#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 -2.20 -0.61 2.04 -1.97 -3.44 117.51 112.63 1kff h ILE 17 Ca 0.00 -1.71 -0.60 0.00 1.00 0.00 0.00 64.86 63.55 1kff h ILE 17 Cb 0.00 1.64 0.06 0.00 -0.74 0.00 0.00 36.82 37.78 1kff h ILE 17 CO 0.00 0.55 0.70 0.41 0.00 0.00 0.00 178.15 179.81 1kff n THR 18 N -4.00 0.11 -0.47 -0.27 -1.04 -1.26 -4.81 114.28 102.55 1kff n THR 18 Ca -0.03 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1kff n THR 18 Cb 0.59 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 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 3.09 0.24 3.19 3.41 0.00 -0.45 -5.00 105.19 109.65 1kff n GLY 19 Ca 0.17 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.73 2.32 0.16 2.61 2.01 -1.26 -1.44 115.64 116.31 1kff s THR 20 Ca 0.00 -0.87 0.09 0.00 0.31 0.00 0.00 61.69 61.22 1kff s THR 20 Cb 0.00 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1kff s THR 20 CO 0.00 0.53 -0.19 0.26 -0.69 0.00 0.00 174.62 174.52 1kff s TRP 21 N 1.04 1.87 -0.01 4.92 0.52 -0.00 -4.55 118.94 122.72 1kff s TRP 21 Ca -0.01 -0.45 0.03 0.00 0.02 0.00 0.00 56.10 55.69 1kff s TRP 21 Cb -0.14 -0.94 -0.01 0.00 -1.15 0.00 0.00 33.47 31.23 1kff s TRP 21 CO -0.05 0.33 -0.10 0.71 0.02 0.00 0.00 176.95 177.86 1kff s TYR 22 N -1.88 0.90 0.55 -1.98 2.02 0.30 -0.85 117.35 116.42 1kff s TYR 22 Ca 0.15 -0.18 0.06 0.00 -0.37 0.00 0.00 57.07 56.72 1kff s TYR 22 Cb -0.07 -0.59 0.06 0.00 -0.40 0.00 0.00 41.96 40.96 1kff s TYR 22 CO 0.07 -0.03 0.76 0.54 -1.57 0.00 0.00 175.55 175.31 1kff s ASN 23 N -0.14 5.17 0.61 2.29 4.22 -0.53 -1.15 114.94 125.41 1kff s ASN 23 Ca 0.02 -0.47 0.31 0.00 -2.14 0.00 0.00 52.86 50.58 1kff s ASN 23 Cb -0.05 -0.27 1.71 0.00 1.28 0.00 0.00 41.25 43.92 1kff s ASN 23 CO -0.00 -1.22 2.07 0.06 -2.04 0.00 0.00 177.10 175.96 1kff h GLN 24 N 0.17 0.00 -0.45 3.55 -0.00 -1.90 -3.13 115.11 113.34 1kff h GLN 24 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 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 0.44 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.55 1kff n LEU 25 N -3.55 3.76 0.00 0.06 4.77 -1.26 -4.96 117.00 115.82 1kff n LEU 25 Ca 0.01 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 1kff n LEU 25 Cb 0.36 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1kff n LEU 25 CO 0.24 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1kff n GLY 26 N 0.59 1.27 3.91 -0.72 0.00 -1.18 -4.73 105.19 104.32 1kff n GLY 26 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.82 5.49 -0.04 1.61 0.01 -1.26 -4.27 113.70 113.43 1kff s SER 27 Ca 0.00 0.74 0.03 0.00 1.31 0.00 0.00 55.95 58.02 1kff s SER 27 Cb 0.00 -1.67 0.01 0.00 0.21 0.00 0.00 66.02 64.57 1kff s SER 27 CO 0.00 -1.15 -0.11 -0.89 0.41 0.00 0.00 173.24 171.50 1kff s THR 28 N -3.06 0.95 -0.27 1.44 2.01 -0.72 -1.45 115.64 114.53 1kff s THR 28 Ca 0.55 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 1kff s THR 28 Cb -0.11 -0.85 0.04 0.00 0.01 0.00 0.00 72.50 71.59 1kff s THR 28 CO 0.46 0.30 -0.03 0.12 -0.69 0.00 0.00 174.62 174.77 1kff s PHE 29 N 0.33 3.16 -0.43 4.92 5.36 -0.03 -0.71 117.98 130.58 1kff s PHE 29 Ca -0.06 -1.68 -0.13 0.00 -0.96 0.00 0.00 56.93 54.09 1kff s PHE 29 Cb -0.11 -2.08 0.05 0.00 -0.34 0.00 0.00 43.02 40.54 1kff s PHE 29 CO 0.01 -0.76 0.31 0.42 -1.46 0.00 0.00 175.22 173.74 1kff s ILE 30 N 1.30 4.90 0.04 3.12 1.01 0.89 -0.82 121.20 131.64 1kff s ILE 30 Ca -0.02 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.71 1kff s ILE 30 Cb -0.18 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1kff s ILE 30 CO -0.03 -0.43 -0.21 0.54 0.00 0.00 0.00 174.94 174.82 1kff s VAL 31 N 1.59 1.67 -0.14 2.92 0.11 -0.52 -0.37 120.40 125.66 1kff s VAL 31 Ca 0.04 -1.20 0.02 0.00 -2.93 0.00 0.00 61.98 57.91 1kff s VAL 31 Cb -0.22 -1.45 0.01 0.00 -1.53 0.00 0.00 36.38 33.19 1kff s VAL 31 CO 0.07 0.21 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.94 