#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k70 n SER 2 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.08 113.62 112.30 2k70 n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2k70 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2k70 n SER 2 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2k70 n PHE 3 N -0.21 0.00 0.00 7.33 -1.74 -1.26 -5.03 117.46 116.55 2k70 n PHE 3 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2k70 n PHE 3 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 2k70 n PHE 3 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2k70 n THR 4 N -1.25 0.00 -1.12 1.97 -1.04 -1.26 -5.01 114.28 106.57 2k70 n THR 4 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 2k70 n THR 4 Cb 0.18 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.63 2k70 n THR 4 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2k70 n GLU 5 N 0.00 3.00 -4.05 -2.82 0.00 -1.26 -4.86 120.64 110.65 2k70 n GLU 5 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 57.16 55.29 2k70 n GLU 5 Cb 0.00 -2.54 -0.08 0.00 0.00 0.00 0.00 31.44 28.82 2k70 n GLU 5 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2k70 s GLY 6 N 2.35 0.78 0.23 -1.84 0.00 -1.26 -4.36 107.32 103.23 2k70 s GLY 6 Ca 0.63 -1.17 -0.17 0.00 0.00 0.00 0.00 44.72 44.02 2k70 s GLY 6 CO -0.04 -1.02 0.55 0.66 0.00 0.00 0.00 173.10 173.25 2k70 s TRP 7 N -4.03 0.03 -0.04 1.90 -2.14 -0.88 -3.86 118.94 109.93 2k70 s TRP 7 Ca 0.24 -0.41 0.07 0.00 2.66 0.00 0.00 56.10 58.65 2k70 s TRP 7 Cb 0.04 0.39 -0.02 0.00 -3.10 0.00 0.00 33.47 30.79 2k70 s TRP 7 CO 0.04 -1.02 -0.24 0.08 -2.66 0.00 0.00 176.95 173.15 2k70 s VAL 8 N -3.93 2.15 0.51 -0.66 1.01 0.20 -0.49 120.40 119.19 2k70 s VAL 8 Ca 0.14 -1.05 0.34 0.00 0.00 0.00 0.00 61.98 61.41 2k70 s VAL 8 Cb -0.02 -1.77 0.54 0.00 0.00 0.00 0.00 36.38 35.13 2k70 s VAL 8 CO 0.04 0.58 1.76 -0.09 0.00 0.00 0.00 175.10 177.38 2k70 h ARG 9 N 5.75 0.08 -1.98 2.72 1.12 -1.36 -0.02 114.38 120.69 2k70 h ARG 9 Ca -0.38 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.48 2k70 h ARG 9 Cb 1.15 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.09 2k70 h ARG 9 CO 0.47 0.05 -0.48 0.34 -3.11 0.00 0.00 179.97 177.25 2k70 n PHE 10 N -4.29 -2.34 0.00 2.20 7.35 -1.21 -2.89 117.46 116.28 2k70 n PHE 10 Ca 0.28 1.24 0.00 0.00 -0.76 0.00 0.00 57.45 58.21 2k70 n PHE 10 Cb 1.27 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 38.67 2k70 n PHE 10 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2k70 n SER 11 N -0.59 0.00 0.00 -2.13 2.88 0.27 -4.87 113.62 109.19 2k70 n SER 11 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 2k70 n SER 11 Cb 0.00 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.01 2k70 n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2k70 n PRO 12 N -0.17 0.19 -2.16 -1.46 -0.04 -1.26 -0.72 135.00 129.38 2k70 n PRO 12 Ca 0.00 0.08 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 2k70 n PRO 12 Cb 0.00 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.06 2k70 n PRO 12 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k70 s GLY 13 N -2.76 1.71 0.26 0.55 0.00 -1.26 -4.85 107.32 100.97 2k70 s GLY 13 Ca 0.17 -1.08 0.26 0.00 0.00 0.00 0.00 44.72 44.07 2k70 s GLY 13 CO 0.39 -0.55 1.74 -0.56 0.00 0.00 0.00 173.10 174.12 2k70 h PRO 14 N -0.88 0.00 -6.16 2.90 0.13 -1.97 -3.45 132.00 122.56 2k70 h PRO 14 Ca -0.43 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.14 2k70 h PRO 14 Cb 1.29 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.20 2k70 h PRO 14 CO 0.53 0.00 -0.83 0.54 -0.23 0.00 0.00 178.00 178.01 2k70 s ASN 15 N -4.86 2.53 0.24 1.44 4.22 -1.26 -2.13 114.94 115.12 2k70 s ASN 15 Ca 0.10 -0.67 -0.07 0.00 -2.14 0.00 0.00 52.86 50.08 2k70 s ASN 15 Cb 0.11 -0.15 0.03 0.00 1.28 0.00 0.00 41.25 42.52 2k70 s ASN 15 CO 0.61 0.07 0.44 0.00 -2.04 0.00 0.00 177.10 176.18 2k70 n ALA 16 N 1.16 -0.82 -2.44 3.54 0.00 0.16 -4.95 120.51 117.16 2k70 n ALA 16 Ca -0.19 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.28 2k70 n ALA 16 Cb 0.53 0.71 -0.08 0.00 0.00 