#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kff n GLY 16 N 0.00 2.40 0.10 0.00 0.00 -1.26 -4.53 105.19 101.90 1kff n GLY 16 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1kff n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1kff h ILE 17 N 0.00 1.00 -2.74 -0.61 2.04 -1.97 -3.45 117.51 111.78 1kff h ILE 17 Ca 0.00 -2.75 -0.55 0.00 1.00 0.00 0.00 64.86 62.56 1kff h ILE 17 Cb 0.00 2.59 0.07 0.00 -0.74 0.00 0.00 36.82 38.74 1kff h ILE 17 CO 0.00 0.72 0.86 0.41 0.00 0.00 0.00 178.15 180.14 1kff n THR 18 N -3.29 0.46 0.00 -0.27 -1.04 -1.26 -4.78 114.28 104.10 1kff n THR 18 Ca -0.17 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1kff n THR 18 Cb 1.04 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 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 3.01 0.86 3.64 3.41 0.00 -0.43 -4.99 105.19 110.69 1kff n GLY 19 Ca 0.13 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.07 4.39 0.02 2.61 2.01 -1.26 -1.09 115.64 120.25 1kff s THR 20 Ca 0.00 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.83 1kff s THR 20 Cb 0.00 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 1kff s THR 20 CO 0.00 0.55 -0.11 0.26 -0.69 0.00 0.00 174.62 174.63 1kff s TRP 21 N -0.35 0.94 0.01 4.92 0.52 -0.09 -4.63 118.94 120.26 1kff s TRP 21 Ca 0.07 -0.31 0.06 0.00 0.02 0.00 0.00 56.10 55.95 1kff s TRP 21 Cb -0.12 -0.57 -0.02 0.00 -1.15 0.00 0.00 33.47 31.61 1kff s TRP 21 CO 0.02 -0.00 -0.20 0.71 0.02 0.00 0.00 176.95 177.50 1kff s TYR 22 N -0.74 1.75 0.49 -1.98 2.02 0.03 -0.79 117.35 118.13 1kff s TYR 22 Ca -0.00 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.41 1kff s TYR 22 Cb -0.07 -1.09 0.06 0.00 -0.40 0.00 0.00 41.96 40.47 1kff s TYR 22 CO 0.01 0.02 0.51 0.27 -1.57 0.00 0.00 175.55 174.79 1kff n ASN 23 N 2.25 2.24 0.05 2.29 6.94 -0.72 -1.06 115.26 127.25 1kff n ASN 23 Ca -0.16 -2.52 -0.17 0.00 -0.02 0.00 0.00 54.58 51.71 1kff n ASN 23 Cb 0.53 -0.18 -0.07 0.00 -2.36 0.00 0.00 39.78 37.70 1kff n ASN 23 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1kff h GLN 24 N 0.00 0.57 0.00 -3.83 4.20 -1.90 -3.25 115.11 110.90 1kff h GLN 24 Ca -0.28 -0.59 0.00 0.00 0.06 0.00 0.00 58.65 57.84 1kff h GLN 24 Cb 1.10 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1kff h GLN 24 CO 0.42 1.21 0.00 1.28 -0.67 0.00 0.00 178.83 181.07 1kff n LEU 25 N -3.81 0.00 0.00 1.46 4.77 -1.26 -4.78 117.00 113.38 1kff n LEU 25 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1kff n LEU 25 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1kff n LEU 25 CO 0.53 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1kff n GLY 26 N -0.14 0.80 3.92 -0.72 0.00 -1.23 -4.77 105.19 103.06 1kff n GLY 26 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.31 6.31 -0.01 1.61 0.01 -1.26 -3.65 113.70 114.40 1kff s SER 27 Ca 0.00 0.74 0.02 0.00 1.31 0.00 0.00 55.95 58.03 1kff s SER 27 Cb 0.00 -2.16 -0.00 0.00 0.21 0.00 0.00 66.02 64.06 1kff s SER 27 CO 0.00 -0.42 -0.07 -0.89 0.41 0.00 0.00 173.24 172.27 1kff s THR 28 N -2.49 0.54 -0.01 1.44 2.01 0.23 -1.76 115.64 115.60 1kff s THR 28 Ca 0.45 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1kff s THR 28 Cb -0.10 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 71.96 1kff s THR 28 CO 0.39 0.15 -0.02 0.72 -0.69 0.00 0.00 174.62 175.18 1kff s PHE 29 N -0.14 0.26 -0.26 4.92 -0.12 0.03 -0.91 117.98 121.76 1kff s PHE 29 Ca 0.02 -0.03 -0.04 0.00 -0.05 0.00 0.00 56.93 56.83 1kff s PHE 29 Cb -0.03 -0.24 0.01 0.00 -0.63 0.00 0.00 43.02 42.13 1kff s PHE 29 CO -0.00 -0.05 0.00 0.42 -0.05 0.00 0.00 175.22 175.54 1kff s ILE 30 N 0.32 3.43 0.09 -4.49 1.01 -0.05 -0.91 121.20 120.59 1kff s ILE 30 Ca -0.03 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.91 1kff s ILE 30 Cb -0.05 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 1kff s ILE 30 CO -0.01 0.19 -0.17 0.54 0.00 0.00 0.00 174.94 175.50 1kff s VAL 31 N 1.43 