1kff s THR 32 N -0.80 2.16 -0.44 5.04 2.01 0.09 -1.35 115.64 122.36 1kff s THR 32 Ca 0.07 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 1kff s THR 32 Cb -0.09 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.58 1kff s THR 32 CO 0.02 0.55 0.62 0.00 -0.69 0.00 0.00 174.62 175.12 1kff s ALA 33 N 0.74 3.35 0.66 7.40 0.00 -1.26 -1.89 121.76 130.76 1kff s ALA 33 Ca -0.09 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 1kff s ALA 33 Cb -0.16 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1kff s ALA 33 CO 0.00 -1.80 1.03 0.20 0.00 0.00 0.00 175.76 175.20 1kff s GLY 34 N 2.06 1.62 0.35 0.00 0.00 0.15 -4.89 107.32 106.61 1kff s GLY 34 Ca 0.21 -0.40 0.16 0.00 0.00 0.00 0.00 44.72 44.69 1kff s GLY 34 CO 0.18 -0.07 1.73 0.00 0.00 0.00 0.00 173.10 174.94 1kff h ALA 35 N -0.48 1.07 -0.17 3.20 0.00 -1.98 -2.61 119.26 118.29 1kff h ALA 35 Ca -0.45 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1kff h ALA 35 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1kff h ALA 35 CO 0.63 0.54 0.00 -0.40 0.00 0.00 0.00 179.25 180.02 1kff n ASP 36 N -3.71 1.12 0.00 0.00 5.75 -1.26 -4.83 116.55 113.61 1kff n ASP 36 Ca -0.01 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1kff n ASP 36 Cb 0.51 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.69 0.75 3.75 6.12 0.00 -0.98 -4.98 105.19 110.53 1kff n GLY 37 Ca 0.06 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 -2.44 3.37 -0.15 4.61 0.00 -1.26 -1.35 121.76 124.55 1kff s ALA 38 Ca 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 1kff s ALA 38 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1kff s ALA 38 CO 0.00 0.04 -0.07 -0.51 0.00 0.00 0.00 175.76 175.22 1kff s LEU 39 N -1.30 3.04 0.09 0.00 1.43 -0.31 0.35 118.68 121.99 1kff s LEU 39 Ca 0.43 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1kff s LEU 39 Cb -0.29 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1kff s LEU 39 CO 0.36 0.17 -0.09 0.42 0.23 0.00 0.00 176.35 177.43 1kff s THR 40 N 0.36 0.87 -5.00 5.49 -4.23 -0.79 -1.39 115.64 110.95 1kff s THR 40 Ca -0.07 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1kff s THR 40 Cb -0.15 -1.32 0.00 0.00 1.34 0.00 0.00 72.50 72.37 1kff s THR 40 CO 0.04 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 1kff n GLY 41 N 0.58 -0.40 2.88 3.99 0.00 -1.07 -0.73 105.19 110.45 1kff n GLY 41 Ca -0.16 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.28 0.17 -0.11 2.61 2.01 0.50 -1.74 115.64 115.80 1kff s THR 42 Ca 0.00 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.00 1kff s THR 42 Cb 0.00 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.32 1kff s THR 42 CO 0.00 0.08 -0.23 -0.47 -0.69 0.00 0.00 174.62 173.31 1kff s TYR 43 N 0.29 2.57 -0.21 4.92 6.14 0.45 -0.08 117.35 131.43 1kff s TYR 43 Ca -0.03 -1.11 0.00 0.00 0.64 0.00 0.00 57.07 56.58 1kff s TYR 43 Cb -0.05 -1.73 0.02 0.00 0.42 0.00 0.00 41.96 40.63 1kff s TYR 43 CO -0.01 -0.46 -0.15 0.08 0.64 0.00 0.00 175.55 175.66 1kff s VAL 44 N 0.44 2.38 0.99 3.14 1.01 0.11 -0.03 120.40 128.45 1kff s VAL 44 Ca -0.16 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.69 1kff s VAL 44 Cb -0.17 -2.10 0.20 0.00 0.00 0.00 0.00 36.38 34.31 1kff s VAL 44 CO 0.07 0.41 1.24 0.42 0.00 0.00 0.00 175.10 177.24 1kff s THR 45 N 1.30 1.92 0.28 3.92 -4.23 -0.45 -1.75 115.64 116.62 1kff s THR 45 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1kff s THR 45 Cb -0.15 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.11 1kff s THR 45 CO -0.09 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 175.84 1kff h ALA 46 N -1.76 1.49 -0.92 3.99 0.00 -1.85 -1.11 119.26 119.10 1kff h ALA 46 Ca -0.45 0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.64 1kff h ALA 46 Cb 1.27 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1kff h ALA 46 CO 0.43 0.29 0.51 -0.09 0.00 0.00 