0.00 0.00 19.45 20.61 2k70 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k70 s ALA 17 N -1.90 0.15 -0.05 0.00 0.00 -1.26 -0.71 121.76 117.99 2k70 s ALA 17 Ca 0.13 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 2k70 s ALA 17 Cb -0.02 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.71 2k70 s ALA 17 CO 0.09 -0.51 0.14 0.00 0.00 0.00 0.00 175.76 175.48 2k70 s ALA 18 N -3.93 -0.35 -0.48 0.00 0.00 -0.32 -1.52 121.76 115.16 2k70 s ALA 18 Ca 0.11 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.47 2k70 s ALA 18 Cb 0.06 -0.18 0.32 0.00 0.00 0.00 0.00 23.12 23.31 2k70 s ALA 18 CO -0.06 -0.09 0.78 0.66 0.00 0.00 0.00 175.76 177.04 2k70 n TYR 19 N 2.76 1.89 -2.12 0.00 4.01 0.36 -2.01 117.16 122.05 2k70 n TYR 19 Ca -0.14 -3.89 -0.31 0.00 -0.16 0.00 0.00 57.90 53.40 2k70 n TYR 19 Cb 0.58 -0.45 -0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2k70 n TYR 19 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 2k70 s LEU 20 N -2.61 3.39 -0.58 7.72 0.05 -1.26 -2.06 118.68 123.33 2k70 s LEU 20 Ca 0.42 1.37 -0.20 0.00 0.05 0.00 0.00 54.13 55.78 2k70 s LEU 20 Cb 0.27 -4.38 0.08 0.00 -2.05 0.00 0.00 46.19 40.11 2k70 s LEU 20 CO -0.10 -0.75 0.75 0.42 -0.55 0.00 0.00 176.35 176.12 2k70 s THR 21 N -2.97 4.71 -0.37 5.48 -4.23 -1.26 -0.76 115.64 116.24 2k70 s THR 21 Ca 0.55 -0.66 -0.28 0.00 -1.18 0.00 0.00 61.69 60.12 2k70 s THR 21 Cb -0.11 -4.48 0.02 0.00 1.34 0.00 0.00 72.50 69.27 2k70 s THR 21 CO 0.47 -1.11 1.02 -0.22 -0.54 0.00 0.00 174.62 174.24 2k70 s LEU 22 N 3.02 3.91 -0.12 4.79 1.98 -1.16 -4.93 118.68 126.17 2k70 s LEU 22 Ca 0.16 0.74 0.02 0.00 -2.89 0.00 0.00 54.13 52.16 2k70 s LEU 22 Cb -0.21 -3.42 0.01 0.00 0.66 0.00 0.00 46.19 43.24 2k70 s LEU 22 CO 0.09 -0.93 -0.19 -0.70 -1.89 0.00 0.00 176.35 172.74 2k70 s GLU 23 N 3.70 2.61 -0.28 1.98 2.12 -1.26 -0.93 118.70 126.64 2k70 s GLU 23 Ca 0.42 -0.71 -0.19 0.00 0.36 0.00 0.00 54.97 54.86 2k70 s GLU 23 Cb -0.11 -2.14 -0.02 0.00 0.26 0.00 0.00 34.13 32.12 2k70 s GLU 23 CO 0.19 -0.02 0.58 1.21 -0.54 0.00 0.00 175.26 176.68 2k70 s ASN 24 N 0.86 6.48 0.12 -1.70 3.84 -0.08 -4.96 114.94 119.51 2k70 s ASN 24 Ca -0.08 0.51 0.20 0.00 0.21 0.00 0.00 52.86 53.70 2k70 s ASN 24 Cb -0.15 -2.31 0.83 0.00 -0.55 0.00 0.00 41.25 39.07 2k70 s ASN 24 CO -0.01 -0.38 1.62 -0.81 -2.79 0.00 0.00 177.10 174.73 2k70 n PRO 25 N 5.70 0.10 -0.79 0.43 -0.04 -1.26 -1.51 135.00 137.63 2k70 n PRO 25 Ca -0.02 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2k70 n PRO 25 Cb 0.49 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 2k70 n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k70 n GLY 26 N 0.19 -3.45 0.00 0.55 0.00 -1.26 -4.44 105.19 96.79 2k70 n GLY 26 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2k70 n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k70 n ASP 27 N 0.12 0.00 -3.27 1.61 2.03 -1.26 -4.86 116.55 110.92 2k70 n ASP 27 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2k70 n ASP 27 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 2k70 n ASP 27 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2k70 s LEU 28 N 0.00 -0.01 -0.04 -2.67 2.34 -1.26 -5.11 118.68 111.93 2k70 s LEU 28 Ca 0.00 -0.79 -0.30 0.00 0.06 0.00 0.00 54.13 53.10 2k70 s LEU 28 Cb 0.00 2.31 -0.03 0.00 -0.56 0.00 0.00 46.19 47.91 2k70 s LEU 28 CO 0.00 -1.19 1.07 -2.16 -1.06 0.00 0.00 176.35 173.01 2k70 s PRO 29 N -2.30 4.45 0.23 1.48 0.04 -1.26 -3.74 135.00 133.90 2k70 s PRO 29 Ca 0.19 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.57 2k70 s PRO 29 Cb -0.03 -3.49 -0.08 0.00 0.04 0.00 0.00 34.50 30.94 2k70 s PRO 29 CO 0.07 -0.25 0.70 -0.51 0.04 0.00 0.00 177.00 177.04 2k70 s LEU 30 N 1.60 4.29 -0.31 -3.56 1.43 0.05 -4.94 118.68 117.25 2k70 s LEU 30 Ca 0.53 1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 54.96 2k70 s LEU 30 Cb -0.22 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.47 2k70 s LEU 30 CO 0.24 -0.00 0.08 -0.60 0.23 0.00 0.00 176.35 176.30 2k70 s ARG 31 N -2.17 0.86 -0.51 1.70 3.52 -1.26 -0.91 118.95 120.18 2k70 s ARG 31 Ca 