#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k70 s SER 2 N 0.00 -0.05 -0.03 1.61 0.01 -1.26 -5.18 113.70 108.81 2k70 s SER 2 Ca 0.00 -0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.19 2k70 s SER 2 Cb 0.00 0.26 0.01 0.00 0.21 0.00 0.00 66.02 66.50 2k70 s SER 2 CO 0.00 -0.30 0.10 -0.36 0.41 0.00 0.00 173.24 173.09 2k70 s PHE 3 N -1.01 -0.05 0.00 2.43 0.08 -1.26 -5.04 117.98 113.13 2k70 s PHE 3 Ca -0.11 0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.07 2k70 s PHE 3 Cb -0.06 -0.00 0.00 0.00 -0.57 0.00 0.00 43.02 42.39 2k70 s PHE 3 CO 0.02 -0.12 0.00 -2.37 -0.10 0.00 0.00 175.22 172.65 2k70 n THR 4 N 2.55 0.00 -2.99 0.64 5.66 -1.26 -5.07 114.28 113.81 2k70 n THR 4 Ca -0.16 -0.09 -0.18 0.00 -3.05 0.00 0.00 64.05 60.57 2k70 n THR 4 Cb 0.58 0.91 0.02 0.00 -1.55 0.00 0.00 70.33 70.29 2k70 n THR 4 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2k70 s GLU 5 N -0.23 2.70 0.28 1.09 -1.05 -1.26 -4.28 118.70 115.95 2k70 s GLU 5 Ca 0.00 -1.29 -0.02 0.00 -0.15 0.00 0.00 54.97 53.51 2k70 s GLU 5 Cb 0.00 -2.72 0.01 0.00 -0.44 0.00 0.00 34.13 30.98 2k70 s GLU 5 CO 0.00 -0.42 0.39 0.41 0.95 0.00 0.00 175.26 176.59 2k70 n GLY 6 N -1.96 2.29 3.23 -3.83 0.00 -1.26 -4.13 105.19 99.52 2k70 n GLY 6 Ca 0.10 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 2k70 n GLY 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k70 s TRP 7 N -3.38 -0.00 -0.06 1.61 -2.14 -0.29 -4.17 118.94 110.50 2k70 s TRP 7 Ca 0.22 -0.28 -0.16 0.00 2.66 0.00 0.00 56.10 58.54 2k70 s TRP 7 Cb -0.01 0.05 -0.05 0.00 -3.10 0.00 0.00 33.47 30.36 2k70 s TRP 7 CO 0.16 -0.54 0.43 0.08 -2.66 0.00 0.00 176.95 174.42 2k70 s VAL 8 N -3.24 5.11 -0.11 -0.66 1.01 -0.06 -1.25 120.40 121.19 2k70 s VAL 8 Ca -0.00 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 2k70 s VAL 8 Cb 0.02 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2k70 s VAL 8 CO -0.08 0.45 1.57 -0.60 0.00 0.00 0.00 175.10 176.45 2k70 s ARG 9 N -0.20 4.10 0.39 2.72 6.06 -0.09 -0.74 118.95 131.19 2k70 s ARG 9 Ca 0.24 1.97 -0.26 0.00 -2.50 0.00 0.00 55.73 55.17 2k70 s ARG 9 Cb -0.16 -3.95 -0.09 0.00 0.06 0.00 0.00 34.95 30.81 2k70 s ARG 9 CO 0.11 -0.92 1.28 0.12 -2.50 0.00 0.00 175.30 173.40 2k70 s PHE 10 N 4.20 2.90 -0.15 5.12 5.36 0.02 -4.47 117.98 130.96 2k70 s PHE 10 Ca 0.69 1.43 -0.34 0.00 -0.96 0.00 0.00 56.93 57.76 2k70 s PHE 10 Cb -0.29 -3.63 0.13 0.00 -0.34 0.00 0.00 43.02 38.89 2k70 s PHE 10 CO 0.26 -1.93 1.19 -1.12 -1.46 0.00 0.00 175.22 172.16 2k70 s SER 11 N -0.74 -0.14 -0.14 