 17 CO 0.00 0.57 0.99 -0.89 0.00 0.00 0.00 178.15 178.82 1kff s THR 18 N -3.92 2.09 -5.00 -0.27 2.01 -1.26 -4.77 115.64 104.52 1kff s THR 18 Ca -0.11 0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1kff s THR 18 Cb 0.08 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1kff s THR 18 CO 0.88 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.42 1kff n GLY 19 N 3.74 0.63 3.55 4.40 0.00 -0.59 -5.01 105.19 111.91 1kff n GLY 19 Ca 0.15 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.86 4.29 0.09 2.61 2.01 -1.26 -2.03 115.64 118.49 1kff s THR 20 Ca 0.00 -0.21 0.09 0.00 0.31 0.00 0.00 61.69 61.88 1kff s THR 20 Cb 0.00 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1kff s THR 20 CO 0.00 0.47 -0.23 0.26 -0.69 0.00 0.00 174.62 174.43 1kff s TRP 21 N 0.48 1.95 -0.02 4.92 0.52 -0.24 -4.63 118.94 121.91 1kff s TRP 21 Ca -0.00 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 55.78 1kff s TRP 21 Cb -0.14 -1.09 -0.01 0.00 -1.15 0.00 0.00 33.47 31.08 1kff s TRP 21 CO 0.02 0.20 -0.20 0.71 0.02 0.00 0.00 176.95 177.70 1kff s TYR 22 N -1.03 1.87 0.57 -1.98 1.51 -0.41 -1.27 117.35 116.61 1kff s TYR 22 Ca 0.09 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 1kff s TYR 22 Cb -0.10 -1.21 0.08 0.00 -0.11 0.00 0.00 41.96 40.62 1kff s TYR 22 CO 0.04 -0.06 0.70 0.27 -1.11 0.00 0.00 175.55 175.39 1kff n ASN 23 N 2.67 2.29 0.23 2.29 6.94 -1.03 -1.27 115.26 127.39 1kff n ASN 23 Ca -0.16 -2.64 0.10 0.00 -0.02 0.00 0.00 54.58 51.86 1kff n ASN 23 Cb 0.53 -0.32 0.54 0.00 -2.36 0.00 0.00 39.78 38.17 1kff n ASN 23 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1kff h GLN 24 N 0.00 0.00 -0.52 -3.83 -0.00 -1.91 -3.16 115.11 105.70 1kff h GLN 24 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 1kff h GLN 24 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.74 1kff h GLN 24 CO 0.43 0.22 0.00 1.28 -0.00 0.00 0.00 178.83 180.76 1kff n LEU 25 N -3.57 4.67 0.00 0.06 4.77 -1.26 -4.92 117.00 116.75 1kff n LEU 25 Ca -0.01 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1kff n LEU 25 Cb 0.36 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1kff n LEU 25 CO 0.33 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1kff n GLY 26 N 0.57 0.52 3.90 -0.72 0.00 -1.19 -4.77 105.19 103.50 1kff n GLY 26 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.12 6.03 -0.05 1.61 0.01 -1.26 -4.05 113.70 113.87 1kff s SER 27 Ca 0.00 1.02 -0.05 0.00 1.31 0.00 0.00 55.95 58.23 1kff s SER 27 Cb 0.00 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 64.09 1kff s SER 27 CO 0.00 -0.83 0.14 -0.89 0.41 0.00 0.00 173.24 172.07 1kff s THR 28 N -2.97 0.01 -0.05 1.44 2.01 -0.29 -2.45 115.64 113.34 1kff s THR 28 Ca 0.52 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1kff s THR 28 Cb -0.11 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.20 1kff s THR 28 CO 0.48 -0.04 -0.04 0.12 -0.69 0.00 0.00 174.62 174.45 1kff s PHE 29 N -0.07 0.78 -0.16 4.92 5.36 -0.39 0.19 117.98 128.61 1kff s PHE 29 Ca -0.01 -0.23 -0.01 0.00 -0.96 0.00 0.00 56.93 55.71 1kff s PHE 29 Cb -0.02 -0.73 -0.01 0.00 -0.34 0.00 0.00 43.02 41.92 1kff s PHE 29 CO 0.00 -0.24 -0.11 0.42 -1.46 0.00 0.00 175.22 173.84 1kff s ILE 30 N 1.17 3.08 0.01 3.12 1.01 -0.27 -1.08 121.20 128.24 1kff s ILE 30 Ca -0.07 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1kff s ILE 30 Cb -0.14 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1kff s ILE 30 CO -0.01 0.50 0.00 0.54 0.00 0.00 0.00 174.94 175.97 1kff s VAL 31 N 0.74 0.06 -0.11 2.92 0.11 -0.86 -1.23 120.40 122.03 1kff s VAL 31 Ca -0.05 -0.47 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 1kff s VAL 31 Cb -0.15 -0.17 -0.00 0.00 -1.53 0.00 0.00 36.38 34.53 1kff s VAL 31 CO 0.02 -0.26 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.42 1kff s THR 32 N -0.77 2.29 -0.40 5.04 2.01 0.68 -1.54 115.64 122.94 1kff s THR 32 Ca -0.08 