0.44 -1.15 -0.29 0.00 -0.13 0.00 0.00 55.73 54.60 2k70 s ARG 31 Cb -0.15 -2.19 0.03 0.00 -1.56 0.00 0.00 34.95 31.07 2k70 s ARG 31 CO 0.20 -0.95 1.21 -1.17 -0.81 0.00 0.00 175.30 173.78 2k70 s LEU 32 N 1.52 3.56 -0.07 -0.88 1.98 0.17 -0.68 118.68 124.28 2k70 s LEU 32 Ca 0.09 0.39 0.17 0.00 -2.89 0.00 0.00 54.13 51.89 2k70 s LEU 32 Cb -0.18 -3.41 -0.25 0.00 0.66 0.00 0.00 46.19 43.01 2k70 s LEU 32 CO -0.21 -1.37 0.28 1.33 -1.89 0.00 0.00 176.35 174.49 2k70 n VAL 33 N 6.83 0.35 -3.76 1.68 0.24 0.19 -0.32 118.33 123.54 2k70 n VAL 33 Ca 0.12 -0.49 -0.09 0.00 -2.04 0.00 0.00 64.34 61.83 2k70 n VAL 33 Cb 0.49 -0.11 0.02 0.00 -1.47 0.00 0.00 33.84 32.77 2k70 n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k70 n GLY 34 N 1.65 1.20 2.43 7.63 0.00 -1.17 -4.72 105.19 112.22 2k70 n GLY 34 Ca -0.10 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 2k70 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k70 n ALA 35 N -0.78 -0.75 -3.49 4.61 0.00 -1.26 -1.24 120.51 117.60 2k70 n ALA 35 Ca -0.15 -0.97 -0.09 0.00 0.00 0.00 0.00 53.44 52.22 2k70 n ALA 35 Cb 0.54 0.78 -0.03 0.00 0.00 0.00 0.00 19.45 20.74 2k70 n ALA 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k70 s ARG 36 N -2.29 1.50 -0.07 0.00 3.52 -0.71 -4.86 118.95 116.05 2k70 s ARG 36 Ca 0.15 -0.87 -0.29 0.00 -0.13 0.00 0.00 55.73 54.59 2k70 s ARG 36 Cb -0.02 0.56 0.10 0.00 -1.56 0.00 0.00 34.95 34.03 2k70 s ARG 36 CO 0.11 -0.66 0.88 -0.08 -0.81 0.00 0.00 175.30 174.74 2k70 s THR 37 N -3.88 0.00 -1.18 4.11 -1.32 -1.26 -2.06 115.64 110.05 2k70 s THR 37 Ca 0.09 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.65 2k70 s THR 37 Cb -0.03 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.06 2k70 s THR 37 CO -0.01 0.00 1.20 -0.81 -2.21 0.00 0.00 174.62 172.79 2k70 n PRO 38 N 0.39 0.05 -2.58 7.08 -0.04 -1.26 -3.50 135.00 135.15 2k70 n PRO 38 Ca -0.12 0.30 -0.18 0.00 -0.04 0.00 0.00 63.50 63.46 2k70 n PRO 38 Cb 0.59 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2k70 n PRO 38 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2k70 n VAL 39 N -1.41 1.69 -3.53 0.52 0.24 -1.26 -4.49 118.33 110.09 2k70 n VAL 39 Ca 0.03 -4.03 -0.01 0.00 -2.04 0.00 0.00 64.34 58.29 2k70 n VAL 39 Cb 0.08 -0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 32.08 2k70 n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k70 s ALA 40 N -3.33 -2.40 0.22 2.33 0.00 -1.23 -4.00 121.76 113.34 2k70 s ALA 40 Ca 0.38 2.18 0.25 0.00 0.00 0.00 0.00 51.96 54.77 2k70 s ALA 40 Cb 0.43 -1.86 1.08 0.00 0.00 0.00 0.00 23.12 22.77 2k70 s ALA 40 CO -0.08 -0.75 1.90 1.49 0.00 0.00 0.00 175.76 178.32 2k70 h GLU 41 N 7.19 0.00 -3.67 0.00 4.57 0.11 -3.41 114.58 119.37 2k70 h GLU 41 Ca -0.20 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.77 2k70 h GLU 41 Cb 1.14 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 29.47 2k70 h GLU 41 CO 0.12 0.20 -0.66 1.03 -1.18 0.00 0.00 179.01 178.52 2k70 s ARG 42 N -3.80 0.13 0.06 1.92 0.52 -0.81 -5.03 118.95 111.94 2k70 s ARG 42 Ca -0.00 -0.08 0.09 0.00 -0.52 0.00 0.00 55.73 55.21 2k70 s ARG 42 Cb 0.11 0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.60 2k70 s ARG 42 CO 0.62 -0.02 -0.24 0.54 0.02 0.00 0.00 175.30 176.22 2k70 s VAL 43 N -0.33 1.93 0.25 3.52 0.11 -1.26 -0.83 120.40 123.80 2k70 s VAL 43 Ca -0.04 -1.38 0.10 0.00 -2.93 0.00 0.00 61.98 57.73 2k70 s VAL 43 Cb -0.02 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 2k70 s VAL 43 CO -0.00 0.23 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.32 2k70 s GLU 44 N -1.39 2.10 -0.23 1.54 2.02 0.41 -4.98 118.70 118.17 2k70 s GLU 44 Ca 0.10 -1.47 -0.04 0.00 0.02 0.00 0.00 54.97 53.58 2k70 s GLU 44 Cb -0.10 -2.07 -0.00 0.00 0.10 0.00 0.00 34.13 32.06 2k70 s GLU 44 CO 0.03 0.37 -0.04 -1.17 0.02 0.00 0.00 175.26 174.47 2k70 s LEU 45 N -3.45 2.99 0.29 1.80 2.96 -1.26 -1.13 118.68 120.89 2k70 s LEU 45 Ca 0.30 -0.47 0.09 0.00 -0.22 0.00 0.00 54.13 53.83 2k70 s LEU 45 Cb -0.07 -1.74 -0.06 0.00 0.50 0.00 0.00 46.19 44.83 2k70 s LEU 45 CO 0.18 -0.04 