1.37 -0.15 2.92 0.11 -0.25 -1.03 120.40 124.79 1kff s VAL 31 Ca 0.02 -1.42 0.01 0.00 -2.93 0.00 0.00 61.98 57.66 1kff s VAL 31 Cb -0.16 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.40 1kff s VAL 31 CO -0.01 -0.17 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.53 1kff s THR 32 N -1.26 2.49 -0.24 5.04 2.01 0.26 -1.31 115.64 122.63 1kff s THR 32 Ca 0.02 -0.83 -0.14 0.00 0.31 0.00 0.00 61.69 61.05 1kff s THR 32 Cb -0.10 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1kff s THR 32 CO 0.03 0.53 0.31 0.00 -0.69 0.00 0.00 174.62 174.80 1kff s ALA 33 N 0.76 3.57 0.36 7.40 0.00 -1.26 -2.01 121.76 130.58 1kff s ALA 33 Ca -0.07 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1kff s ALA 33 Cb -0.16 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 1kff s ALA 33 CO 0.00 -0.44 0.54 0.20 0.00 0.00 0.00 175.76 176.06 1kff s GLY 34 N 1.34 1.44 0.34 0.00 0.00 0.10 -4.90 107.32 105.64 1kff s GLY 34 Ca 0.14 -1.12 0.15 0.00 0.00 0.00 0.00 44.72 43.88 1kff s GLY 34 CO 0.08 -1.04 1.72 0.00 0.00 0.00 0.00 173.10 173.86 1kff h ALA 35 N 0.75 1.06 -0.15 3.20 0.00 -1.98 -2.89 119.26 119.26 1kff h ALA 35 Ca -0.48 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1kff h ALA 35 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kff h ALA 35 CO 0.58 0.57 0.00 -0.40 0.00 0.00 0.00 179.25 180.00 1kff n ASP 36 N -3.73 1.83 0.00 0.00 5.75 -1.26 -4.87 116.55 114.26 1kff n ASP 36 Ca -0.01 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 1kff n ASP 36 Cb 0.52 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.33 0.81 3.76 6.12 0.00 -1.09 -4.98 105.19 110.14 1kff n GLY 37 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.70 3.45 -0.14 4.61 0.00 -1.26 -1.42 121.76 124.30 1kff s ALA 38 Ca 0.00 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.04 1kff s ALA 38 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1kff s ALA 38 CO 0.00 -0.38 -0.21 -0.51 0.00 0.00 0.00 175.76 174.66 1kff s LEU 39 N -1.58 2.15 0.06 0.00 1.43 -0.76 0.01 118.68 119.98 1kff s LEU 39 Ca 0.47 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1kff s LEU 39 Cb -0.35 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1kff s LEU 39 CO 0.46 0.08 -0.05 0.42 0.23 0.00 0.00 176.35 177.49 1kff s THR 40 N 0.81 0.44 -3.64 5.49 -4.23 -0.85 -1.58 115.64 112.07 1kff s THR 40 Ca -0.07 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1kff s THR 40 Cb -0.16 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1kff s THR 40 CO -0.02 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 1kff n GLY 41 N 0.65 -0.52 2.92 3.99 0.00 -1.08 -0.57 105.19 110.58 1kff n GLY 41 Ca -0.17 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 1kff n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kff s THR 42 N -3.00 0.23 -0.12 2.61 2.01 -0.20 -1.43 115.64 115.74 1kff s THR 42 Ca 0.00 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1kff s THR 42 Cb 0.00 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.30 1kff s THR 42 CO 0.00 0.06 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.37 1kff s TYR 43 N -0.09 2.76 -0.15 4.92 6.14 0.12 -0.87 117.35 130.19 1kff s TYR 43 Ca 0.01 -0.66 0.01 0.00 0.64 0.00 0.00 57.07 57.07 1kff s TYR 43 Cb -0.01 -1.80 0.02 0.00 0.42 0.00 0.00 41.96 40.58 1kff s TYR 43 CO -0.00 -0.21 -0.17 0.08 0.64 0.00 0.00 175.55 175.89 1kff s VAL 44 N 0.25 1.76 0.81 3.14 1.01 -0.08 -0.22 120.40 127.07 1kff s VAL 44 Ca -0.10 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1kff s VAL 44 Cb -0.16 -1.61 0.12 0.00 0.00 0.00 0.00 36.38 34.74 1kff s VAL 44 CO 0.06 0.49 1.15 0.42 0.00 0.00 0.00 175.10 177.22 1kff s THR 45 N 1.21 2.11 0.41 3.92 -4.23 -0.84 -0.60 115.64 117.61 1kff s THR 45 Ca 0.00 -0.17 0.19 0.00 -1.18 0.00 0.00 61.69 60.53 1kff s THR 45 Cb -0.14 -2.94 0.40 0.00 1.34 0.00 0.00 72.50 71.16 1kff s THR 45 CO -0.08 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.81 