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 60.84 1kff s THR 32 Cb -0.05 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.59 1kff s THR 32 CO -0.00 0.55 0.28 0.00 -0.69 0.00 0.00 174.62 174.76 1kff s ALA 33 N 0.36 3.43 0.49 7.40 0.00 -1.26 -1.87 121.76 130.30 1kff s ALA 33 Ca -0.17 -1.75 -0.07 0.00 0.00 0.00 0.00 51.96 49.97 1kff s ALA 33 Cb -0.17 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1kff s ALA 33 CO 0.08 -1.46 0.82 0.20 0.00 0.00 0.00 175.76 175.40 1kff s GLY 34 N 1.70 1.61 0.58 0.00 0.00 -0.03 -4.89 107.32 106.29 1kff s GLY 34 Ca 0.04 -0.39 0.28 0.00 0.00 0.00 0.00 44.72 44.66 1kff s GLY 34 CO 0.09 -0.20 2.16 0.00 0.00 0.00 0.00 173.10 175.15 1kff h ALA 35 N 0.34 1.72 -0.18 3.20 0.00 -1.98 -2.41 119.26 119.95 1kff h ALA 35 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1kff h ALA 35 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1kff h ALA 35 CO 0.62 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.31 1kff n ASP 36 N -3.89 1.24 0.00 0.00 5.75 -1.26 -4.89 116.55 113.50 1kff n ASP 36 Ca -0.00 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1kff n ASP 36 Cb 0.22 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 0.96 0.37 3.76 6.12 0.00 -0.91 -5.01 105.19 110.49 1kff n GLY 37 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.33 -0.09 4.61 0.00 -1.26 -0.81 121.76 125.55 1kff s ALA 38 Ca 0.00 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.67 1kff s ALA 38 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 1kff s ALA 38 CO 0.00 0.09 -0.16 -0.51 0.00 0.00 0.00 175.76 175.18 1kff s LEU 39 N -1.41 2.60 0.00 0.00 1.43 0.29 -0.85 118.68 120.75 1kff s LEU 39 Ca 0.44 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1kff s LEU 39 Cb -0.27 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 1kff s LEU 39 CO 0.33 0.24 0.05 0.42 0.23 0.00 0.00 176.35 177.63 1kff s THR 40 N -0.12 0.08 -2.24 5.49 -4.23 -0.78 -1.44 115.64 112.40 1kff s THR 40 Ca -0.02 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1kff s THR 40 Cb -0.14 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1kff s THR 40 CO 0.04 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1kff n GLY 41 N 1.81 -0.57 2.93 3.99 0.00 -1.11 -0.23 105.19 112.00 1kff n GLY 41 Ca -0.21 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.32 0.15 -0.09 2.61 -4.23 -0.36 -1.61 115.64 108.79 1kff s THR 42 Ca 0.00 -0.32 0.03 0.00 -1.18 0.00 0.00 61.69 60.22 1kff s THR 42 Cb 0.00 -0.18 -0.01 0.00 1.34 0.00 0.00 72.50 73.65 1kff s THR 42 CO 0.00 -0.11 -0.20 -0.47 -0.54 0.00 0.00 174.62 173.31 1kff s TYR 43 N -0.44 2.63 -0.16 3.99 6.14 0.12 -1.11 117.35 128.51 1kff s TYR 43 Ca -0.04 -0.74 0.01 0.00 0.64 0.00 0.00 57.07 56.94 1kff s TYR 43 Cb -0.03 -1.72 0.01 0.00 0.42 0.00 0.00 41.96 40.63 1kff s TYR 43 CO -0.00 -0.24 -0.17 0.08 0.64 0.00 0.00 175.55 175.86 1kff s VAL 44 N 0.11 2.45 0.72 3.14 1.01 0.13 -1.11 120.40 126.85 1kff s VAL 44 Ca -0.10 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1kff s VAL 44 Cb -0.16 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1kff s VAL 44 CO 0.06 0.52 1.11 0.42 0.00 0.00 0.00 175.10 177.21 1kff s THR 45 N 0.98 3.31 0.42 3.92 -4.23 -0.57 -1.14 115.64 118.33 1kff s THR 45 Ca -0.02 0.42 0.32 0.00 -1.18 0.00 0.00 61.69 61.24 1kff s THR 45 Cb -0.15 -3.42 0.50 0.00 1.34 0.00 0.00 72.50 70.77 1kff s THR 45 CO -0.04 -0.56 1.42 0.00 -0.54 0.00 0.00 174.62 174.91 1kff n ALA 46 N -3.05 1.33 0.31 3.99 0.00 -1.26 -1.08 120.51 120.76 1kff n ALA 46 Ca 0.07 0.76 0.20 0.00 0.00 0.00 0.00 53.44 54.47 1kff n ALA 46 Cb 0.58 -0.98 0.98 0.00 0.00 0.00 0.00 19.45 20.03 1kff n ALA 46 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1kff h ARG 47 N 0.00 0.00 -0.34 0.00 2.43 -1.90 -3.46 114.38 111.11 1kff h ARG 47 Ca 0.81 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.84 1kff h ARG 47 Cb 2.74 