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.05 2k70 s HIS 46 N 1.46 2.12 0.44 5.38 3.76 -0.07 -0.52 115.29 127.86 2k70 s HIS 46 Ca 0.05 -0.54 0.02 0.00 -0.15 0.00 0.00 55.06 54.44 2k70 s HIS 46 Cb -0.15 -1.12 0.02 0.00 1.11 0.00 0.00 32.58 32.45 2k70 s HIS 46 CO -0.03 0.48 0.16 -0.85 -0.85 0.00 0.00 174.74 173.64 2k70 n GLU 47 N -0.62 0.90 -3.68 1.40 0.28 0.23 -1.08 120.64 118.06 2k70 n GLU 47 Ca -0.06 -2.98 -0.14 0.00 -0.16 0.00 0.00 57.16 53.83 2k70 n GLU 47 Cb 0.62 0.59 -0.09 0.00 1.43 0.00 0.00 31.44 33.99 2k70 n GLU 47 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2k70 s THR 48 N -2.40 0.00 0.24 3.84 2.01 -0.88 -3.02 115.64 115.43 2k70 s THR 48 Ca 0.12 -0.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 2k70 s THR 48 Cb -0.01 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 2k70 s THR 48 CO 0.07 -0.02 0.40 0.72 -0.69 0.00 0.00 174.62 175.11 2k70 s PHE 49 N 0.05 0.58 0.10 4.92 -0.12 -0.29 -3.89 117.98 119.33 2k70 s PHE 49 Ca -0.02 -0.91 -0.06 0.00 -0.05 0.00 0.00 56.93 55.89 2k70 s PHE 49 Cb -0.04 0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.31 2k70 s PHE 49 CO 0.02 -0.92 0.36 -1.64 -0.05 0.00 0.00 175.22 172.98 2k70 s MET 50 N -3.99 3.65 0.07 1.99 -1.94 -1.26 -1.31 119.30 116.50 2k70 s MET 50 Ca 0.27 -0.02 -0.21 0.00 -1.71 0.00 0.00 55.69 54.02 2k70 s MET 50 Cb 0.01 -2.94 0.05 0.00 2.01 0.00 0.00 34.83 33.96 2k70 s MET 50 CO 0.10 0.53 0.50 0.50 -0.01 0.00 0.00 175.02 176.64 2k70 s ARG 51 N -2.27 1.05 -0.11 2.03 3.00 0.09 -4.88 118.95 117.86 2k70 s ARG 51 Ca 0.36 -0.34 -0.04 0.00 -1.00 0.00 0.00 55.73 54.71 2k70 s ARG 51 Cb -0.13 0.48 -0.04 0.00 0.00 0.00 0.00 34.95 35.26 2k70 s ARG 51 CO 0.21 -0.39 0.05 -2.00 0.00 0.00 0.00 175.30 173.17 2k70 s GLU 52 N -2.77 3.31 -0.12 5.12 2.56 -1.26 -0.16 118.70 125.37 2k70 s GLU 52 Ca -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 54.97 54.60 2k70 s GLU 52 Cb -0.00 -2.98 0.03 0.00 2.00 0.00 0.00 34.13 33.18 2k70 s GLU 52 CO -0.04 0.63 -0.04 0.08 -0.56 0.00 0.00 175.26 175.33 2k70 s VAL 53 N -0.66 0.82 -1.43 3.70 1.01 0.04 -4.88 120.40 119.00 2k70 s VAL 53 Ca 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2k70 s VAL 53 Cb -0.12 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.32 2k70 s VAL 53 CO 0.02 0.25 0.33 1.21 0.00 0.00 0.00 175.10 176.91 2k70 n GLU 54 N 5.00 -3.18 -0.97 2.72 2.13 -1.26 -1.30 120.64 123.77 2k70 n GLU 54 Ca -0.11 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2k70 n GLU 54 Cb 0.49 -5.40 0.00 0.00 0.27 0.00 0.00 31.44 26.81 2k70 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k70 n GLY 55 N -1.27 0.63 3.28 8.31 0.00 -1.26 -5.01 105.19 109.88 2k70 n GLY 55 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2k70 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k70 s LYS 56 N -0.19 3.26 0.15 1.61 1.02 -0.42 -5.09 119.74 120.08 2k70 s LYS 56 Ca 0.00 -0.72 -0.33 0.00 0.02 0.00 0.00 55.97 54.94 2k70 s LYS 56 Cb 0.00 -2.70 -0.13 0.00 -0.52 0.00 0.00 37.83 34.49 2k70 s LYS 56 CO 0.00 -0.00 1.69 1.63 -0.92 0.00 0.00 175.35 177.74 2k70 n LYS 57 N 4.14 2.44 -4.21 1.68 4.01 -1.26 -0.78 118.16 124.18 2k70 n LYS 57 Ca -0.19 0.88 -0.19 0.00 -0.51 0.00 0.00 58.31 58.30 2k70 n LYS 57 Cb 0.52 -2.70 -0.12 0.00 -0.51 0.00 0.00 35.03 32.22 2k70 n LYS 57 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2k70 s VAL 58 N 1.51 1.27 -0.13 -0.18 1.01 0.77 -4.89 120.40 119.76 2k70 s VAL 58 Ca 0.79 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2k70 s VAL 58 Cb -0.60 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 2k70 s VAL 58 CO 0.37 -0.26 -0.15 -0.04 0.00 0.00 0.00 175.10 175.02 2k70 s MET 59 N -2.05 3.31 0.46 2.72 -1.94 -1.26 -0.73 119.30 119.81 2k70 s MET 59 Ca 0.03 -0.73 0.03 0.00 -1.71 0.00 0.00 55.69 53.31 2k70 s MET 59 Cb -0.08 -2.57 -0.03 0.00 2.01 0.00 0.00 34.83 34.16 2k70 s MET 59 CO 0.03 0.20 0.03 0.20 -0.01 0.00 0.00 175.02 175.46 2k70 s GLY 60 N 0.37 2.76 -0.17 -0.03 0.00 -0.42 -4.95 107.32 104.89 2k70 s GLY 60 Ca -0.12 -1.10 -0.15 0.00 0.00 0.00 0.00 44.72 43.35 2k70 s GLY 60 CO 0.06 -2.08 