1kff h ALA 46 N -1.03 2.27 -0.96 3.99 0.00 -1.86 -1.83 119.26 119.84 1kff h ALA 46 Ca -0.44 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1kff h ALA 46 Cb 1.28 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1kff h ALA 46 CO 0.51 -0.62 0.62 -0.09 0.00 0.00 0.00 179.25 179.68 1kff h ARG 47 N 0.38 1.15 0.00 0.00 9.65 -1.92 -3.47 114.38 120.16 1kff h ARG 47 Ca 0.54 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.35 1kff h ARG 47 Cb 1.40 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1kff h ARG 47 CO -0.23 0.76 0.00 0.41 2.80 0.00 0.00 179.97 183.71 1kff n GLY 48 N -1.36 1.56 3.89 2.80 0.00 -0.69 -5.05 105.19 106.34 1kff n GLY 48 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 1.34 -0.28 1.61 0.23 -1.26 -4.91 115.26 111.99 1kff n ASN 49 Ca 0.00 -2.13 0.23 0.00 -0.53 0.00 0.00 54.58 52.15 1kff n ASN 49 Cb 0.00 -0.65 0.55 0.00 -2.08 0.00 0.00 39.78 37.60 1kff n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kff h ALA 50 N -0.62 2.36 0.00 -2.53 0.00 -1.97 0.43 119.26 116.93 1kff h ALA 50 Ca -0.33 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1kff h ALA 50 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1kff h ALA 50 CO 0.35 -0.71 0.00 0.39 0.00 0.00 0.00 179.25 179.29 1kff n GLU 51 N -4.51 0.02 -0.47 0.00 4.71 -1.26 -1.76 120.64 117.38 1kff n GLU 51 Ca 0.23 0.16 0.07 0.00 -0.01 0.00 0.00 57.16 57.61 1kff n GLU 51 Cb 0.86 -1.53 0.24 0.00 -1.01 0.00 0.00 31.44 29.99 1kff n GLU 51 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1kff n SER 52 N -1.57 3.57 -4.51 1.62 7.64 0.15 -4.85 113.62 115.67 1kff n SER 52 Ca 0.05 -3.13 -0.34 0.00 1.01 0.00 0.00 58.87 56.46 1kff n SER 52 Cb 0.25 -0.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.78 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 -2.90 3.66 0.08 1.43 0.52 -0.72 -2.00 118.95 119.03 1kff s ARG 53 Ca 0.42 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 55.18 1kff s ARG 53 Cb 0.35 -2.92 -0.03 0.00 0.52 0.00 0.00 34.95 32.86 1kff s ARG 53 CO 0.07 0.27 -0.15 0.71 0.02 0.00 0.00 175.30 176.22 1kff s TYR 54 N 0.30 1.31 0.26 -0.53 1.51 0.69 -4.78 117.35 116.11 1kff s TYR 54 Ca -0.03 -0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 55.27 1kff s TYR 54 Cb -0.14 -0.73 -0.09 0.00 -0.11 0.00 0.00 41.96 40.89 1kff s TYR 54 CO 0.03 0.08 1.08 0.08 -1.11 0.00 0.00 175.55 175.71 1kff s VAL 55 N -1.36 3.59 0.06 0.71 1.01 -1.26 -0.70 120.40 122.45 1kff s VAL 55 Ca 0.00 1.57 0.09 0.00 0.00 0.00 0.00 61.98 63.64 1kff s VAL 55 Cb -0.09 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1kff s VAL 55 CO 0.03 0.36 -0.23 -1.48 0.00 0.00 0.00 175.10 173.78 1kff s LEU 56 N -1.28 2.37 0.00 3.92 0.05 -0.52 -4.42 118.68 118.80 1kff s LEU 56 Ca 0.45 -0.56 -0.00 0.00 0.05 0.00 0.00 54.13 54.06 1kff s LEU 56 Cb -0.31 -1.37 -0.00 0.00 -2.05 0.00 0.00 46.19 42.46 1kff s LEU 56 CO 0.39 0.24 0.00 0.28 -0.55 0.00 0.00 176.35 176.71 1kff s THR 57 N -0.91 0.02 0.00 5.48 -1.32 -0.92 -2.63 115.64 115.36 1kff s THR 57 Ca 0.13 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 1kff s THR 57 Cb -0.10 -0.07 0.00 0.00 -1.51 0.00 0.00 72.50 70.82 1kff s THR 57 CO 0.04 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 1kff n GLY 58 N 2.77 1.99 3.20 6.08 0.00 -0.61 -0.44 105.19 118.18 1kff n GLY 58 Ca -0.14 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.23 0.73 0.07 1.61 1.81 -0.52 -1.83 118.95 120.59 1kff s ARG 59 Ca 0.00 -0.58 -0.11 0.00 -1.72 0.00 0.00 55.73 53.33 1kff s ARG 59 Cb 0.00 0.31 0.01 0.00 -0.45 0.00 0.00 34.95 34.82 1kff s ARG 59 CO 0.00 -0.22 0.24 1.52 -0.68 0.00 0.00 175.30 176.16 1kff s TYR 60 N -2.52 0.04 -0.39 -0.53 1.13 -0.51 -1.47 117.35 113.09 1kff s TYR 60 Ca -0.05 -0.35 -0.29 0.00 -1.41 0.00 0.00 57.07 54.97 1kff s TYR 60 Cb -0.01 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.87 1kff s TYR 60 CO -0.03 -0.53 1.49 0.34 -2.51 0.00 0.00 