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 32.23 1kff h ARG 47 CO -0.35 0.00 -0.13 0.41 -1.51 0.00 0.00 179.97 178.39 1kff n GLY 48 N -0.62 0.74 3.84 2.80 0.00 -0.24 -4.97 105.19 106.74 1kff n GLY 48 Ca -0.01 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1kff n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kff s ASN 49 N -2.32 6.66 0.53 1.61 3.04 -1.26 -4.94 114.94 118.26 1kff s ASN 49 Ca 0.00 1.50 0.26 0.00 0.04 0.00 0.00 52.86 54.66 1kff s ASN 49 Cb 0.00 -2.48 1.49 0.00 -1.54 0.00 0.00 41.25 38.72 1kff s ASN 49 CO 0.00 -0.51 2.12 0.00 -3.04 0.00 0.00 177.10 175.67 1kff h ALA 50 N 1.16 1.46 0.00 1.71 0.00 -1.97 0.19 119.26 121.81 1kff h ALA 50 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1kff h ALA 50 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kff h ALA 50 CO 0.62 0.11 0.00 -0.85 0.00 0.00 0.00 179.25 179.13 1kff n GLU 51 N -3.85 0.01 -0.29 0.00 0.28 -1.26 -3.18 120.64 112.34 1kff n GLU 51 Ca -0.02 0.10 0.10 0.00 -0.16 0.00 0.00 57.16 57.17 1kff n GLU 51 Cb 0.18 -1.50 0.26 0.00 1.43 0.00 0.00 31.44 31.81 1kff n GLU 51 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1kff n SER 52 N -1.49 3.55 -4.73 -1.84 7.64 0.66 -4.81 113.62 112.60 1kff n SER 52 Ca 0.06 -1.99 -0.35 0.00 1.01 0.00 0.00 58.87 57.59 1kff n SER 52 Cb 0.27 -0.38 -0.08 0.00 -1.01 0.00 0.00 64.21 63.00 1kff n SER 52 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1kff s ARG 53 N -1.02 3.52 0.03 1.43 0.52 -1.18 -1.52 118.95 120.73 1kff s ARG 53 Ca 0.39 -0.29 0.03 0.00 -0.52 0.00 0.00 55.73 55.34 1kff s ARG 53 Cb 0.20 -3.09 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 1kff s ARG 53 CO 0.27 0.57 -0.08 0.71 0.02 0.00 0.00 175.30 176.78 1kff s TYR 54 N -0.46 0.73 0.45 -0.53 1.51 -0.27 -4.82 117.35 113.96 1kff s TYR 54 Ca 0.10 -0.35 -0.22 0.00 -1.01 0.00 0.00 57.07 55.60 1kff s TYR 54 Cb -0.12 -0.44 -0.08 0.00 -0.11 0.00 0.00 41.96 41.20 1kff s TYR 54 CO 0.02 -0.03 1.06 0.08 -1.11 0.00 0.00 175.55 175.56 1kff s VAL 55 N -0.89 3.67 0.12 0.71 1.01 -1.26 0.11 120.40 123.86 1kff s VAL 55 Ca -0.04 1.16 0.06 0.00 0.00 0.00 0.00 61.98 63.16 1kff s VAL 55 Cb -0.07 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1kff s VAL 55 CO 0.00 -0.11 -0.15 -1.48 0.00 0.00 0.00 175.10 173.37 1kff s LEU 56 N -3.08 2.39 -0.12 3.92 0.05 -0.63 -4.23 118.68 116.97 1kff s LEU 56 Ca 0.63 -0.79 -0.14 0.00 0.05 0.00 0.00 54.13 53.87 1kff s LEU 56 Cb -0.20 -0.58 0.04 0.00 -2.05 0.00 0.00 46.19 43.39 1kff s LEU 56 CO 0.25 -0.12 0.39 0.28 -0.55 0.00 0.00 176.35 176.60 1kff s THR 57 N -2.01 0.01 0.00 5.48 -1.32 -1.05 -2.76 115.64 113.99 1kff s THR 57 Ca 0.08 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1kff s THR 57 Cb -0.06 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1kff s THR 57 CO 0.03 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1kff n GLY 58 N 2.57 2.16 2.91 6.08 0.00 -0.52 -0.39 105.19 117.99 1kff n GLY 58 Ca -0.15 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.35 0.12 0.11 1.61 1.81 -0.78 -0.54 118.95 119.92 1kff s ARG 59 Ca 0.00 -0.21 0.00 0.00 -1.72 0.00 0.00 55.73 53.80 1kff s ARG 59 Cb 0.00 0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.47 1kff s ARG 59 CO 0.00 -0.01 0.00 1.52 -0.68 0.00 0.00 175.30 176.13 1kff s TYR 60 N -0.49 0.84 -0.71 -0.53 1.13 0.01 -2.19 117.35 115.41 1kff s TYR 60 Ca -0.05 -1.09 -0.26 0.00 -1.41 0.00 0.00 57.07 54.25 1kff s TYR 60 Cb -0.03 -0.50 -0.00 0.00 -1.10 0.00 0.00 41.96 40.32 1kff s TYR 60 CO -0.00 -0.36 1.66 0.34 -2.51 0.00 0.00 175.55 174.68 1kff s ASP 61 N -3.04 5.62 0.00 -0.18 2.15 -0.29 -4.63 116.67 116.30 1kff s ASP 61 Ca 0.17 -0.15 0.23 0.00 0.43 0.00 0.00 52.55 53.23 1kff s ASP 61 Cb 0.07 -2.55 1.39 0.00 -0.30 0.00 0.00 42.92 41.53 1kff s ASP 61 CO -0.02 -2.19 1.86 -1.54 -0.17 0.00 0.00 175.17 173.11 1kff n SER 62 N 11.55 0.00 -3.17 -0.34 3.41 -1.26 -3.75 113.62 120.06 