0.44 -0.29 0.00 0.00 0.00 173.10 171.22 2k70 s MET 61 N -3.81 0.50 0.01 2.90 0.00 -1.26 -1.13 119.30 116.50 2k70 s MET 61 Ca 0.18 0.63 -0.09 0.00 0.00 0.00 0.00 55.69 56.41 2k70 s MET 61 Cb 0.04 0.22 0.01 0.00 0.00 0.00 0.00 34.83 35.10 2k70 s MET 61 CO 0.09 -0.07 0.18 1.03 0.00 0.00 0.00 175.02 176.25 2k70 s ARG 62 N 0.35 0.57 0.52 4.11 1.81 -1.17 -5.01 118.95 120.14 2k70 s ARG 62 Ca -0.01 -0.43 -0.19 0.00 -1.72 0.00 0.00 55.73 53.38 2k70 s ARG 62 Cb -0.04 0.24 -0.07 0.00 -0.45 0.00 0.00 34.95 34.64 2k70 s ARG 62 CO -0.01 -0.15 1.08 -1.25 -0.68 0.00 0.00 175.30 174.29 2k70 s PRO 63 N -1.71 3.55 0.03 3.54 0.04 -1.26 -0.61 135.00 138.59 2k70 s PRO 63 Ca -0.12 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.38 2k70 s PRO 63 Cb -0.05 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 2k70 s PRO 63 CO 0.01 -0.66 -0.07 0.14 0.04 0.00 0.00 177.00 176.46 2k70 s VAL 64 N -1.97 0.46 -0.28 -0.36 -7.23 0.32 -4.81 120.40 106.53 2k70 s VAL 64 Ca 0.69 -0.88 0.26 0.00 -1.81 0.00 0.00 61.98 60.25 2k70 s VAL 64 Cb -0.19 -0.51 0.35 0.00 0.56 0.00 0.00 36.38 36.59 2k70 s VAL 64 CO 0.25 -0.29 1.73 1.55 -0.31 0.00 0.00 175.10 178.03 2k70 h PRO 65 N 4.84 0.00 -1.28 4.82 0.13 -1.95 -3.43 132.00 135.12 2k70 h PRO 65 Ca -0.34 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.14 2k70 h PRO 65 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2k70 h PRO 65 CO 0.43 0.00 0.89 -0.59 -0.23 0.00 0.00 178.00 178.50 2k70 s PHE 66 N -3.35 -0.03 0.16 1.56 -0.12 -1.26 -4.76 117.98 110.18 2k70 s PHE 66 Ca 0.05 -0.03 0.07 0.00 -0.05 0.00 0.00 56.93 56.98 2k70 s PHE 66 Cb 0.06 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 2k70 s PHE 66 CO 0.63 -0.17 -0.03 -0.51 -0.05 0.00 0.00 175.22 175.09 2k70 s LEU 67 N -2.86 3.22 0.01 -1.99 1.43 0.56 -4.98 118.68 114.07 2k70 s LEU 67 Ca 0.14 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2k70 s LEU 67 Cb 0.05 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 2k70 s LEU 67 CO -0.05 0.11 -0.21 -0.70 0.23 0.00 0.00 176.35 175.74 2k70 s GLU 68 N -2.76 1.56 -0.04 1.70 2.12 -1.26 -0.65 118.70 119.37 2k70 s GLU 68 Ca 0.26 -0.83 -0.01 0.00 0.36 0.00 0.00 54.97 54.75 2k70 s GLU 68 Cb -0.10 -1.58 0.03 0.00 0.26 0.00 0.00 34.13 32.75 2k70 s GLU 68 CO 0.17 0.42 0.07 0.08 -0.54 0.00 0.00 175.26 175.47 2k70 s VAL 69 N -0.62 -0.06 0.68 3.70 1.01 -0.09 -4.90 120.40 120.12 2k70 s VAL 69 Ca 0.08 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 2k70 s VAL 69 Cb -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2k70 s VAL 69 CO 0.00 0.09 1.07 -2.16 0.00 0.00 0.00 175.10 174.09 2k70 s PRO 70 N 1.14 2.94 0.34 2.72 0.04 -1.26 -0.77 135.00 140.15 2k70 s PRO 70 Ca -0.09 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 2k70 s PRO 70 Cb -0.12 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 2k70 s PRO 70 CO -0.04 -1.11 1.53 -1.25 0.04 0.00 0.00 177.00 176.17 2k70 s PRO 71 N -4.71 4.11 0.00 0.56 0.04 -1.25 -2.28 135.00 131.47 2k70 s PRO 71 Ca 0.60 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.22 2k70 s PRO 71 Cb -0.15 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2k70 s PRO 71 CO 0.50 -0.58 0.00 1.63 0.04 0.00 0.00 177.00 178.59 2k70 n LYS 72 N 1.16 0.00 -2.47 4.56 4.76 -0.57 -4.84 118.16 120.76 2k70 n LYS 72 Ca 0.04 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.23 2k70 n LYS 72 Cb 0.38 -2.11 0.14 0.00 -1.84 0.00 0.00 35.03 31.60 2k70 n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k70 s GLY 73 N -1.69 1.76 0.16 0.72 0.00 -0.97 -4.77 107.32 102.54 2k70 s GLY 73 Ca 0.00 -1.73 0.08 0.00 0.00 0.00 0.00 44.72 43.07 2k70 s GLY 73 CO 0.00 -1.07 -0.16 0.50 0.00 0.00 0.00 173.10 172.36 2k70 s ARG 74 N -5.34 1.23 -0.18 2.90 0.52 -1.26 -0.90 118.95 115.92 2k70 s ARG 74 Ca 0.69 -1.41 -0.05 0.00 -0.52 0.00 0.00 55.73 54.45 2k70 s ARG 74 Cb -0.04 -1.18 0.09 0.00 0.52 0.00 0.00 34.95 34.34 2k70 s ARG 74 CO 0.47 0.23 0.33 0.08 0.02 0.00 0.00 175.30 176.43 2k70 s VAL 75 N -2.28 -0.52 0.32 3.52 1.01 -0.11 -4.93 120.40 117.41 2k70 s VAL 75 Ca 0.16 