0.00 179.25 180.39 1kff h ARG 47 N 1.05 0.65 0.00 0.00 2.43 -1.91 -3.46 114.38 113.14 1kff h ARG 47 Ca 0.48 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1kff h ARG 47 Cb 0.40 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1kff h ARG 47 CO -0.24 0.43 0.00 0.41 -1.51 0.00 0.00 179.97 179.06 1kff n GLY 48 N -1.33 1.39 3.97 2.80 0.00 -0.42 -5.05 105.19 106.54 1kff n GLY 48 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1kff n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kff s ASN 49 N -3.20 3.87 0.62 1.61 6.03 -1.26 -4.91 114.94 117.70 1kff s ASN 49 Ca 0.00 -0.12 0.37 0.00 -1.03 0.00 0.00 52.86 52.08 1kff s ASN 49 Cb 0.00 -0.12 2.07 0.00 -3.03 0.00 0.00 41.25 40.16 1kff s ASN 49 CO 0.00 -2.20 2.28 0.00 -2.03 0.00 0.00 177.10 175.15 1kff h ALA 50 N -0.96 1.20 0.00 3.54 0.00 -1.98 0.31 119.26 121.37 1kff h ALA 50 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1kff h ALA 50 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1kff h ALA 50 CO 0.39 0.02 0.00 0.39 0.00 0.00 0.00 179.25 180.05 1kff n GLU 51 N -3.39 0.64 -0.54 0.00 4.71 -1.26 -3.17 120.64 117.64 1kff n GLU 51 Ca -0.03 0.02 0.04 0.00 -0.01 0.00 0.00 57.16 57.18 1kff n GLU 51 Cb 0.11 -1.50 0.22 0.00 -1.01 0.00 0.00 31.44 29.26 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 -1.08 3.15 -4.47 1.62 3.41 0.11 -4.84 113.62 111.53 1kff n SER 52 Ca 0.16 -3.32 -0.34 0.00 -0.26 0.00 0.00 58.87 55.12 1kff n SER 52 Cb 0.11 -0.57 -0.12 0.00 -0.26 0.00 0.00 64.21 63.37 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 -3.00 3.62 0.06 4.33 0.52 -1.19 -1.34 118.95 121.95 1kff s ARG 53 Ca 0.42 -0.55 0.06 0.00 -0.52 0.00 0.00 55.73 55.15 1kff s ARG 53 Cb 0.36 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.92 1kff s ARG 53 CO 0.05 0.21 -0.17 0.71 0.02 0.00 0.00 175.30 176.12 1kff s TYR 54 N 0.42 1.48 0.23 -0.53 1.51 0.96 -4.82 117.35 116.60 1kff s TYR 54 Ca -0.05 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 1kff s TYR 54 Cb -0.14 -0.84 -0.09 0.00 -0.11 0.00 0.00 41.96 40.77 1kff s TYR 54 CO 0.03 0.10 1.24 0.08 -1.11 0.00 0.00 175.55 175.89 1kff s VAL 55 N -1.03 3.29 0.03 0.71 1.01 -1.26 -0.42 120.40 122.72 1kff s VAL 55 Ca 0.03 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.21 1kff s VAL 55 Cb -0.09 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1kff s VAL 55 CO 0.02 0.21 -0.18 -1.48 0.00 0.00 0.00 175.10 173.67 1kff s LEU 56 N -0.64 2.13 0.06 3.92 0.05 -0.71 -4.43 118.68 119.06 1kff s LEU 56 Ca 0.52 -0.45 0.03 0.00 0.05 0.00 0.00 54.13 54.28 1kff s LEU 56 Cb -0.35 -0.86 -0.03 0.00 -2.05 0.00 0.00 46.19 42.90 1kff s LEU 56 CO 0.41 0.14 -0.10 0.28 -0.55 0.00 0.00 176.35 176.53 1kff s THR 57 N -0.71 0.74 0.03 5.48 -1.32 -0.90 -2.59 115.64 116.37 1kff s THR 57 Ca 0.06 -1.20 -0.04 0.00 -1.21 0.00 0.00 61.69 59.30 1kff s THR 57 Cb -0.08 -0.82 0.01 0.00 -1.51 0.00 0.00 72.50 70.11 1kff s THR 57 CO 0.01 -0.36 0.18 0.61 -2.21 0.00 0.00 174.62 172.85 1kff n GLY 58 N 1.32 1.13 3.08 6.08 0.00 -0.49 -1.29 105.19 115.02 1kff n GLY 58 Ca -0.22 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.01 0.59 0.12 1.61 1.81 -0.35 -1.16 118.95 119.57 1kff s ARG 59 Ca 0.04 -0.96 -0.08 0.00 -1.72 0.00 0.00 55.73 53.02 1kff s ARG 59 Cb -0.00 -0.14 -0.01 0.00 -0.45 0.00 0.00 34.95 34.35 1kff s ARG 59 CO 0.01 -0.01 0.21 1.52 -0.68 0.00 0.00 175.30 176.35 1kff s TYR 60 N -2.35 0.33 -0.56 -0.53 1.13 -0.45 -1.62 117.35 113.29 1kff s TYR 60 Ca -0.03 -0.73 -0.28 0.00 -1.41 0.00 0.00 57.07 54.63 1kff s TYR 60 Cb -0.03 -0.11 0.03 0.00 -1.10 0.00 0.00 41.96 40.75 1kff s TYR 60 CO -0.03 -0.61 1.14 0.34 -2.51 0.00 0.00 175.55 173.88 1kff s ASP 61 N -2.92 6.46 0.00 -0.18 -1.08 -0.81 -4.62 116.67 113.51 1kff s ASP 61 Ca 0.12 0.08 0.31 0.00 -0.52 0.00 0.00 52.55 52.54 1kff s ASP 61 Cb 0.05 -2.53 1.64 0.00 -1.46 0.00 0.00 42.92 40.62 1kff s ASP 61 CO -0.05 -1.40 