175.55 174.31 1kff s ASP 61 N -2.52 6.25 0.00 -0.18 -1.08 -0.72 -4.55 116.67 113.88 1kff s ASP 61 Ca 0.01 0.93 0.30 0.00 -0.52 0.00 0.00 52.55 53.26 1kff s ASP 61 Cb 0.02 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.36 1kff s ASP 61 CO -0.08 -1.48 1.98 -1.54 0.52 0.00 0.00 175.17 174.57 1kff n SER 62 N 9.09 0.19 -3.23 -0.34 3.41 -1.26 -4.07 113.62 117.41 1kff n SER 62 Ca 0.18 -0.36 -0.24 0.00 -0.26 0.00 0.00 58.87 58.18 1kff n SER 62 Cb 0.48 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.14 2.80 -1.16 7.33 0.00 -1.26 -5.03 120.51 122.05 1kff n ALA 63 Ca 0.15 -3.73 -0.29 0.00 0.00 0.00 0.00 53.44 49.57 1kff n ALA 63 Cb 0.25 -0.84 0.16 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.66 0.73 0.96 0.00 0.04 -1.26 -5.00 135.00 128.81 1kff s PRO 64 Ca 0.37 0.67 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 1kff s PRO 64 Cb 0.19 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 33.14 1kff s PRO 64 CO -0.09 -2.57 1.11 0.00 0.04 0.00 0.00 177.00 175.50 1kff s ALA 65 N -2.93 1.10 -1.33 8.56 0.00 -1.26 -4.98 121.76 120.93 1kff s ALA 65 Ca 0.65 0.36 0.11 0.00 0.00 0.00 0.00 51.96 53.08 1kff s ALA 65 Cb -0.19 -3.37 0.14 0.00 0.00 0.00 0.00 23.12 19.70 1kff s ALA 65 CO 0.58 -2.90 0.96 0.25 0.00 0.00 0.00 175.76 174.64 1kff n THR 66 N -4.31 0.23 0.95 0.00 -2.24 -1.26 -4.54 114.28 103.11 1kff n THR 66 Ca 0.09 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1kff n THR 66 Cb 0.53 1.07 0.02 0.00 -2.10 0.00 0.00 70.33 69.84 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 0.63 0.00 0.00 3.42 5.68 -1.26 -4.81 116.55 120.20 1kff n ASP 67 Ca 0.08 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.43 1kff n ASP 67 Cb 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 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 -0.02 0.75 3.78 6.12 0.00 -1.26 -5.06 105.19 109.49 1kff n GLY 68 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.57 4.51 0.94 1.61 0.01 -1.26 -5.05 113.70 111.90 1kff s SER 69 Ca 0.00 1.51 -0.12 0.00 1.31 0.00 0.00 55.95 58.65 1kff s SER 69 Cb 0.00 -2.27 0.16 0.00 0.21 0.00 0.00 66.02 64.12 1kff s SER 69 CO 0.00 -1.98 1.13 -0.83 0.41 0.00 0.00 173.24 171.96 1kff s GLY 70 N -3.69 1.57 -0.26 3.44 0.00 -1.26 -4.89 107.32 102.23 1kff s GLY 70 Ca 0.61 -0.49 -0.06 0.00 0.00 0.00 0.00 44.72 44.77 1kff s GLY 70 CO 0.55 0.09 0.04 -1.59 0.00 0.00 0.00 173.10 172.19 1kff s THR 71 N -3.19 3.93 0.40 0.90 2.01 -0.74 -4.80 115.64 114.15 1kff s THR 71 Ca 0.64 -0.43 -0.24 0.00 0.31 0.00 0.00 61.69 61.97 1kff s THR 71 Cb -0.16 -2.89 -0.09 0.00 0.01 0.00 0.00 72.50 69.37 1kff s THR 71 CO 0.55 0.28 1.03 0.00 -0.69 0.00 0.00 174.62 175.78 1kff s ALA 72 N 1.54 3.08 0.32 7.40 0.00 -1.26 -1.00 121.76 131.84 1kff s ALA 72 Ca 0.05 0.64 -0.18 0.00 0.00 0.00 0.00 51.96 52.47 1kff s ALA 72 Cb -0.16 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.76 1kff s ALA 72 CO 0.01 -0.15 0.80 -0.48 0.00 0.00 0.00 175.76 175.95 1kff s LEU 73 N -2.70 -0.09 -0.03 0.00 0.05 -0.33 -1.75 118.68 113.83 1kff s LEU 73 Ca 0.58 -0.90 -0.30 0.00 0.05 0.00 0.00 54.13 53.56 1kff s LEU 73 Cb -0.20 2.70 0.11 0.00 -2.05 0.00 0.00 46.19 46.75 1kff s LEU 73 CO 0.25 -1.48 0.98 -0.83 -0.55 0.00 0.00 176.35 174.72 1kff s GLY 74 N -3.05 -0.40 0.21 -3.48 0.00 -0.55 -1.69 107.32 98.37 1kff s GLY 74 Ca 0.14 1.05 -0.17 0.00 0.00 0.00 0.00 44.72 45.74 1kff s GLY 74 CO 0.09 0.34 0.54 0.66 0.00 0.00 0.00 173.10 174.73 1kff s TRP 75 N -2.95 -0.08 0.01 1.90 -2.14 -0.68 -1.44 118.94 113.55 1kff s TRP 75 Ca 0.07 -0.27 0.03 0.00 2.66 0.00 0.00 56.10 58.58 1kff s TRP 75 Cb -0.01 0.40 -0.01 0.00 -3.10 0.00 0.00 33.47 30.76 1kff s TRP 75 CO -0.07 -0.95 -0.09 0.99 -2.66 0.00 0.00 176.95 174.17 1kff s THR 76 N -3.89 0.68 -0.07 0.66 2.01 0.42 -1.29 115.64 114.16 1kff s THR 76 Ca 0.11 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1kff s THR 76 Cb -0.01 