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.00 2k70 s VAL 75 Cb -0.04 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.63 2k70 s VAL 75 CO 0.06 0.02 1.03 -1.61 0.00 0.00 0.00 175.10 174.59 2k70 s GLU 76 N 2.50 4.50 -0.97 2.72 8.01 -1.26 -2.96 118.70 131.24 2k70 s GLU 76 Ca 0.03 1.56 -0.21 0.00 0.01 0.00 0.00 54.97 56.36 2k70 s GLU 76 Cb -0.13 -2.90 -0.11 0.00 -4.31 0.00 0.00 34.13 26.68 2k70 s GLU 76 CO -0.12 0.15 1.94 1.28 0.01 0.00 0.00 175.26 178.52 2k70 n LEU 77 N 0.67 4.05 -4.77 1.80 4.32 0.06 -4.60 117.00 118.53 2k70 n LEU 77 Ca 0.01 -3.12 -0.39 0.00 -0.02 0.00 0.00 56.01 52.49 2k70 n LEU 77 Cb 0.48 -1.37 -0.02 0.00 -1.62 0.00 0.00 43.42 40.89 2k70 n LEU 77 CO 0.48 -0.64 0.88 -1.59 -1.22 0.00 0.00 177.39 175.30 2k70 s LYS 78 N 5.24 4.16 0.00 3.23 -2.85 -0.83 -4.07 119.74 124.62 2k70 s LYS 78 Ca 0.60 1.96 0.11 0.00 -1.00 0.00 0.00 55.97 57.63 2k70 s LYS 78 Cb 0.10 -2.82 0.55 0.00 -2.06 0.00 0.00 37.83 33.60 2k70 s LYS 78 CO 0.11 -0.26 1.20 -0.35 0.10 0.00 0.00 175.35 176.14 2k70 n PRO 79 N 0.34 0.19 -2.55 1.78 -0.04 -1.26 -1.35 135.00 132.11 2k70 n PRO 79 Ca 0.03 0.15 -0.27 0.00 -0.04 0.00 0.00 63.50 63.37 2k70 n PRO 79 Cb 0.45 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 2k70 n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k70 n GLY 80 N -0.38 5.88 0.00 0.55 0.00 -1.26 -5.03 105.19 104.95 2k70 n GLY 80 Ca 0.06 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.33 2k70 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k70 n GLY 81 N -0.44 -0.39 3.75 -0.02 0.00 -0.46 -4.77 105.19 102.86 2k70 n GLY 81 Ca 0.37 0.29 -0.41 0.00 0.00 0.00 0.00 46.02 46.28 2k70 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k70 s TYR 82 N 0.00 3.47 0.03 1.61 2.02 -1.21 -2.07 117.35 121.20 2k70 s TYR 82 Ca 0.00 1.53 -0.27 0.00 -0.37 0.00 0.00 57.07 57.95 2k70 s TYR 82 Cb 0.00 -3.38 0.08 0.00 -0.40 0.00 0.00 41.96 38.26 2k70 s TYR 82 CO 0.00 -0.97 0.73 -3.38 -1.57 0.00 0.00 175.55 170.36 2k70 s HIS 83 N -0.46 -0.51 0.34 2.71 -3.43 -0.24 -1.96 115.29 111.74 2k70 s HIS 83 Ca 0.50 0.55 -0.23 0.00 -0.80 0.00 0.00 55.06 55.08 2k70 s HIS 83 Cb -0.32 0.50 -0.10 0.00 -1.43 0.00 0.00 32.58 31.23 2k70 s HIS 83 CO 0.39 -0.66 0.89 -0.06 -2.00 0.00 0.00 174.74 173.30 2k70 s PHE 84 N -2.65 3.55 -0.19 0.38 0.08 -0.85 -0.89 117.98 117.41 2k70 s PHE 84 Ca -0.02 1.62 -0.10 0.00 0.12 0.00 0.00 56.93 58.56 2k70 s PHE 84 Cb -0.01 -2.82 -0.05 0.00 -0.57 0.00 0.00 43.02 39.58 2k70 s PHE 84 CO -0.04 0.13 0.13 1.41 -0.10 0.00 0.00 175.22 176.75 2k70 s MET 85 N -2.44 4.12 -0.06 0.44 1.75 -0.28 -1.17 119.30 121.67 2k70 s MET 85 Ca 0.53 -0.21 0.03 0.00 -1.25 0.00 0.00 55.69 54.78 2k70 s MET 85 Cb -0.15 -3.40 -0.03 0.00 2.84 0.00 0.00 34.83 34.10 2k70 s MET 85 CO 0.20 0.34 -0.13 -0.51 -0.65 0.00 0.00 175.02 174.27 2k70 s LEU 86 N 0.24 2.82 0.02 4.11 1.02 0.12 -0.44 118.68 126.57 2k70 s LEU 86 Ca 0.09 -0.17 0.01 0.00 0.02 0.00 0.00 54.13 54.07 2k70 s LEU 86 Cb -0.11 -1.59 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 2k70 s LEU 86 CO -0.01 0.33 -0.05 -0.76 0.02 0.00 0.00 176.35 175.88 2k70 s LEU 87 N -0.63 2.16 -0.70 1.79 1.02 -0.01 -0.67 118.68 121.65 2k70 s LEU 87 Ca 0.09 -0.36 -0.03 0.00 0.02 0.00 0.00 54.13 53.86 2k70 s LEU 87 Cb -0.11 -0.09 0.00 0.00 0.02 0.00 0.00 46.19 46.01 2k70 s LEU 87 CO 0.01 -0.14 0.60 0.61 0.02 0.00 0.00 176.35 177.45 2k70 n GLY 88 N 2.05 0.08 3.73 -3.19 0.00 -0.91 -1.31 105.19 105.65 2k70 n GLY 88 Ca -0.19 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 2k70 n GLY 88 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k70 s LEU 89 N -4.39 3.52 0.00 0.99 0.05 -1.23 -1.33 118.68 116.28 2k70 s LEU 89 Ca 0.18 2.49 0.12 0.00 0.05 0.00 0.00 54.13 56.97 2k70 s LEU 89 Cb -0.08 -4.60 0.05 0.00 -2.05 0.00 0.00 46.19 39.51 2k70 s LEU 89 CO 0.40 -1.99 0.81 0.29 -0.55 0.00 0.00 176.35 175.31 2k70 n LYS 90 N -2.08 1.33 -3.99 1.48 4.01 -1.26 -4.79 118.16 112.86 2k70 n LYS 90 Ca 0.15 -0.98 -0.17 0.00 -0.51 0.00 0.00 58.31 56.79 2k70 n LYS 90 Cb 0.49 -1.20 -0.16 0.00 -0.51 0.00 0.00 35.03 33.65 