2.10 -1.54 0.52 0.00 0.00 175.17 174.80 1kff n SER 62 N 8.17 0.10 -3.18 -0.34 3.41 -1.26 -4.11 113.62 116.42 1kff n SER 62 Ca 0.08 -0.61 -0.22 0.00 -0.26 0.00 0.00 58.87 57.86 1kff n SER 62 Cb 0.49 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.08 1.95 -1.30 7.33 0.00 -1.26 -5.05 120.51 121.11 1kff n ALA 63 Ca 0.19 -3.02 -0.29 0.00 0.00 0.00 0.00 53.44 50.32 1kff n ALA 63 Cb 0.19 -0.88 0.15 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.59 0.96 0.58 0.00 0.04 -1.26 -5.03 135.00 129.70 1kff s PRO 64 Ca 0.34 0.55 -0.17 0.00 0.04 0.00 0.00 61.00 61.76 1kff s PRO 64 Cb 0.14 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 1kff s PRO 64 CO -0.14 -2.38 1.07 0.00 0.04 0.00 0.00 177.00 175.58 1kff s ALA 65 N -3.05 2.73 -0.28 8.56 0.00 -1.26 -4.98 121.76 123.49 1kff s ALA 65 Ca 0.64 0.48 0.12 0.00 0.00 0.00 0.00 51.96 53.20 1kff s ALA 65 Cb -0.17 -3.25 0.65 0.00 0.00 0.00 0.00 23.12 20.35 1kff s ALA 65 CO 0.56 -0.76 1.65 0.25 0.00 0.00 0.00 175.76 177.46 1kff n THR 66 N -1.81 2.70 -0.86 0.00 -2.24 -1.26 -4.44 114.28 106.37 1kff n THR 66 Ca 0.09 -1.89 0.08 0.00 -2.27 0.00 0.00 64.05 60.06 1kff n THR 66 Cb 0.53 -0.32 0.40 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.40 5.57 -1.09 3.42 5.68 -1.26 -4.90 116.55 123.57 1kff n ASP 67 Ca 0.34 -2.85 -0.08 0.00 -0.50 0.00 0.00 54.79 51.71 1kff n ASP 67 Cb 1.19 -0.67 0.01 0.00 -1.14 0.00 0.00 41.12 40.51 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 0.71 0.19 3.93 6.12 0.00 -1.26 -5.06 105.19 109.83 1kff n GLY 68 Ca 0.28 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.82 6.37 1.19 1.61 0.01 -1.26 -5.12 113.70 113.67 1kff s SER 69 Ca 0.07 0.31 -0.14 0.00 1.31 0.00 0.00 55.95 57.50 1kff s SER 69 Cb -0.03 -1.97 0.29 0.00 0.21 0.00 0.00 66.02 64.52 1kff s SER 69 CO 0.09 -0.00 1.02 -0.83 0.41 0.00 0.00 173.24 173.93 1kff s GLY 70 N -3.17 1.53 -0.46 3.44 0.00 -1.26 -4.84 107.32 102.56 1kff s GLY 70 Ca 0.37 -0.27 -0.14 0.00 0.00 0.00 0.00 44.72 44.68 1kff s GLY 70 CO 0.29 0.48 0.36 -1.59 0.00 0.00 0.00 173.10 172.64 1kff s THR 71 N -2.51 4.97 0.39 0.90 2.01 -0.65 -4.81 115.64 115.93 1kff s THR 71 Ca 0.68 -1.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.25 1kff s THR 71 Cb -0.23 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 1kff s THR 71 CO 0.63 -0.57 1.32 0.00 -0.69 0.00 0.00 174.62 175.32 1kff s ALA 72 N 1.58 3.33 0.13 7.40 0.00 -1.26 -0.50 121.76 132.43 1kff s ALA 72 Ca 0.04 1.27 -0.25 0.00 0.00 0.00 0.00 51.96 53.01 1kff s ALA 72 Cb -0.24 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.45 1kff s ALA 72 CO 0.05 -0.82 0.84 -0.48 0.00 0.00 0.00 175.76 175.35 1kff s LEU 73 N -2.29 -0.31 0.22 0.00 0.05 -0.68 -1.92 118.68 113.74 1kff s LEU 73 Ca 0.55 -0.25 -0.20 0.00 0.05 0.00 0.00 54.13 54.28 1kff s LEU 73 Cb -0.39 2.29 0.04 0.00 -2.05 0.00 0.00 46.19 46.08 1kff s LEU 73 CO 0.51 -0.91 0.62 -0.83 -0.55 0.00 0.00 176.35 175.19 1kff s GLY 74 N -2.77 -0.23 0.23 -3.48 0.00 -0.64 -0.89 107.32 99.55 1kff s GLY 74 Ca 0.08 -0.07 -0.19 0.00 0.00 0.00 0.00 44.72 44.54 1kff s GLY 74 CO -0.03 -0.08 0.61 0.66 0.00 0.00 0.00 173.10 174.26 1kff s TRP 75 N -3.86 -0.15 0.02 1.90 -2.14 -0.89 -1.21 118.94 112.62 1kff s TRP 75 Ca 0.08 -0.23 0.05 0.00 2.66 0.00 0.00 56.10 58.65 1kff s TRP 75 Cb -0.03 0.53 -0.02 0.00 -3.10 0.00 0.00 33.47 30.85 1kff s TRP 75 CO -0.02 -1.06 -0.14 0.99 -2.66 0.00 0.00 176.95 174.06 1kff s THR 76 N -3.90 1.12 -0.11 0.66 2.01 -0.41 -0.87 115.64 114.13 1kff s THR 76 Ca 0.11 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1kff s THR 76 Cb -0.03 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.51 1kff s THR 76 CO 0.02 0.11 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.26 1kff s VAL 77 N -0.68 1.20 -0.16 3.82 1.01 -0.61 -2.12 120.40 122.87 1kff s VAL 77 Ca 0.03 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1kff s