1kff n SER 62 Ca 0.18 -1.15 -0.21 0.00 -0.26 0.00 0.00 58.87 57.42 1kff n SER 62 Cb 0.50 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.89 2.66 -1.39 7.33 0.00 -1.26 -5.06 120.51 121.91 1kff n ALA 63 Ca 0.17 -3.70 -0.33 0.00 0.00 0.00 0.00 53.44 49.59 1kff n ALA 63 Cb 0.08 -0.87 0.07 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.29 2.45 0.60 0.00 0.04 -1.25 -4.97 135.00 129.57 1kff s PRO 64 Ca 0.40 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.74 1kff s PRO 64 Cb 0.28 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.87 1kff s PRO 64 CO -0.09 -1.54 0.82 0.00 0.04 0.00 0.00 177.00 176.23 1kff n ALA 65 N -2.73 -0.26 -1.80 8.56 0.00 -1.26 -4.95 120.51 118.06 1kff n ALA 65 Ca 0.11 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 1kff n ALA 65 Cb 0.52 -2.02 0.04 0.00 0.00 0.00 0.00 19.45 17.99 1kff n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kff n THR 66 N -1.79 3.01 -1.55 0.00 -2.24 -1.26 -4.62 114.28 105.83 1kff n THR 66 Ca 0.13 -3.82 0.05 0.00 -2.27 0.00 0.00 64.05 58.15 1kff n THR 66 Cb 0.48 -1.17 0.20 0.00 -2.10 0.00 0.00 70.33 67.74 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 -0.75 1.83 0.00 3.42 5.75 -1.26 -4.90 116.55 120.64 1kff n ASP 67 Ca 0.51 -3.83 0.00 0.00 -0.01 0.00 0.00 54.79 51.46 1kff n ASP 67 Cb 0.77 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1kff n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kff n GLY 68 N -1.14 0.82 3.84 6.12 0.00 -1.26 -5.06 105.19 108.51 1kff n GLY 68 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.81 5.90 0.75 1.61 0.01 -1.26 -5.05 113.70 112.85 1kff s SER 69 Ca 0.00 1.56 -0.11 0.00 1.31 0.00 0.00 55.95 58.71 1kff s SER 69 Cb 0.00 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.78 1kff s SER 69 CO 0.00 -1.09 1.10 -0.83 0.41 0.00 0.00 173.24 172.83 1kff s GLY 70 N -3.72 1.63 -0.38 3.44 0.00 -1.26 -4.86 107.32 102.16 1kff s GLY 70 Ca 0.58 -0.28 -0.16 0.00 0.00 0.00 0.00 44.72 44.86 1kff s GLY 70 CO 0.49 0.12 0.36 -1.59 0.00 0.00 0.00 173.10 172.48 1kff s THR 71 N -3.27 5.18 0.30 0.90 2.01 -0.37 -4.78 115.64 115.61 1kff s THR 71 Ca 0.60 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 1kff s THR 71 Cb -0.13 -3.90 -0.12 0.00 0.01 0.00 0.00 72.50 68.36 1kff s THR 71 CO 0.53 -0.23 1.42 0.00 -0.69 0.00 0.00 174.62 175.65 1kff n ALA 72 N 5.37 1.66 -3.39 7.40 0.00 -1.26 -0.27 120.51 130.01 1kff n ALA 72 Ca -0.09 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 1kff n ALA 72 Cb 0.48 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 1kff n ALA 72 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1kff s LEU 73 N -0.68 -0.46 0.09 0.00 0.05 -0.67 -1.14 118.68 115.87 1kff s LEU 73 Ca 0.61 0.11 -0.11 0.00 0.05 0.00 0.00 54.13 54.79 1kff s LEU 73 Cb -0.57 2.49 0.01 0.00 -2.05 0.00 0.00 46.19 46.07 1kff s LEU 73 CO 0.55 -0.88 0.25 -0.83 -0.55 0.00 0.00 176.35 174.89 1kff s GLY 74 N -2.43 -0.01 0.11 -3.48 0.00 -0.93 -1.58 107.32 99.00 1kff s GLY 74 Ca -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 44.72 44.23 1kff s GLY 74 CO -0.08 -0.63 0.14 0.66 0.00 0.00 0.00 173.10 173.19 1kff s TRP 75 N -3.69 0.49 -0.05 1.90 -2.14 -0.34 -1.87 118.94 113.24 1kff s TRP 75 Ca 0.03 -0.91 0.04 0.00 2.66 0.00 0.00 56.10 57.93 1kff s TRP 75 Cb 0.03 -0.24 -0.00 0.00 -3.10 0.00 0.00 33.47 30.16 1kff s TRP 75 CO -0.10 -0.56 -0.18 0.99 -2.66 0.00 0.00 176.95 174.44 1kff s THR 76 N -3.95 1.51 -0.16 0.66 2.01 0.47 -1.37 115.64 114.81 1kff s THR 76 Ca 0.14 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1kff s THR 76 Cb 0.06 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1kff s THR 76 CO -0.04 0.43 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.47 1kff s VAL 77 N 0.03 2.57 -0.07 3.82 1.01 -0.29 -2.53 120.40 124.93 1kff s VAL 77 Ca -0.04 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 1kff s VAL 77 Cb -0.12 