2k70 n LYS 90 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2k70 s ARG 91 N -1.29 0.37 0.72 1.97 1.81 -1.26 -5.00 118.95 116.28 2k70 s ARG 91 Ca 0.13 0.01 -0.15 0.00 -1.72 0.00 0.00 55.73 54.00 2k70 s ARG 91 Cb 0.10 -0.49 0.04 0.00 -0.45 0.00 0.00 34.95 34.15 2k70 s ARG 91 CO 0.23 -0.08 1.20 -1.25 -0.68 0.00 0.00 175.30 174.71 2k70 s PRO 92 N 0.78 2.19 -0.48 3.54 0.04 -1.26 -4.98 135.00 134.83 2k70 s PRO 92 Ca -0.08 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.65 2k70 s PRO 92 Cb -0.11 -1.84 0.13 0.00 0.04 0.00 0.00 34.50 32.71 2k70 s PRO 92 CO -0.01 -1.79 0.29 -0.51 0.04 0.00 0.00 177.00 175.02 2k70 s LEU 93 N -5.13 5.33 0.12 -3.56 1.43 0.11 -4.99 118.68 111.99 2k70 s LEU 93 Ca 0.74 -2.24 -0.27 0.00 -1.03 0.00 0.00 54.13 51.32 2k70 s LEU 93 Cb -0.28 -1.86 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 2k70 s LEU 93 CO 0.45 -0.52 0.86 -0.54 0.23 0.00 0.00 176.35 176.83 2k70 s LYS 94 N 0.84 4.63 -0.12 1.70 3.01 -1.26 -0.56 119.74 127.98 2k70 s LYS 94 Ca 0.10 1.27 -0.36 0.00 -1.01 0.00 0.00 55.97 55.98 2k70 s LYS 94 Cb -0.22 -3.33 -0.13 0.00 -1.01 0.00 0.00 37.83 33.13 2k70 s LYS 94 CO -0.04 0.36 1.79 0.00 0.51 0.00 0.00 175.35 177.98 2k70 n ALA 95 N 2.32 0.50 0.00 5.17 0.00 -1.26 -1.59 120.51 125.65 2k70 n ALA 95 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2k70 n ALA 95 Cb 0.49 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2k70 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k70 n GLY 96 N 4.19 0.44 0.27 0.00 0.00 -0.02 -4.99 105.19 105.08 2k70 n GLY 96 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 2k70 n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k70 n GLU 97 N -1.83 0.03 -3.76 1.61 1.02 -0.62 -4.85 120.64 112.24 2k70 n GLU 97 Ca 0.00 -0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 56.87 2k70 n GLU 97 Cb 0.00 -0.09 -0.12 0.00 -0.02 0.00 0.00 31.44 31.22 2k70 n GLU 97 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k70 s GLU 98 N -3.09 0.30 -0.02 3.49 2.02 -1.26 0.11 118.70 120.26 2k70 s GLU 98 Ca 0.05 0.47 -0.00 0.00 0.02 0.00 0.00 54.97 55.51 2k70 s GLU 98 Cb -0.00 0.07 0.02 0.00 0.10 0.00 0.00 34.13 34.32 2k70 s GLU 98 CO 0.04 -0.08 0.02 0.08 0.02 0.00 0.00 175.26 175.34 2k70 s VAL 99 N 0.56 -0.04 0.32 2.63 1.01 0.40 -4.86 120.40 120.41 2k70 s VAL 99 Ca -0.03 0.16 -0.27 0.00 0.00 0.00 0.00 61.98 61.84 2k70 s VAL 99 Cb -0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 36.38 36.17 2k70 s VAL 99 CO -0.03 0.07 0.95 -1.61 0.00 0.00 0.00 175.10 174.48 2k70 s GLU 100 N 0.79 4.60 -0.01 2.72 2.02 -1.26 -1.58 118.70 125.97 2k70 s GLU 100 Ca -0.07 1.37 0.05 0.00 0.02 0.00 0.00 54.97 56.34 2k70 s GLU 100 Cb -0.09 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 2k70 s GLU 100 CO -0.02 0.28 -0.16 -0.51 0.02 0.00 0.00 175.26 174.87 2k70 s LEU 101 N -1.97 2.02 -0.25 1.80 1.02 -0.17 -4.24 118.68 116.90 2k70 s LEU 101 Ca 0.49 -0.29 -0.09 0.00 0.02 0.00 0.00 54.13 54.26 2k70 s LEU 101 Cb -0.20 -0.83 -0.04 0.00 0.02 0.00 0.00 46.19 45.14 2k70 s LEU 101 CO 0.25 0.19 0.13 -0.62 0.02 0.00 0.00 176.35 176.33 2k70 s ASP 102 N -0.34 5.74 -0.30 2.29 2.15 -0.87 -0.60 116.67 124.74 2k70 s ASP 102 Ca 0.05 -0.02 -0.09 0.00 0.43 0.00 0.00 52.55 52.92 2k70 s ASP 102 Cb -0.06 -2.04 -0.01 0.00 -0.30 0.00 0.00 42.92 40.50 2k70 s ASP 102 CO -0.00 0.02 0.14 -0.76 -0.17 0.00 0.00 175.17 174.40 2k70 s LEU 103 N 1.32 3.99 -0.57 -1.34 1.02 0.16 -1.74 118.68 121.53 2k70 s LEU 103 Ca 0.06 -0.43 -0.25 0.00 0.02 0.00 0.00 54.13 53.53 2k70 s LEU 103 Cb -0.15 -2.00 0.04 0.00 0.02 0.00 0.00 46.19 44.11 2k70 s LEU 103 CO 0.06 -0.16 1.01 -0.76 0.02 0.00 0.00 176.35 176.52 2k70 s LEU 104 N 1.62 3.95 -0.43 1.79 1.43 -0.37 -3.12 118.68 123.55 2k70 s LEU 104 Ca 0.05 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 2k70 s LEU 104 Cb -0.17 -2.86 0.06 0.00 0.03 0.00 0.00 46.19 43.25 2k70 s LEU 104 CO 0.06 -1.31 0.31 -0.36 0.23 0.00 0.00 176.35 175.27 2k70 s PHE 105 N 4.23 3.28 -1.80 0.29 0.08 -0.11 -0.64 117.98 123.31 2k70 s PHE 105 Ca 0.33 -1.11 0.00 0.00 0.12 