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.91 1kff s THR 76 CO -0.01 0.08 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.19 1kff s VAL 77 N -0.43 1.16 -0.18 3.82 1.01 -0.03 -2.17 120.40 123.57 1kff s VAL 77 Ca 0.01 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 1kff s VAL 77 Cb -0.05 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1kff s VAL 77 CO 0.00 0.36 0.12 0.00 0.00 0.00 0.00 175.10 175.59 1kff s ALA 78 N 0.65 3.70 -1.36 5.51 0.00 -1.26 -0.14 121.76 128.86 1kff s ALA 78 Ca -0.15 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 1kff s ALA 78 Cb -0.16 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 1kff s ALA 78 CO 0.04 0.26 2.87 0.91 0.00 0.00 0.00 175.76 179.84 1kff n TRP 79 N 3.19 2.22 -3.83 0.00 7.02 -0.12 -4.76 117.44 121.16 1kff n TRP 79 Ca -0.17 -2.84 -0.15 0.00 -1.02 0.00 0.00 57.50 53.33 1kff n TRP 79 Cb 0.53 -2.20 -0.16 0.00 -2.42 0.00 0.00 31.31 27.06 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 1.04 0.04 0.00 -0.99 2.20 -1.26 -1.28 119.74 119.49 1kff s LYS 80 Ca 0.65 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1kff s LYS 80 Cb 0.20 -0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 1kff s LYS 80 CO -0.07 -0.12 0.00 0.27 -0.36 0.00 0.00 175.35 175.07 1kff n ASN 81 N 3.91 0.94 -0.04 1.43 0.23 -0.88 -4.77 115.26 116.06 1kff n ASN 81 Ca -0.24 -0.21 0.14 0.00 -0.53 0.00 0.00 54.58 53.75 1kff n ASN 81 Cb 0.52 0.00 0.64 0.00 -2.08 0.00 0.00 39.78 38.87 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 -0.43 0.22 -0.00 0.53 3.02 -1.26 -3.73 115.26 113.61 1kff n ASN 82 Ca 0.00 -0.21 0.06 0.00 -0.03 0.00 0.00 54.58 54.40 1kff n ASN 82 Cb 0.00 -0.20 -0.09 0.00 -0.61 0.00 0.00 39.78 38.88 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 -1.21 0.00 -3.78 3.10 4.01 -1.26 -5.07 117.16 112.95 1kff n TYR 83 Ca 0.13 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.83 1kff n TYR 83 Cb 0.28 -0.23 -0.01 0.00 -0.31 0.00 0.00 39.34 39.07 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 -2.71 1.29 -0.17 -0.72 1.70 -1.24 -5.13 118.95 111.96 1kff s ARG 84 Ca -0.03 -0.73 -0.05 0.00 -0.47 0.00 0.00 55.73 54.45 1kff s ARG 84 Cb 0.08 0.43 0.08 0.00 -0.57 0.00 0.00 34.95 34.97 1kff s ARG 84 CO 0.49 -0.59 0.29 1.21 -1.08 0.00 0.00 175.30 175.62 1kff s ASN 85 N -2.99 0.44 0.00 -2.89 3.84 -1.26 -2.08 114.94 110.00 1kff s ASN 85 Ca 0.13 0.45 0.22 0.00 0.21 0.00 0.00 52.86 53.87 1kff s ASN 85 Cb -0.02 0.79 0.55 0.00 -0.55 0.00 0.00 41.25 42.02 1kff s ASN 85 CO 0.03 -0.26 1.46 0.00 -2.79 0.00 0.00 177.10 175.54 1kff n ALA 86 N 5.35 2.47 -3.79 1.71 0.00 -0.40 -4.98 120.51 120.87 1kff n ALA 86 Ca -0.06 -0.76 -0.23 0.00 0.00 0.00 0.00 53.44 52.39 1kff n ALA 86 Cb 0.50 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.99 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 0.97 -1.82 -3.80 0.00 8.25 -1.26 -4.84 115.22 112.72 1kff n HIS 87 Ca 0.18 0.81 -0.09 0.00 -0.26 0.00 0.00 57.72 58.36 1kff n HIS 87 Cb 0.49 -4.17 -0.03 0.00 1.12 0.00 0.00 29.99 27.40 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 -4.37 -0.26 -0.01 0.41 1.04 -1.26 -1.34 113.70 107.91 1kff s SER 88 Ca 0.00 -0.56 -0.09 0.00 0.48 0.00 0.00 55.95 55.78 1kff s SER 88 Cb -0.00 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1kff s SER 88 CO 0.84 -1.17 0.18 0.00 0.98 0.00 0.00 173.24 174.07 1kff s ALA 89 N -3.90 -0.45 0.04 5.32 0.00 -0.54 -0.94 121.76 121.29 1kff s ALA 89 Ca 0.11 0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.19 1kff s ALA 89 Cb -0.03 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1kff s ALA 89 CO 0.02 -0.21 -0.24 0.99 0.00 0.00 0.00 175.76 176.32 1kff s THR 90 N -1.25 2.36 -0.04 0.00 2.01 0.80 -0.88 115.64 118.64 1kff s THR 90 Ca -0.13 -1.33 0.03 0.00 0.31 0.00 0.00 61.69 60.57 1kff s THR 90 Cb -0.07 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1kff s THR 90 CO 0.02 0.35 -0.14 0.42 -0.69 0.00 0.00 174.62 