VAL 77 Cb -0.07 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1kff s VAL 77 CO 0.01 0.39 0.44 0.00 0.00 0.00 0.00 175.10 175.94 1kff s ALA 78 N 1.44 3.52 -0.92 5.51 0.00 -1.26 -0.88 121.76 129.16 1kff s ALA 78 Ca 0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.56 1kff s ALA 78 Cb -0.13 -2.64 -0.15 0.00 0.00 0.00 0.00 23.12 20.19 1kff s ALA 78 CO -0.06 -0.13 3.10 0.91 0.00 0.00 0.00 175.76 179.57 1kff n TRP 79 N 4.03 1.36 -4.09 0.00 7.02 -0.32 -4.78 117.44 120.66 1kff n TRP 79 Ca -0.07 -2.33 -0.21 0.00 -1.02 0.00 0.00 57.50 53.87 1kff n TRP 79 Cb 0.51 -2.04 -0.17 0.00 -2.42 0.00 0.00 31.31 27.19 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 1.84 0.82 0.00 -0.99 2.20 -1.26 -0.96 119.74 121.40 1kff s LYS 80 Ca 0.65 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1kff s LYS 80 Cb 0.22 -0.89 0.00 0.00 -1.51 0.00 0.00 37.83 35.65 1kff s LYS 80 CO -0.03 -0.12 0.00 0.27 -0.36 0.00 0.00 175.35 175.10 1kff n ASN 81 N 4.25 0.54 0.10 1.43 0.23 -0.23 -4.82 115.26 116.75 1kff n ASN 81 Ca -0.22 -0.12 0.13 0.00 -0.53 0.00 0.00 54.58 53.84 1kff n ASN 81 Cb 0.51 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.63 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 -0.30 0.75 -0.08 0.53 5.03 -1.26 -3.65 115.26 116.28 1kff n ASN 82 Ca 0.00 0.58 -0.07 0.00 0.87 0.00 0.00 54.58 55.96 1kff n ASN 82 Cb 0.00 -0.78 -0.16 0.00 -1.02 0.00 0.00 39.78 37.82 1kff n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1kff n TYR 83 N -2.21 0.07 -3.99 3.10 4.01 -1.26 -5.04 117.16 111.84 1kff n TYR 83 Ca 0.05 0.02 -0.10 0.00 -0.16 0.00 0.00 57.90 57.72 1kff n TYR 83 Cb 0.41 -0.94 -0.04 0.00 -0.31 0.00 0.00 39.34 38.46 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 -2.66 1.72 -0.22 -0.72 1.70 -1.24 -5.14 118.95 112.40 1kff s ARG 84 Ca -0.09 -1.36 -0.03 0.00 -0.47 0.00 0.00 55.73 53.77 1kff s ARG 84 Cb 0.07 0.49 0.11 0.00 -0.57 0.00 0.00 34.95 35.06 1kff s ARG 84 CO 0.84 -0.74 0.30 1.21 -1.08 0.00 0.00 175.30 175.84 1kff s ASN 85 N -3.06 0.76 0.00 -2.89 3.84 -1.26 -1.07 114.94 111.25 1kff s ASN 85 Ca 0.23 0.05 0.23 0.00 0.21 0.00 0.00 52.86 53.58 1kff s ASN 85 Cb -0.01 0.76 0.71 0.00 -0.55 0.00 0.00 41.25 42.16 1kff s ASN 85 CO 0.12 -0.31 1.54 0.00 -2.79 0.00 0.00 177.10 175.66 1kff n ALA 86 N 5.34 2.51 -3.90 1.71 0.00 -0.13 -4.97 120.51 121.07 1kff n ALA 86 Ca -0.05 -0.60 -0.30 0.00 0.00 0.00 0.00 53.44 52.49 1kff n ALA 86 Cb 0.50 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.57 -1.67 -3.70 0.00 -0.00 -1.26 -4.86 115.22 104.29 1kff n HIS 87 Ca 0.17 0.56 -0.09 0.00 -0.00 0.00 0.00 57.72 58.35 1kff n HIS 87 Cb 0.40 -3.47 -0.03 0.00 -0.00 0.00 0.00 29.99 26.89 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 -3.98 -0.33 -0.10 0.41 1.04 -1.26 -0.29 113.70 109.19 1kff s SER 88 Ca 0.21 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 56.12 1kff s SER 88 Cb -0.09 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.68 1kff s SER 88 CO 0.90 -1.11 0.31 0.00 0.98 0.00 0.00 173.24 174.32 1kff s ALA 89 N -3.86 -0.77 -0.09 5.32 0.00 0.53 -1.18 121.76 121.71 1kff s ALA 89 Ca 0.08 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.83 1kff s ALA 89 Cb -0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1kff s ALA 89 CO -0.02 -0.17 -0.10 0.99 0.00 0.00 0.00 175.76 176.46 1kff s THR 90 N -0.10 3.44 0.01 0.00 2.01 -0.06 0.41 115.64 121.36 1kff s THR 90 Ca -0.02 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.50 1kff s THR 90 Cb -0.03 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 1kff s THR 90 CO 0.01 0.57 -0.24 0.42 -0.69 0.00 0.00 174.62 174.68 1kff s THR 91 N -0.41 1.95 -0.12 -0.82 -4.23 0.02 -1.57 115.64 110.46 1kff s THR 91 Ca 0.06 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1kff s THR 91 Cb -0.12 -1.65 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 1kff s THR 91 CO 0.02 0.43 -0.12 