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1kff s VAL 77 CO 0.03 0.51 0.36 0.00 0.00 0.00 0.00 175.10 176.00 1kff s ALA 78 N 0.95 3.66 -0.84 5.51 0.00 -1.26 -1.79 121.76 127.99 1kff s ALA 78 Ca -0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1kff s ALA 78 Cb -0.15 -2.38 0.09 0.00 0.00 0.00 0.00 23.12 20.68 1kff s ALA 78 CO -0.03 0.33 2.59 0.91 0.00 0.00 0.00 175.76 179.56 1kff n TRP 79 N 2.55 2.05 -4.86 0.00 7.02 -0.29 -4.77 117.44 119.13 1kff n TRP 79 Ca -0.13 -2.33 -0.27 0.00 -1.02 0.00 0.00 57.50 53.76 1kff n TRP 79 Cb 0.52 -1.57 -0.16 0.00 -2.42 0.00 0.00 31.31 27.68 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 -1.54 1.89 0.00 -0.99 2.20 -1.26 -1.31 119.74 118.73 1kff s LYS 80 Ca 0.56 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1kff s LYS 80 Cb 0.30 -1.62 0.00 0.00 -1.51 0.00 0.00 37.83 35.00 1kff s LYS 80 CO -0.17 0.23 0.00 0.27 -0.36 0.00 0.00 175.35 175.32 1kff n ASN 81 N 3.21 0.29 0.28 1.43 0.23 -0.68 -4.78 115.26 115.24 1kff n ASN 81 Ca -0.18 -0.52 0.15 0.00 -0.53 0.00 0.00 54.58 53.49 1kff n ASN 81 Cb 0.53 0.00 0.79 0.00 -2.08 0.00 0.00 39.78 39.02 1kff n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1kff h ASN 82 N 0.00 0.00 0.00 0.53 2.35 -1.95 -3.28 115.58 113.23 1kff h ASN 82 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1kff h ASN 82 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1kff h ASN 82 CO 0.00 0.08 -1.88 -1.22 -1.65 0.00 0.00 177.43 172.77 1kff n TYR 83 N -3.44 0.00 -3.66 1.19 4.01 -1.26 -5.06 117.16 108.94 1kff n TYR 83 Ca -0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 1kff n TYR 83 Cb 0.23 -0.47 -0.05 0.00 -0.31 0.00 0.00 39.34 38.74 1kff n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1kff s ARG 84 N -3.18 0.99 -0.13 -0.72 1.70 -1.24 -5.15 118.95 111.22 1kff s ARG 84 Ca -0.07 -0.59 -0.04 0.00 -0.47 0.00 0.00 55.73 54.56 1kff s ARG 84 Cb 0.11 0.44 0.07 0.00 -0.57 0.00 0.00 34.95 34.99 1kff s ARG 84 CO 0.76 -0.36 0.25 1.21 -1.08 0.00 0.00 175.30 176.07 1kff s ASN 85 N -2.49 0.48 0.00 -2.89 3.84 -1.26 -1.68 114.94 110.94 1kff s ASN 85 Ca -0.00 0.50 0.22 0.00 0.21 0.00 0.00 52.86 53.78 1kff s ASN 85 Cb 0.01 0.64 0.52 0.00 -0.55 0.00 0.00 41.25 41.87 1kff s ASN 85 CO -0.08 -0.25 1.45 0.00 -2.79 0.00 0.00 177.10 175.43 1kff n ALA 86 N 5.35 2.43 -3.85 1.71 0.00 -0.42 -4.98 120.51 120.74 1kff n ALA 86 Ca -0.06 -0.96 -0.29 0.00 0.00 0.00 0.00 53.44 52.13 1kff n ALA 86 Cb 0.50 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 1.27 -1.74 -3.45 0.00 -0.00 -1.26 -4.86 115.22 105.19 1kff n HIS 87 Ca 0.20 0.58 -0.12 0.00 -0.00 0.00 0.00 57.72 58.38 1kff n HIS 87 Cb 0.54 -3.57 -0.03 0.00 -0.00 0.00 0.00 29.99 26.93 1kff n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1kff s SER 88 N -3.96 -0.54 -0.02 0.41 1.04 -1.26 -1.24 113.70 108.12 1kff s SER 88 Ca 0.22 0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.68 1kff s SER 88 Cb -0.09 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.65 1kff s SER 88 CO 0.88 -0.93 0.03 0.00 0.98 0.00 0.00 173.24 174.21 1kff s ALA 89 N -3.54 0.07 -0.18 5.32 0.00 0.07 -1.14 121.76 122.36 1kff s ALA 89 Ca 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.22 1kff s ALA 89 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1kff s ALA 89 CO -0.11 -0.11 0.01 0.99 0.00 0.00 0.00 175.76 176.54 1kff s THR 90 N 1.07 4.27 -0.16 0.00 2.01 -0.74 -0.95 115.64 121.15 1kff s THR 90 Ca -0.09 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 1kff s THR 90 Cb -0.13 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 1kff s THR 90 CO -0.03 0.46 -0.09 0.42 -0.69 0.00 0.00 174.62 174.69 1kff s THR 91 N 0.55 3.28 -0.16 -0.82 -4.23 -0.18 -1.13 115.64 112.95 1kff s THR 91 Ca 0.00 -0.56 -0.12 0.00 -1.18 0.00 0.00 61.69 59.83 1kff s THR 91 Cb -0.14 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.23 1kff s THR 91 CO 0.02 0.49 0.23 0.26 -0.54 0.00 0.00 174.62 175.09 1kff s TRP 92 N 0.66 3.46 -0.08 3.99 0.51 -0.47 -1.62 118.94 125.39 1kff s TRP 92 Ca -0.05 0.52 0.03 0.00 -2.12 0.00 0.00 56.10 54.48 1kff s TRP 92 Cb -0.15 -2.25 0.01 0.00 -0.81 0.00 0.00 33.47 30.26 1kff s TRP 92 CO 0.02 0.30 -0.19 0.45 -0.51 0.00 0.00 176.95 177.03 1kff s SER 93 N 0.28 2.49 0.00 2.95 0.15 0.07 -1.20 113.70 118.44 1kff s SER 93 Ca 0.14 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1kff s SER 93 Cb -0.12 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.06 1kff s SER 93 CO 0.02 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1kff n GLY 94 N 3.63 -0.63 3.19 9.45 0.00 -0.61 -0.85 105.19 119.37 1kff n GLY 94 Ca -0.21 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.10 0.41 0.04 1.61 -2.07 -0.31 -1.66 119.66 117.57 1kff s GLN 95 Ca 0.00 0.27 -0.24 0.00 -1.82 0.00 0.00 55.36 53.57 1kff s GLN 95 Cb 0.00 0.19 -0.06 0.00 -1.09 0.00 0.00 33.01 32.06 1kff s GLN 95 CO 0.00 -0.07 0.72 -0.47 -1.32 0.00 0.00 175.29 174.15 1kff s TYR 96 N -0.18 3.74 -0.16 9.60 5.04 0.62 -0.77 117.35 135.23 1kff s TYR 96 Ca -0.03 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 1kff s TYR 96 Cb -0.03 -2.76 0.04 0.00 0.35 0.00 0.00 41.96 39.56 1kff s TYR 96 CO 0.01 0.32 -0.09 0.08 -1.34 0.00 0.00 175.55 174.53 1kff s VAL 97 N -0.19 1.34 0.84 3.14 1.01 0.14 -1.23 120.40 125.45 1kff s VAL 97 Ca 0.36 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1kff s VAL 97 Cb -0.20 -1.41 0.16 0.00 0.00 0.00 0.00 36.38 34.93 1kff s VAL 97 CO 0.22 0.24 1.16 -0.83 0.00 0.00 0.00 175.10 175.89 1kff s GLY 98 N 1.55 1.77 0.00 4.51 0.00 -1.26 -0.81 107.32 113.08 1kff s GLY 98 Ca 0.02 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1kff s GLY 98 CO -0.09 -0.76 0.00 0.61 0.00 0.00 0.00 173.10 172.86 1kff n GLY 99 N -3.30 -0.61 0.27 0.20 0.00 -1.26 -4.57 105.19 95.91 1kff n GLY 99 Ca 0.15 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 1kff n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kff h ALA 100 N 0.00 0.73 -0.42 4.61 0.00 -2.06 -3.08 119.26 119.03 1kff h ALA 100 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 54.91 54.25 1kff h ALA 100 Cb 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 17.79 17.43 1kff h ALA 100 CO 0.00 0.46 0.24 0.39 0.00 0.00 0.00 179.25 180.35 1kff n GLU 101 N -4.37 2.26 -1.81 0.00 -0.58 -1.26 -5.00 120.64 109.88 1kff n GLU 101 Ca 0.02 -2.00 -0.42 0.00 -0.42 0.00 0.00 57.16 54.34 1kff n GLU 101 Cb 0.26 -2.06 -0.03 0.00 -0.57 0.00 0.00 31.44 29.05 1kff n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kff s ALA 102 N -1.20 3.83 -0.02 0.62 0.00 -1.16 -4.92 121.76 118.90 1kff s ALA 102 Ca 0.57 1.52 -0.10 0.00 0.00 0.00 0.00 51.96 53.95 1kff s ALA 102 Cb 0.35 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1kff s ALA 102 CO -0.16 -0.89 0.22 1.03 0.00 0.00 0.00 175.76 175.96 1kff s ARG 103 N 0.62 0.51 -0.29 0.00 0.52 0.01 -4.10 118.95 116.22 1kff s ARG 103 Ca 0.70 -0.18 -0.05 0.00 -0.52 0.00 0.00 55.73 55.68 1kff s ARG 103 Cb -0.47 0.22 0.02 0.00 0.52 0.00 0.00 34.95 35.24 1kff s ARG 103 CO 0.37 -0.12 0.05 0.42 0.02 0.00 0.00 175.30 176.03 1kff s ILE 104 N -1.06 3.68 -0.20 1.52 1.01 -0.36 0.26 121.20 126.05 1kff s ILE 104 Ca -0.11 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.61 1kff s ILE 104 Cb -0.06 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1kff s ILE 104 CO 0.02 0.07 0.09 0.20 0.00 0.00 0.00 174.94 175.32 1kff s ASN 105 N 1.44 5.76 0.12 3.58 0.01 0.05 -0.61 114.94 125.29 1kff s ASN 105 Ca 0.01 0.08 0.03 0.00 -0.71 0.00 0.00 52.86 52.28 1kff s ASN 105 Cb -0.17 -2.00 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 1kff s ASN 105 CO 0.01 0.14 -0.08 0.42 -1.51 0.00 0.00 177.10 176.07 1kff s THR 106 N 0.60 0.93 0.11 1.60 -4.23 0.05 -1.16 115.64 113.54 1kff s THR 106 Ca 0.05 -1.99 0.09 0.00 -1.18 0.00 0.00 61.69 58.67 1kff s THR 106 Cb -0.13 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 1kff s THR 106 CO 0.01 -0.80 -0.24 -1.10 -0.54 0.00 0.00 174.62 171.95 1kff s GLN 107 N -3.75 1.30 0.09 3.99 -0.21 -0.03 -1.80 119.66 119.25 1kff s GLN 107 Ca 0.14 -1.22 0.02 0.00 0.02 0.00 0.00 55.36 54.32 1kff s GLN 107 Cb 0.04 -1.65 -0.04 0.00 1.00 0.00 0.00 33.01 32.36 1kff s GLN 107 CO -0.02 0.39 -0.08 1.67 -2.12 0.00 0.00 175.29 175.13 1kff s TRP 108 N -1.07 0.92 -0.10 0.91 1.48 -0.12 -0.75 118.94 120.21 1kff s TRP 108 Ca 0.10 -0.77 0.01 0.00 -1.06 0.00 0.00 56.10 54.38 1kff s TRP 108 Cb -0.10 -0.52 0.02 0.00 -1.16 0.00 0.00 33.47 31.71 1kff s TRP 108 CO 0.05 -0.09 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.22 1kff s LEU 109 N -2.64 1.52 -0.32 -4.66 1.43 -0.64 -1.39 118.68 111.98 1kff s LEU 109 Ca 0.07 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1kff s LEU 109 Cb 0.00 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.34 1kff s LEU 109 CO -0.02 -0.03 0.07 -0.22 0.23 0.00 0.00 176.35 176.38 1kff s LEU 110 N 1.14 4.15 -0.22 1.79 0.20 -0.03 -1.01 118.68 124.71 1kff s LEU 110 Ca -0.05 -1.13 -0.07 0.00 0.69 0.00 0.00 54.13 53.57 1kff s LEU 110 Cb -0.14 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.76 1kff s LEU 110 CO -0.03 -0.29 0.06 -0.89 -0.29 0.00 0.00 176.35 174.91 1kff s THR 111 N 1.37 4.45 0.05 3.68 2.01 -0.12 -0.83 115.64 126.25 1kff s THR 111 Ca -0.02 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1kff s THR 111 Cb -0.19 -3.05 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 1kff s THR 111 CO 0.02 0.39 0.40 -0.44 -0.69 0.00 0.00 174.62 174.30 1kff s SER 112 N 1.12 6.69 -0.00 3.53 0.01 -0.46 -0.75 113.70 123.84 1kff s SER 112 Ca 0.04 0.84 -0.30 0.00 1.31 0.00 0.00 55.95 57.84 1kff s SER 112 Cb -0.14 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 1kff s SER 112 CO 0.03 0.22 1.37 -0.83 0.41 0.00 0.00 173.24 174.44 1kff s GLY 113 N -1.54 1.91 0.32 3.44 0.00 -0.38 -4.84 107.32 106.23 1kff s GLY 113 Ca 0.30 0.85 0.03 0.00 0.00 0.00 0.00 44.72 45.90 1kff s GLY 113 CO 0.16 2.45 0.10 -0.51 0.00 0.00 0.00 173.10 175.30 1kff s THR 114 N 2.28 0.76 0.80 0.90 -4.23 -1.26 -5.01 115.64 109.88 1kff s THR 114 Ca 0.63 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 1kff s THR 114 Cb -0.31 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 70.99 1kff s THR 114 CO 0.26 0.00 1.13 0.42 -0.54 0.00 0.00 174.62 175.89 1kff s THR 115 N -3.46 2.63 0.47 3.99 -4.23 -1.26 -4.88 115.64 108.89 1kff s THR 115 Ca 0.34 0.20 0.23 0.00 -1.18 0.00 0.00 61.69 61.29 1kff s THR 115 Cb 0.07 -3.09 0.27 0.00 1.34 0.00 0.00 72.50 71.09 1kff s THR 115 CO 0.15 -0.27 2.09 -0.33 -0.54 0.00 0.00 174.62 175.73 1kff h GLU 116 N -1.06 0.00 0.01 3.99 5.08 -2.01 -2.23 114.58 118.37 1kff h GLU 116 Ca -0.47 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.69 1kff h GLU 116 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1kff h GLU 116 CO 0.63 0.11 -0.94 0.00 -1.00 0.00 0.00 179.01 177.80 1kff h ALA 117 N 1.89 0.45 -0.38 3.43 0.00 -2.06 -3.07 119.26 119.53 1kff h ALA 117 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1kff h ALA 117 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1kff h ALA 117 CO 0.01 1.10 0.00 0.09 0.00 0.00 0.00 179.25 180.45 1kff n ASN 118 N -3.49 2.45 0.21 0.00 3.02 -0.89 -4.42 115.26 112.14 1kff n ASN 118 Ca -0.02 -1.92 0.04 0.00 -0.03 0.00 0.00 54.58 52.66 1kff n ASN 118 Cb 0.88 -0.25 0.45 0.00 -0.61 0.00 0.00 39.78 40.24 1kff n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kff h ALA 119 N 4.02 1.51 -0.72 5.41 0.00 -1.33 -1.14 119.26 127.02 1kff h ALA 119 Ca 0.00 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.81 1kff h ALA 119 Cb 0.65 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1kff h ALA 119 CO 0.00 0.34 0.48 0.11 0.00 0.00 0.00 179.25 180.18 1kff h TRP 120 N 0.00 0.41 -0.66 0.00 5.08 -1.81 -2.41 115.95 