0.00 0.00 56.93 56.26 2k70 s PHE 105 Cb -0.12 -2.91 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 2k70 s PHE 105 CO 0.20 -0.77 0.00 0.00 -0.10 0.00 0.00 175.22 174.55 2k70 n ALA 106 N 5.06 -0.29 0.00 5.36 0.00 0.14 -1.78 120.51 129.01 2k70 n ALA 106 Ca -0.11 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2k70 n ALA 106 Cb 0.44 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2k70 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k70 n GLY 107 N -0.36 1.31 0.00 0.00 0.00 -1.26 -4.68 105.19 100.20 2k70 n GLY 107 Ca -0.17 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 45.92 2k70 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k70 n GLY 108 N 0.00 -1.16 3.23 -0.02 0.00 -1.21 -4.66 105.19 101.38 2k70 n GLY 108 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 2k70 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k70 s LYS 109 N -3.01 1.31 -0.02 1.61 1.02 -0.73 -5.07 119.74 114.86 2k70 s LYS 109 Ca 0.09 -0.92 -0.06 0.00 0.02 0.00 0.00 55.97 55.11 2k70 s LYS 109 Cb 0.12 -1.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.02 2k70 s LYS 109 CO 0.35 0.36 0.13 0.54 -0.92 0.00 0.00 175.35 175.80 2k70 s VAL 110 N -0.81 0.06 -0.23 3.17 0.11 -1.26 -0.93 120.40 120.50 2k70 s VAL 110 Ca 0.07 -0.46 -0.17 0.00 -2.93 0.00 0.00 61.98 58.49 2k70 s VAL 110 Cb -0.09 -0.34 0.06 0.00 -1.53 0.00 0.00 36.38 34.49 2k70 s VAL 110 CO 0.02 -0.25 0.58 -0.22 -3.33 0.00 0.00 175.10 171.89 2k70 s LEU 111 N -0.86 -0.41 0.13 2.54 0.20 -1.18 -4.98 118.68 114.12 2k70 s LEU 111 Ca -0.09 1.21 0.02 0.00 0.69 0.00 0.00 54.13 55.96 2k70 s LEU 111 Cb -0.05 1.97 -0.04 0.00 -0.43 0.00 0.00 46.19 47.64 2k70 s LEU 111 CO 0.01 -0.21 0.24 -1.59 -0.29 0.00 0.00 176.35 174.51 2k70 s LYS 112 N 0.94 3.34 0.09 1.98 -2.85 -1.26 -0.66 119.74 121.32 2k70 s LYS 112 Ca -0.05 -0.61 0.02 0.00 -1.00 0.00 0.00 55.97 54.32 2k70 s LYS 112 Cb -0.05 -2.92 -0.04 0.00 -2.06 0.00 0.00 37.83 32.75 2k70 s LYS 112 CO -0.08 0.53 -0.07 0.08 0.10 0.00 0.00 175.35 175.91 2k70 s VAL 113 N -1.69 0.67 -0.07 1.79 1.01 0.23 -4.99 120.40 117.36 2k70 s VAL 113 Ca 0.34 -1.82 0.02 0.00 0.00 0.00 0.00 61.98 60.51 2k70 s VAL 113 Cb -0.11 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.74 2k70 s VAL 113 CO 0.27 -0.81 -0.10 0.54 0.00 0.00 0.00 175.10 175.01 2k70 s VAL 114 N -3.33 1.00 0.01 2.92 0.11 -1.26 -1.00 120.40 118.85 2k70 s VAL 114 Ca 0.09 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 2k70 s VAL 114 Cb 0.03 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2k70 s VAL 114 CO -0.04 0.33 -0.04 -1.48 -3.33 0.00 0.00 175.10 170.54 2k70 s LEU 115 N 0.85 2.11 0.77 2.54 2.34 -0.62 -4.88 118.68 121.79 2k70 s LEU 115 Ca -0.11 -0.25 -0.14 0.00 0.06 0.00 0.00 54.13 53.69 2k70 s LEU 115 Cb -0.15 -0.09 0.06 0.00 -0.56 0.00 0.00 46.19 45.45 2k70 s LEU 115 CO 0.02 -0.09 1.19 -2.16 -1.06 0.00 0.00 176.35 174.25 2k70 s PRO 116 N -0.68 1.93 -0.19 1.48 0.04 -1.25 -0.45 135.00 135.88 2k70 s PRO 116 Ca -0.05 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 62.49 2k70 s PRO 116 Cb -0.05 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2k70 s PRO 116 CO -0.00 -1.98 0.52 0.08 0.04 0.00 0.00 177.00 175.66 2k70 s VAL 117 N -2.17 5.12 0.22 -0.36 1.01 0.12 -0.62 120.40 123.71 2k70 s VAL 117 Ca 0.72 0.96 -0.15 0.00 0.00 0.00 0.00 61.98 63.52 2k70 s VAL 117 Cb -0.27 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.28 2k70 s VAL 117 CO 0.48 0.20 0.49 -1.61 0.00 0.00 0.00 175.10 174.66 2k70 s GLU 118 N 1.47 1.45 0.53 2.72 0.41 -0.02 -0.84 118.70 124.43 2k70 s GLU 118 Ca 0.25 -1.06 -0.18 0.00 -0.41 0.00 0.00 54.97 53.56 2k70 s GLU 118 Cb -0.15 0.49 -0.06 0.00 -1.78 0.00 0.00 34.13 32.62 2k70 s GLU 118 CO 0.10 -0.60 1.03 0.00 -0.49 0.00 0.00 175.26 175.30 2k70 s ALA 119 N -3.94 2.86 0.00 5.21 0.00 -1.25 -3.30 121.76 121.33 2k70 s ALA 119 Ca 0.15 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2k70 s ALA 119 Cb -0.01 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2k70 s ALA 119 CO 0.03 -0.48 0.00 -2.13 0.00 0.00 0.00 175.76 173.18