0.26 -0.54 0.00 0.00 174.62 174.67 1kff s TRP 92 N -0.68 2.81 -0.04 3.99 0.51 -0.05 -1.10 118.94 124.37 1kff s TRP 92 Ca 0.10 -0.54 0.05 0.00 -2.12 0.00 0.00 56.10 53.59 1kff s TRP 92 Cb -0.09 -1.82 -0.00 0.00 -0.81 0.00 0.00 33.47 30.74 1kff s TRP 92 CO 0.00 -0.13 -0.18 0.45 -0.51 0.00 0.00 176.95 176.59 1kff s SER 93 N 0.18 2.18 0.00 2.95 0.15 0.39 -2.10 113.70 117.45 1kff s SER 93 Ca -0.07 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 1kff s SER 93 Cb -0.15 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1kff s SER 93 CO 0.05 0.16 0.04 0.61 1.20 0.00 0.00 173.24 175.30 1kff n GLY 94 N 3.07 0.86 3.00 9.45 0.00 -0.06 -1.23 105.19 120.28 1kff n GLY 94 Ca -0.18 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 0.35 -0.11 1.61 -2.07 -0.30 -1.68 119.66 115.46 1kff s GLN 95 Ca 0.01 -0.66 -0.05 0.00 -1.82 0.00 0.00 55.36 52.84 1kff s GLN 95 Cb -0.00 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 32.01 1kff s GLN 95 CO 0.00 -0.06 0.08 -0.47 -1.32 0.00 0.00 175.29 173.52 1kff s TYR 96 N -1.69 3.39 -0.20 9.60 5.04 0.34 -1.69 117.35 132.13 1kff s TYR 96 Ca -0.14 0.35 0.01 0.00 -2.44 0.00 0.00 57.07 54.86 1kff s TYR 96 Cb -0.08 -1.89 0.03 0.00 0.35 0.00 0.00 41.96 40.37 1kff s TYR 96 CO -0.02 0.58 -0.18 0.08 -1.34 0.00 0.00 175.55 174.67 1kff s VAL 97 N -0.85 2.07 0.14 3.14 1.01 0.11 -1.64 120.40 124.38 1kff s VAL 97 Ca 0.13 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1kff s VAL 97 Cb -0.12 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1kff s VAL 97 CO 0.03 0.40 0.19 0.61 0.00 0.00 0.00 175.10 176.33 1kff n GLY 98 N 4.58 0.11 0.00 4.51 0.00 -1.26 -2.33 105.19 110.80 1kff n GLY 98 Ca -0.19 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 3.63 0.89 0.37 -0.02 0.00 -1.26 -4.77 105.19 104.03 1kff n GLY 99 Ca 0.03 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.20 -2.95 4.61 0.00 -2.06 -3.33 119.26 114.33 1kff h ALA 100 Ca 0.00 -0.19 -0.72 0.00 0.00 0.00 0.00 54.91 54.00 1kff h ALA 100 Cb 0.00 0.42 -0.32 0.00 0.00 0.00 0.00 17.79 17.90 1kff h ALA 100 CO 0.00 -1.15 -0.28 -1.21 0.00 0.00 0.00 179.25 176.60 1kff s GLU 101 N -5.05 2.74 0.32 0.00 0.41 -1.26 -5.05 118.70 110.80 1kff s GLU 101 Ca -0.13 -2.27 -0.29 0.00 -0.41 0.00 0.00 54.97 51.87 1kff s GLU 101 Cb 0.02 -3.93 -0.11 0.00 -1.78 0.00 0.00 34.13 28.33 1kff s GLU 101 CO 0.42 -1.20 1.49 0.00 -0.49 0.00 0.00 175.26 175.47 1kff s ALA 102 N 0.44 3.63 0.17 5.21 0.00 -1.25 -4.96 121.76 124.99 1kff s ALA 102 Ca 0.14 1.48 -0.06 0.00 0.00 0.00 0.00 51.96 53.52 1kff s ALA 102 Cb -0.20 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 1kff s ALA 102 CO -0.04 -0.92 0.23 -0.98 0.00 0.00 0.00 175.76 174.05 1kff s ARG 103 N -1.23 1.14 -0.13 0.00 1.70 -0.98 -4.17 118.95 115.28 1kff s ARG 103 Ca 0.57 -1.30 -0.01 0.00 -0.47 0.00 0.00 55.73 54.52 1kff s ARG 103 Cb -0.45 0.34 0.03 0.00 -0.57 0.00 0.00 34.95 34.30 1kff s ARG 103 CO 0.53 -0.40 -0.05 0.42 -1.08 0.00 0.00 175.30 174.72 1kff s ILE 104 N -4.02 0.95 -0.19 4.99 1.01 -0.82 -0.72 121.20 122.42 1kff s ILE 104 Ca 0.22 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 1kff s ILE 104 Cb 0.04 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1kff s ILE 104 CO 0.03 0.24 0.06 0.20 0.00 0.00 0.00 174.94 175.47 1kff s ASN 105 N 1.72 5.58 0.05 3.58 0.02 -0.68 -1.34 114.94 123.86 1kff s ASN 105 Ca 0.03 0.06 -0.02 0.00 -1.02 0.00 0.00 52.86 51.91 1kff s ASN 105 Cb -0.14 -1.96 -0.03 0.00 0.02 0.00 0.00 41.25 39.14 1kff s ASN 105 CO -0.08 0.16 -0.01 0.42 0.02 0.00 0.00 177.10 177.62 1kff s THR 106 N 0.45 0.19 0.26 1.60 -4.23 -0.40 -1.15 115.64 112.36 1kff s THR 106 Ca 0.03 -1.55 0.12 0.00 -1.18 0.00 0.00 61.69 59.10 1kff s THR 106 Cb -0.13 -1.23 -0.05 0.00 1.34 0.00 0.00 72.50 72.43 1kff s THR 106 CO 0.01 -0.86 -0.18 -1.10 -0.54 0.00 0.00 174.62 171.94 1kff s GLN 107 N -3.37 1.72 0.06 3.99 -1.52 -0.37 -2.10 119.66 118.08 1kff s GLN 107 Ca 0.02 -1.67 -0.05 0.00 -1.95 0.00 0.00 55.36 51.70 1kff s GLN 107 Cb 0.04 -1.84 -0.02 0.00 -0.22 0.00 0.00 33.01 30.98 1kff s GLN 107 CO -0.08 0.35 0.09 1.67 -0.25 0.00 0.00 175.29 177.07 1kff s TRP 108 N -2.31 0.29 -0.06 0.91 1.48 -0.37 -0.46 118.94 118.42 1kff s TRP 108 Ca 0.28 -0.72 0.01 0.00 -1.06 0.00 0.00 56.10 54.62 1kff s TRP 108 Cb -0.06 -0.19 0.02 0.00 -1.16 0.00 0.00 33.47 32.08 1kff s TRP 108 CO 0.15 -0.44 -0.08 -0.51 -4.06 0.00 0.00 176.95 172.01 1kff s LEU 109 N -2.68 1.43 -0.30 -4.66 1.43 -0.26 -1.65 118.68 111.99 1kff s LEU 109 Ca 0.03 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1kff s LEU 109 Cb 0.04 -0.63 0.03 0.00 0.03 0.00 0.00 46.19 45.66 1kff s LEU 109 CO -0.09 -0.03 0.06 -0.22 0.23 0.00 0.00 176.35 176.30 1kff s LEU 110 N 0.88 3.91 -0.11 1.79 0.20 -0.57 -0.80 118.68 123.98 1kff s LEU 110 Ca -0.11 -0.95 -0.02 0.00 0.69 0.00 0.00 54.13 53.74 1kff s LEU 110 Cb -0.15 -1.82 -0.03 0.00 -0.43 0.00 0.00 46.19 43.76 1kff s LEU 110 CO 0.01 -0.24 -0.04 -0.89 -0.29 0.00 0.00 176.35 174.91 1kff s THR 111 N 1.41 3.93 0.04 3.68 2.01 0.17 -1.94 115.64 124.93 1kff s THR 111 Ca -0.00 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1kff s THR 111 Cb -0.18 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1kff s THR 111 CO 0.01 0.55 0.20 -0.44 -0.69 0.00 0.00 174.62 174.25 1kff s SER 112 N -0.25 6.34 0.11 3.53 0.01 -0.55 -0.35 113.70 122.54 1kff s SER 112 Ca 0.04 0.28 -0.31 0.00 1.31 0.00 0.00 55.95 57.27 1kff s SER 112 Cb -0.13 -1.96 -0.08 0.00 0.21 0.00 0.00 66.02 64.06 1kff s SER 112 CO 0.02 0.19 1.49 -0.83 0.41 0.00 0.00 173.24 174.53 1kff s GLY 113 N -2.37 1.76 0.21 3.44 0.00 0.60 -4.84 107.32 106.13 1kff s GLY 113 Ca 0.33 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.23 1kff s GLY 113 CO 0.26 2.54 0.10 -0.51 0.00 0.00 0.00 173.10 175.49 1kff s THR 114 N 1.54 0.27 0.85 0.90 -4.23 -1.26 -5.02 115.64 108.68 1kff s THR 114 Ca 0.68 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 59.08 1kff s THR 114 Cb -0.39 -2.49 0.10 0.00 1.34 0.00 0.00 72.50 71.06 1kff s THR 114 CO 0.30 -0.07 1.09 0.42 -0.54 0.00 0.00 174.62 175.83 1kff s THR 115 N -3.96 2.87 0.16 3.99 -4.23 -1.26 -4.85 115.64 108.37 1kff s THR 115 Ca 0.36 0.28 -0.22 0.00 -1.18 0.00 0.00 61.69 60.93 1kff s THR 115 Cb 0.07 -2.89 0.05 0.00 1.34 0.00 0.00 72.50 71.08 1kff s THR 115 CO 0.11 -0.37 1.61 -0.33 -0.54 0.00 0.00 174.62 175.10 1kff h GLU 116 N -1.32 -0.24 0.00 3.99 5.08 -2.01 -1.44 114.58 118.65 1kff h GLU 116 Ca -0.48 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1kff h GLU 116 Cb 1.27 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1kff h GLU 116 CO 0.56 -0.16 -0.00 0.00 -1.00 0.00 0.00 179.01 178.42 1kff h ALA 117 N 0.80 1.01 -0.16 3.43 0.00 -2.07 -2.18 119.26 120.09 1kff h ALA 117 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1kff h ALA 117 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1kff h ALA 117 CO -0.47 0.00 0.00 0.09 0.00 0.00 0.00 179.25 178.87 1kff n ASN 118 N -3.09 2.42 0.16 0.00 3.02 -0.77 -4.66 115.26 112.34 1kff n ASN 118 Ca -0.03 -1.70 0.12 0.00 -0.03 0.00 0.00 54.58 52.94 1kff n ASN 118 Cb 0.08 -0.10 0.57 0.00 -0.61 0.00 0.00 39.78 39.72 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 2.39 1.00 0.00 5.41 0.00 -0.61 0.43 119.26 127.88 1kff h ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kff h ALA 119 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1kff h ALA 119 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 179.25 179.36 1kff h TRP 120 N 0.00 0.00 -0.48 0.00 5.08 -1.83 -3.12 115.95 115.60 1kff h TRP 120 Ca 0.00 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.63 1kff h TRP 120 Cb 0.22 0.00 -0.25 0.00 -3.00 0.00 0.00 29.16 26.13 1kff h TRP 120 CO 0.00 0.00 -0.56 0.36 -1.28 0.00 0.00 178.44 176.96 1kff n LYS 121 N -2.58 2.74 0.10 