174.58 1kff s THR 91 N -0.85 1.24 -0.14 -0.82 -4.23 -0.21 -0.85 115.64 109.77 1kff s THR 91 Ca 0.13 -0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 60.03 1kff s THR 91 Cb -0.10 -1.08 -0.02 0.00 1.34 0.00 0.00 72.50 72.64 1kff s THR 91 CO 0.03 0.37 -0.09 0.26 -0.54 0.00 0.00 174.62 174.65 1kff s TRP 92 N 0.20 2.91 -0.08 3.99 0.51 -0.41 -0.99 118.94 125.06 1kff s TRP 92 Ca -0.06 -0.51 0.04 0.00 -2.12 0.00 0.00 56.10 53.44 1kff s TRP 92 Cb -0.12 -1.90 0.00 0.00 -0.81 0.00 0.00 33.47 30.64 1kff s TRP 92 CO 0.02 -0.15 -0.20 0.45 -0.51 0.00 0.00 176.95 176.56 1kff s SER 93 N 0.40 2.65 0.00 2.95 0.15 0.33 -1.69 113.70 118.49 1kff s SER 93 Ca -0.07 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1kff s SER 93 Cb -0.15 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 1kff s SER 93 CO 0.04 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1kff n GLY 94 N 3.55 1.65 2.94 9.45 0.00 -0.68 -1.18 105.19 120.93 1kff n GLY 94 Ca -0.20 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 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 0.39 0.18 0.18 1.61 -2.07 -0.59 -1.19 119.66 118.17 1kff s GLN 95 Ca 0.00 -0.30 -0.10 0.00 -1.82 0.00 0.00 55.36 53.13 1kff s GLN 95 Cb 0.00 0.07 -0.07 0.00 -1.09 0.00 0.00 33.01 31.92 1kff s GLN 95 CO 0.00 -0.03 0.51 -0.47 -1.32 0.00 0.00 175.29 173.98 1kff s TYR 96 N -0.76 3.49 -0.07 9.60 5.04 -0.17 -1.88 117.35 132.59 1kff s TYR 96 Ca -0.08 0.87 -0.01 0.00 -2.44 0.00 0.00 57.07 55.41 1kff s TYR 96 Cb -0.05 -2.25 0.03 0.00 0.35 0.00 0.00 41.96 40.04 1kff s TYR 96 CO -0.00 0.35 -0.01 0.08 -1.34 0.00 0.00 175.55 174.63 1kff s VAL 97 N -1.67 0.44 0.00 3.14 1.01 0.42 -1.79 120.40 121.95 1kff s VAL 97 Ca 0.43 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1kff s VAL 97 Cb -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1kff s VAL 97 CO 0.21 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1kff n GLY 98 N 5.05 -0.33 0.00 4.51 0.00 -1.26 -1.53 105.19 111.64 1kff n GLY 98 Ca -0.09 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 5.00 -1.37 0.22 -0.02 0.00 -1.26 -4.35 105.19 103.42 1kff n GLY 99 Ca 0.00 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 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 0.50 -1.55 4.61 0.00 -2.06 -3.00 119.26 117.76 1kff h ALA 100 Ca 0.00 -0.31 -0.77 0.00 0.00 0.00 0.00 54.91 53.83 1kff h ALA 100 Cb 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 17.79 17.36 1kff h ALA 100 CO 0.00 0.37 0.67 0.39 0.00 0.00 0.00 179.25 180.69 1kff n GLU 101 N -4.37 4.86 -1.76 0.00 -0.58 -1.26 -5.05 120.64 112.48 1kff n GLU 101 Ca -0.02 -4.69 -0.39 0.00 -0.42 0.00 0.00 57.16 51.64 1kff n GLU 101 Cb 0.36 -2.43 0.03 0.00 -0.57 0.00 0.00 31.44 28.82 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 -3.91 3.12 0.00 0.62 0.00 -1.14 -4.94 121.76 115.51 1kff s ALA 102 Ca 0.39 1.46 -0.08 0.00 0.00 0.00 0.00 51.96 53.73 1kff s ALA 102 Cb 0.18 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1kff s ALA 102 CO -0.09 -1.29 0.15 -0.98 0.00 0.00 0.00 175.76 173.55 1kff s ARG 103 N -2.60 0.51 -0.28 0.00 1.70 -0.58 -4.19 118.95 113.52 1kff s ARG 103 Ca 0.64 -0.40 -0.02 0.00 -0.47 0.00 0.00 55.73 55.48 1kff s ARG 103 Cb -0.44 0.21 0.04 0.00 -0.57 0.00 0.00 34.95 34.20 1kff s ARG 103 CO 0.55 -0.12 -0.02 0.42 -1.08 0.00 0.00 175.30 175.04 1kff s ILE 104 N -1.45 3.00 -0.21 4.99 1.01 -0.52 -0.43 121.20 127.58 1kff s ILE 104 Ca -0.14 -1.20 -0.12 0.00 0.00 0.00 0.00 60.65 59.18 1kff s ILE 104 Cb -0.07 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1kff s ILE 104 CO 0.02 0.03 0.24 0.20 0.00 0.00 0.00 174.94 175.42 1kff s ASN 105 N 1.30 6.26 0.08 3.58 0.01 -0.79 -1.08 114.94 124.29 1kff s ASN 105 Ca -0.03 0.29 0.02 0.00 -0.71 0.00 0.00 52.86 52.43 1kff s ASN 105 Cb -0.18 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 1kff s ASN 105 CO -0.02 0.05 -0.06 0.42 -1.51 0.00 0.00 177.10 