116.55 1kff h TRP 120 Ca -0.00 0.01 -0.42 0.00 1.08 0.00 0.00 58.89 59.56 1kff h TRP 120 Cb 0.49 -0.13 -0.25 0.00 -3.00 0.00 0.00 29.16 26.27 1kff h TRP 120 CO 0.00 0.16 0.03 0.36 -1.28 0.00 0.00 178.44 177.71 1kff n LYS 121 N -4.46 2.50 0.16 0.12 2.85 -0.43 -4.75 118.16 114.14 1kff n LYS 121 Ca 0.14 -3.44 0.03 0.00 -1.05 0.00 0.00 58.31 53.99 1kff n LYS 121 Cb 0.53 -2.08 0.16 0.00 -0.65 0.00 0.00 35.03 33.00 1kff n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1kff h SER 122 N 1.51 0.00 -3.17 -5.58 4.64 -1.44 -3.46 113.55 106.05 1kff h SER 122 Ca 0.39 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.17 1kff h SER 122 Cb 1.57 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.29 1kff h SER 122 CO 0.83 0.48 -0.81 -0.89 -0.87 0.00 0.00 176.83 175.57 1kff s THR 123 N -3.23 1.15 0.27 2.95 2.01 -1.25 -1.35 115.64 116.19 1kff s THR 123 Ca 0.02 -0.37 -0.13 0.00 0.31 0.00 0.00 61.69 61.53 1kff s THR 123 Cb 0.09 -1.14 -0.08 0.00 0.01 0.00 0.00 72.50 71.38 1kff s THR 123 CO 0.72 0.39 0.64 -0.76 -0.69 0.00 0.00 174.62 174.93 1kff s LEU 124 N 1.63 4.13 -0.01 4.42 1.43 -0.01 -4.92 118.68 125.34 1kff s LEU 124 Ca 0.04 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.29 1kff s LEU 124 Cb -0.13 -3.86 -0.00 0.00 0.03 0.00 0.00 46.19 42.23 1kff s LEU 124 CO -0.08 -0.13 -0.10 0.54 0.23 0.00 0.00 176.35 176.81 1kff s VAL 125 N -1.88 0.83 0.00 -1.59 0.11 -1.26 -0.85 120.40 115.76 1kff s VAL 125 Ca 0.50 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1kff s VAL 125 Cb -0.11 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 1kff s VAL 125 CO 0.19 0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 1kff n GLY 126 N 2.99 3.17 3.04 6.54 0.00 -0.48 -5.01 105.19 115.44 1kff n GLY 126 Ca -0.15 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 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 -4.89 0.31 -0.15 1.61 -3.43 -1.26 -0.94 115.29 106.54 1kff s HIS 127 Ca 0.00 -0.65 -0.14 0.00 -0.80 0.00 0.00 55.06 53.47 1kff s HIS 127 Cb 0.00 -0.23 0.04 0.00 -1.43 0.00 0.00 32.58 30.96 1kff s HIS 127 CO 0.00 -0.28 0.40 -0.51 -2.00 0.00 0.00 174.74 172.34 1kff s ASP 128 N -2.00 -0.41 -0.14 7.38 1.01 -0.74 -4.94 116.67 116.82 1kff s ASP 128 Ca -0.07 0.80 -0.01 0.00 0.71 0.00 0.00 52.55 53.98 1kff s ASP 128 Cb -0.03 0.81 -0.01 0.00 1.01 0.00 0.00 42.92 44.69 1kff s ASP 128 CO -0.04 -0.14 -0.12 -0.89 0.21 0.00 0.00 175.17 174.19 1kff s THR 129 N 0.21 3.07 -0.01 -1.27 2.01 -1.26 -0.77 115.64 117.62 1kff s THR 129 Ca -0.00 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1kff s THR 129 Cb -0.03 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1kff s THR 129 CO 0.01 0.51 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.07 1kff s PHE 130 N 0.52 3.03 0.23 4.92 0.40 0.22 -3.89 117.98 123.41 1kff s PHE 130 Ca -0.08 0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.33 1kff s PHE 130 Cb -0.16 -1.67 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 1kff s PHE 130 CO 0.04 0.43 0.02 0.95 0.70 0.00 0.00 175.22 177.36 1kff s THR 131 N -1.03 0.93 -1.26 0.64 -4.23 -0.39 -1.22 115.64 109.07 1kff s THR 131 Ca 0.18 -2.02 0.27 0.00 -1.18 0.00 0.00 61.69 58.93 1kff s THR 131 Cb -0.11 -2.39 0.17 0.00 1.34 0.00 0.00 72.50 71.51 1kff s THR 131 CO 0.08 -0.28 1.60 0.29 -0.54 0.00 0.00 174.62 175.77 1kff n LYS 132 N -0.42 0.28 -4.25 3.99 5.02 -1.26 -1.29 118.16 120.24 1kff n LYS 132 Ca -0.04 -0.14 -0.15 0.00 -2.02 0.00 0.00 58.31 55.96 1kff n LYS 132 Cb 0.64 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.05 1kff n LYS 132 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1kff s VAL 133 N -2.81 1.22 -2.82 -0.18 -7.23 -1.26 -4.89 120.40 102.44 1kff s VAL 133 Ca 0.17 -1.97 0.25 0.00 -1.81 0.00 0.00 61.98 58.62 1kff s VAL 133 Cb 0.18 -1.76 0.32 0.00 0.56 0.00 0.00 36.38 35.68 1kff s VAL 133 CO 0.60 -0.66 1.44 1.17 -0.31 0.00 0.00 175.10 177.34