0.12 2.85 0.14 -4.70 118.16 116.82 1kff n LYS 121 Ca 0.02 -3.75 0.12 0.00 -1.05 0.00 0.00 58.31 53.64 1kff n LYS 121 Cb 0.26 -2.02 0.08 0.00 -0.65 0.00 0.00 35.03 32.70 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 1.67 0.00 -3.33 -5.58 4.64 -1.63 -3.47 113.55 105.85 1kff h SER 122 Ca 0.25 -0.08 -0.61 0.00 -0.47 0.00 0.00 61.79 60.87 1kff h SER 122 Cb 1.34 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.07 1kff h SER 122 CO 0.52 0.04 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.82 1kff s THR 123 N -3.27 1.63 0.25 2.95 2.01 -1.26 -1.48 115.64 116.46 1kff s THR 123 Ca 0.03 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.04 1kff s THR 123 Cb 0.11 -1.65 -0.07 0.00 0.01 0.00 0.00 72.50 70.90 1kff s THR 123 CO 0.75 0.26 0.56 -0.76 -0.69 0.00 0.00 174.62 174.74 1kff s LEU 124 N 1.42 4.13 0.02 4.42 1.43 -0.82 -4.93 118.68 124.35 1kff s LEU 124 Ca 0.01 0.90 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 1kff s LEU 124 Cb -0.15 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 1kff s LEU 124 CO -0.09 -0.11 -0.16 0.54 0.23 0.00 0.00 176.35 176.76 1kff s VAL 125 N -1.89 1.27 0.13 -1.59 0.11 -1.26 -1.51 120.40 115.65 1kff s VAL 125 Ca 0.47 -0.88 -0.10 0.00 -2.93 0.00 0.00 61.98 58.54 1kff s VAL 125 Cb -0.11 -1.09 0.04 0.00 -1.53 0.00 0.00 36.38 33.68 1kff s VAL 125 CO 0.23 0.20 0.49 0.61 -3.33 0.00 0.00 175.10 173.30 1kff n GLY 126 N 2.26 1.11 3.06 6.54 0.00 -0.66 -4.99 105.19 112.51 1kff n GLY 126 Ca -0.16 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 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 -4.46 0.29 -0.03 1.61 -3.43 -1.26 -1.23 115.29 106.78 1kff s HIS 127 Ca 0.11 -0.64 -0.03 0.00 -0.80 0.00 0.00 55.06 53.70 1kff s HIS 127 Cb -0.02 -0.22 0.01 0.00 -1.43 0.00 0.00 32.58 30.92 1kff s HIS 127 CO 0.04 -0.30 0.08 -0.51 -2.00 0.00 0.00 174.74 172.05 1kff s ASP 128 N -2.05 -0.08 -0.13 7.38 1.01 -0.89 -4.96 116.67 116.94 1kff s ASP 128 Ca -0.06 0.15 0.02 0.00 0.71 0.00 0.00 52.55 53.37 1kff s ASP 128 Cb -0.02 0.17 0.00 0.00 1.01 0.00 0.00 42.92 44.08 1kff s ASP 128 CO -0.04 -0.04 -0.20 -0.89 0.21 0.00 0.00 175.17 174.21 1kff s THR 129 N -0.01 2.31 -0.10 -1.27 2.01 -1.26 -1.27 115.64 116.05 1kff s THR 129 Ca -0.01 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 1kff s THR 129 Cb -0.01 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1kff s THR 129 CO 0.00 0.54 0.01 -0.36 -0.69 0.00 0.00 174.62 174.12 1kff s PHE 130 N 0.65 3.17 0.20 4.92 0.40 -0.45 -3.57 117.98 123.29 1kff s PHE 130 Ca -0.10 0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.41 1kff s PHE 130 Cb -0.16 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.48 1kff s PHE 130 CO 0.02 0.38 -0.06 0.95 0.70 0.00 0.00 175.22 177.22 1kff s THR 131 N -0.61 1.22 -2.19 0.64 -4.23 -0.30 -1.94 115.64 108.23 1kff s THR 131 Ca 0.10 -2.07 0.24 0.00 -1.18 0.00 0.00 61.69 58.78 1kff s THR 131 Cb -0.12 -2.14 0.60 0.00 1.34 0.00 0.00 72.50 72.18 1kff s THR 131 CO 0.02 -0.51 1.79 0.29 -0.54 0.00 0.00 174.62 175.68 1kff n LYS 132 N -0.35 1.35 -4.23 3.99 5.02 -1.26 -0.53 118.16 122.15 1kff n LYS 132 Ca -0.07 -0.51 -0.34 0.00 -2.02 0.00 0.00 58.31 55.36 1kff n LYS 132 Cb 0.62 -1.41 -0.12 0.00 -0.02 0.00 0.00 35.03 34.11 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 -1.94 4.13 -0.05 -0.18 1.01 -1.26 -4.88 120.40 117.23 1kff s VAL 133 Ca 0.36 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 1kff s VAL 133 Cb 0.18 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1kff s VAL 133 CO 0.29 0.47 0.86 -0.75 0.00 0.00 0.00 175.10 175.97 1kff s LYS 134 N 0.51 4.47 0.00 2.72 2.20 -1.26 -4.76 119.74 123.63 1kff s LYS 134 Ca -0.01 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1kff s LYS 134 Cb -0.14 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1kff s LYS 134 CO 0.02 -0.06 0.33 -2.30 -0.36 0.00 0.00 175.35 172.98