175.97 1kff s THR 106 N 0.94 0.60 0.18 1.60 -4.23 -0.71 -1.55 115.64 112.47 1kff s THR 106 Ca 0.12 -1.73 0.09 0.00 -1.18 0.00 0.00 61.69 58.99 1kff s THR 106 Cb -0.13 -1.42 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 1kff s THR 106 CO 0.04 -0.78 -0.08 -1.10 -0.54 0.00 0.00 174.62 172.16 1kff s GLN 107 N -3.33 2.11 0.07 3.99 -0.21 -0.33 -2.30 119.66 119.66 1kff s GLN 107 Ca 0.06 -1.24 0.01 0.00 0.02 0.00 0.00 55.36 54.21 1kff s GLN 107 Cb 0.02 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.80 1kff s GLN 107 CO -0.04 0.44 -0.05 1.67 -2.12 0.00 0.00 175.29 175.18 1kff s TRP 108 N -1.70 0.71 -0.01 0.91 1.48 -0.15 -0.52 118.94 119.66 1kff s TRP 108 Ca 0.25 -0.91 0.05 0.00 -1.06 0.00 0.00 56.10 54.44 1kff s TRP 108 Cb -0.09 -0.45 -0.01 0.00 -1.16 0.00 0.00 33.47 31.76 1kff s TRP 108 CO 0.16 -0.22 -0.17 -0.51 -4.06 0.00 0.00 176.95 172.14 1kff s LEU 109 N -2.79 2.04 -0.26 -4.66 1.43 -0.17 -1.85 118.68 112.43 1kff s LEU 109 Ca 0.07 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1kff s LEU 109 Cb 0.04 -0.89 0.07 0.00 0.03 0.00 0.00 46.19 45.45 1kff s LEU 109 CO -0.06 0.21 0.01 -0.22 0.23 0.00 0.00 176.35 176.51 1kff s LEU 110 N -0.45 2.55 -0.15 1.79 0.20 -0.44 -1.05 118.68 121.13 1kff s LEU 110 Ca 0.07 -1.34 -0.06 0.00 0.69 0.00 0.00 54.13 53.49 1kff s LEU 110 Cb -0.07 -1.07 -0.04 0.00 -0.43 0.00 0.00 46.19 44.58 1kff s LEU 110 CO -0.01 -0.30 0.04 -0.89 -0.29 0.00 0.00 176.35 174.90 1kff s THR 111 N 1.46 4.60 0.06 3.68 2.01 -0.06 -1.04 115.64 126.35 1kff s THR 111 Ca 0.00 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1kff s THR 111 Cb -0.18 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1kff s THR 111 CO -0.11 0.51 0.04 -0.44 -0.69 0.00 0.00 174.62 173.93 1kff s SER 112 N -0.01 5.30 -0.01 3.53 0.01 -0.12 -1.47 113.70 120.93 1kff s SER 112 Ca 0.05 -0.04 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 1kff s SER 112 Cb -0.12 -1.38 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 1kff s SER 112 CO 0.01 0.21 1.11 -0.83 0.41 0.00 0.00 173.24 174.15 1kff s GLY 113 N -2.12 2.45 0.28 3.44 0.00 -0.45 -4.83 107.32 106.09 1kff s GLY 113 Ca 0.25 0.63 0.03 0.00 0.00 0.00 0.00 44.72 45.64 1kff s GLY 113 CO 0.18 1.97 0.20 -0.51 0.00 0.00 0.00 173.10 174.94 1kff s THR 114 N 1.52 0.10 0.87 0.90 -4.23 -1.26 -5.02 115.64 108.52 1kff s THR 114 Ca 0.54 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.93 1kff s THR 114 Cb -0.24 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.21 1kff s THR 114 CO 0.25 0.00 1.12 0.42 -0.54 0.00 0.00 174.62 175.87 1kff s THR 115 N -3.71 2.41 0.29 3.99 -4.23 -1.26 -4.87 115.64 108.25 1kff s THR 115 Ca 0.38 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 61.04 1kff s THR 115 Cb 0.05 -2.88 0.29 0.00 1.34 0.00 0.00 72.50 71.29 1kff s THR 115 CO 0.20 -0.17 1.84 -0.33 -0.54 0.00 0.00 174.62 175.61 1kff h GLU 116 N -1.34 0.97 0.00 3.99 5.08 -2.01 -2.36 114.58 118.90 1kff h GLU 116 Ca -0.49 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 57.78 1kff h GLU 116 Cb 1.31 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1kff h GLU 116 CO 0.61 0.64 -0.13 0.00 -1.00 0.00 0.00 179.01 179.13 1kff h ALA 117 N 1.54 1.25 -0.24 3.43 0.00 -2.07 -2.44 119.26 120.74 1kff h ALA 117 Ca 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1kff h ALA 117 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1kff h ALA 117 CO -0.26 0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.24 1kff n ASN 118 N -3.61 2.67 0.29 0.00 3.02 -0.98 -4.64 115.26 112.00 1kff n ASN 118 Ca -0.02 -2.04 0.17 0.00 -0.03 0.00 0.00 54.58 52.66 1kff n ASN 118 Cb 0.26 -0.17 0.83 0.00 -0.61 0.00 0.00 39.78 40.09 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 1.40 1.12 0.00 5.41 0.00 -0.93 -1.45 119.26 124.81 1kff h ALA 119 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1kff h ALA 119 Cb 0.68 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1kff h ALA 119 CO 0.01 0.07 -0.04 0.11 0.00 0.00 0.00 179.25 179.40 1kff h TRP 120 N 0.00 0.00 -0.11 0.00 5.08 -1.82 -2.41 115.95 116.68 1kff h TRP 120 Ca -0.00 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 1kff h TRP 120 Cb 0.32 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.44 1kff h TRP 120 CO 0.00 0.04 -0.39 0.36 -1.28 0.00 0.00 178.44 177.17 1kff n LYS 121 N -3.73 1.69 0.06 0.12 2.85 -0.55 -4.71 118.16 113.89 1kff n LYS 121 Ca -0.03 -3.30 0.12 0.00 -1.05 0.00 0.00 58.31 54.06 1kff n LYS 121 Cb 0.13 -1.69 0.24 0.00 -0.65 0.00 0.00 35.03 33.06 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 -1.12 0.67 -3.82 -5.58 3.41 -0.91 -4.92 113.62 101.36 1kff n SER 122 Ca 0.24 0.18 -0.27 0.00 -0.26 0.00 0.00 58.87 58.76 1kff n SER 122 Cb 0.79 -0.03 -0.17 0.00 -0.26 0.00 0.00 64.21 64.54 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 -3.13 0.77 0.15 6.66 2.01 -1.26 -0.94 115.64 119.89 1kff s THR 123 Ca 0.08 -0.43 -0.09 0.00 0.31 0.00 0.00 61.69 61.56 1kff s THR 123 Cb 0.14 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 71.55 1kff s THR 123 CO 0.69 0.06 0.45 -0.76 -0.69 0.00 0.00 174.62 174.38 1kff s LEU 124 N 1.78 4.28 0.05 4.42 1.43 -0.21 -4.91 118.68 125.52 1kff s LEU 124 Ca 0.01 0.81 0.06 0.00 -1.03 0.00 0.00 54.13 53.99 1kff s LEU 124 Cb -0.15 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 1kff s LEU 124 CO -0.07 0.06 -0.18 0.54 0.23 0.00 0.00 176.35 176.93 1kff s VAL 125 N -1.59 1.43 0.00 -1.59 0.11 -1.26 -1.32 120.40 116.18 1kff s VAL 125 Ca 0.40 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1kff s VAL 125 Cb -0.13 -1.27 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1kff s VAL 125 CO 0.21 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 1kff n GLY 126 N 1.77 2.23 3.02 6.54 0.00 -0.77 -4.99 105.19 112.99 1kff n GLY 126 Ca -0.18 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.71 0.18 -0.04 1.61 -3.43 -1.26 -0.98 115.29 106.65 1kff s HIS 127 Ca 0.00 -0.38 -0.06 0.00 -0.80 0.00 0.00 55.06 53.82 1kff s HIS 127 Cb 0.00 -0.14 0.01 0.00 -1.43 0.00 0.00 32.58 31.02 1kff s HIS 127 CO 0.00 -0.21 0.15 -0.51 -2.00 0.00 0.00 174.74 172.17 1kff s ASP 128 N -1.37 -0.12 -0.06 7.38 1.01 -0.97 -4.96 116.67 117.58 1kff s ASP 128 Ca -0.15 0.19 0.06 0.00 0.71 0.00 0.00 52.55 53.36 1kff s ASP 128 Cb -0.09 0.29 -0.01 0.00 1.01 0.00 0.00 42.92 44.13 1kff s ASP 128 CO -0.00 -0.13 -0.24 -0.89 0.21 0.00 0.00 175.17 174.12 1kff s THR 129 N -0.25 2.00 -0.10 -1.27 2.01 -1.26 -1.74 115.64 115.02 1kff s THR 129 Ca -0.03 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1kff s THR 129 Cb -0.03 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 1kff s THR 129 CO 0.00 0.55 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.02 1kff s PHE 130 N -0.09 2.83 0.29 4.92 0.40 -0.24 -4.07 117.98 122.02 1kff s PHE 130 Ca -0.05 -0.38 0.06 0.00 -0.60 0.00 0.00 56.93 55.96 1kff s PHE 130 Cb -0.14 -1.79 -0.06 0.00 0.51 0.00 0.00 43.02 41.54 1kff s PHE 130 CO 0.04 -0.01 -0.03 0.95 0.70 0.00 0.00 175.22 176.87 1kff s THR 131 N -0.08 1.51 -0.84 0.64 -4.23 -0.22 -1.44 115.64 110.98 1kff s THR 131 Ca -0.01 -2.09 0.26 0.00 -1.18 0.00 0.00 61.69 58.67 1kff s THR 131 Cb -0.14 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.30 1kff s THR 131 CO 0.03 -0.25 1.53 0.29 -0.54 0.00 0.00 174.62 175.69 1kff n LYS 132 N -0.59 0.14 -4.61 3.99 5.02 -1.26 -0.79 118.16 120.06 1kff n LYS 132 Ca -0.05 0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 1kff n LYS 132 Cb 0.64 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 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 -3.07 3.51 -2.00 -0.18 -7.23 -1.26 -4.87 120.40 105.30 1kff s VAL 133 Ca 0.10 -0.69 0.10 0.00 -1.81 0.00 0.00 61.98 59.69 1kff s VAL 133 Cb 0.16 -2.47 0.29 0.00 0.56 0.00 0.00 36.38 34.92 1kff s VAL 133 CO 0.66 0.50 1.06 1.17 -0.31 0.00 0.00 175.10 178.17