6.13 0.01 -1.26 -4.75 113.70 112.79 2k70 s SER 11 Ca 0.55 -0.02 -0.00 0.00 1.31 0.00 0.00 55.95 57.79 2k70 s SER 11 Cb -0.37 0.17 0.11 0.00 0.21 0.00 0.00 66.02 66.14 2k70 s SER 11 CO 0.48 -0.28 1.87 -0.81 0.41 0.00 0.00 173.24 174.90 2k70 n PRO 12 N -0.16 1.37 -4.23 12.44 -0.04 -1.26 -4.64 135.00 138.47 2k70 n PRO 12 Ca -0.02 -0.74 -0.29 0.00 -0.04 0.00 0.00 63.50 62.42 2k70 n PRO 12 Cb 0.59 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.67 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 1.01 1.78 0.43 0.55 0.00 -1.26 -5.02 107.32 104.81 2k70 s GLY 13 Ca 0.14 -1.31 0.24 0.00 0.00 0.00 0.00 44.72 43.80 2k70 s GLY 13 CO 0.00 -1.30 1.73 -0.56 0.00 0.00 0.00 173.10 172.97 2k70 h PRO 14 N 3.33 0.00 -6.20 2.90 0.13 -1.97 -3.44 132.00 126.76 2k70 h PRO 14 Ca -0.48 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.12 2k70 h PRO 14 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 2k70 h PRO 14 CO 0.53 0.16 -0.54 0.54 -0.23 0.00 0.00 178.00 178.47 2k70 s ASN 15 N -6.14 5.50 0.07 1.44 4.22 -1.26 -1.50 114.94 117.26 2k70 s ASN 15 Ca 0.03 -0.23 -0.02 0.00 -2.14 0.00 0.00 52.86 50.51 2k70 s ASN 15 Cb 0.08 -1.40 0.01 0.00 1.28 0.00 0.00 41.25 41.22 2k70 s ASN 15 CO 0.65 -0.01 0.12 0.00 -2.04 0.00 0.00 177.10 175.82 2k70 n ALA 16 N -0.94 -0.22 -2.65 3.54 0.00 0.29 -4.95 120.51 115.59 2k70 n ALA 16 Ca -0.08 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 2k70 n ALA 16 Cb 0.57 0.21 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.44 -0.37 -0.04 0.00 0.00 -1.26 -0.65 121.76 118.00 2k70 s ALA 17 Ca 0.04 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.52 2k70 s ALA 17 Cb -0.01 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.66 2k70 s ALA 17 CO 0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 175.76 175.21 2k70 s ALA 18 N -3.81 0.62 -0.63 0.00 0.00 0.22 -0.92 121.76 117.23 2k70 s ALA 18 Ca 0.04 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 51.99 2k70 s ALA 18 Cb 0.04 -0.37 0.16 0.00 0.00 0.00 0.00 23.12 22.96 2k70 s ALA 18 CO -0.11 0.01 0.43 0.71 0.00 0.00 0.00 175.76 176.80 2k70 s TYR 19 N 0.76 3.13 0.35 0.00 1.51 -0.38 -2.40 117.35 120.32 2k70 s TYR 19 Ca -0.10 -3.15 -0.03 0.00 -1.01 0.00 0.00 57.07 52.79 2k70 s TYR 19 Cb -0.13 -2.46 -0.04 0.00 -0.11 0.00 0.00 41.96 39.22 2k70 s TYR 19 CO 0.00 -0.62 0.60 -0.48 -1.11 0.00 0.00 175.55 173.94 2k70 s LEU 20 N -1.03 3.95 0.04 -1.29 0.05 -1.26 -1.13 118.68 118.02 2k70 s LEU 20 Ca 0.24 0.64 0.09 0.00 0.05 0.00 0.00 54.13 55.15 2k70 s LEU 20 Cb -0.07 -3.50 -0.03 0.00 -2.05 0.00 0.00 46.19 40.54 2k70 s LEU 20 CO -0.14 -0.31 -0.26 -0.89 -0.55 0.00 0.00 176.35 174.19 2k70 s THR 21 N -2.32 2.16 0.29 5.48 2.01 -1.26 -1.11 115.64 120.90 2k70 s THR 21 Ca 0.43 -1.38 -0.19 0.00 0.31 0.00 0.00 61.69 60.86 2k70 s THR 21 Cb -0.10 -1.84 0.02 0.00 0.01 0.00 0.00 72.50 70.59 2k70 s THR 21 CO 0.36 0.37 0.69 -0.22 -0.69 0.00 0.00 174.62 175.13 2k70 s LEU 22 N -1.24 -0.10 0.02 4.42 2.96 -0.24 -4.56 118.68 119.94 2k70 s LEU 22 Ca 0.12 -0.77 0.02 0.00 -0.22 0.00 0.00 54.13 53.28 2k70 s LEU 22 Cb -0.10 2.59 -0.01 0.00 0.50 0.00 0.00 46.19 49.16 2k70 s LEU 22 CO 0.02 -1.38 -0.06 -1.61 -1.32 0.00 0.00 176.35 172.00 2k70 s GLU 23 N -3.64 0.45 -0.47 1.98 2.02 -1.26 -0.19 118.70 117.59 2k70 s GLU 23 Ca 0.14 -0.45 -0.17 0.00 0.02 0.00 0.00 54.97 54.51 2k70 s GLU 23 Cb -0.05 -0.33 0.05 0.00 0.10 0.00 0.00 34.13 33.90 2k70 s GLU 23 CO 0.08 0.08 0.46 1.21 0.02 0.00 0.00 175.26 177.11 2k70 s ASN 24 N -0.81 6.18 0.00 -0.19 2.47 0.21 -4.79 114.94 118.01 2k70 s ASN 24 Ca -0.04 -1.03 0.29 0.00 0.42 0.00 0.00 52.86 52.50 2k70 s ASN 24 Cb -0.06 -2.22 1.30 0.00 -1.45 0.00 0.00 41.25 38.82 2k70 s ASN 24 CO 0.00 -0.69 1.93 -0.81 -3.72 0.00 0.00 177.10 173.81 2k70 n PRO 25 N 5.57 0.30 -1.66 0.43 -0.04 -1.26 -2.26 135.00 136.08 2k70 n PRO 25 Ca -0.09 -0.04 -0.29 0.00 -0.04 0.00 0.00 63.50 63.03 2k70 n PRO 25 Cb 0.45 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.52 2k70 n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k70 s GLY 26 N -2.73 1.59 0.00 0.55 0.00 -1.26 -4.63 107.32 100.84 2k70 s GLY 26 Ca 0.22 -0.48 0.22 0.00 0.00 0.00 0.00 44.72 44.68 2k70 s GLY 26 CO 0.51 0.02 1.12 1.22 0.00 0.00 0.00 173.10 175.97 2k70 n ASP 27 N -3.53 2.40 -4.54 1.64 8.00 -1.26 -1.58 116.55 117.68 2k70 n ASP 27 Ca 0.07 -1.70 -0.24 0.00 0.71 0.00 0.00 54.79 53.63 2k70 n ASP 27 Cb 0.59 0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 41.84 2k70 n ASP 27 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2k70 s LEU 28 N -2.11 2.83 0.19 0.64 0.05 -1.26 -4.81 118.68 114.21 2k70 s LEU 28 Ca 0.22 -0.84 -0.30 0.00 0.05 0.00 0.00 54.13 53.25 2k70 s LEU 28 Cb 0.18 -1.37 -0.08 0.00 -2.05 0.00 0.00 46.19 42.87 2k70 s LEU 28 CO 0.40 0.04 0.95 -2.16 -0.55 0.00 0.00 176.35 175.03 2k70 s PRO 29 N -3.46 4.80 0.28 1.48 0.04 -1.26 -3.79 135.00 133.09 2k70 s PRO 29 Ca 0.29 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 2k70 s PRO 29 Cb -0.06 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2k70 s PRO 29 CO 0.16 0.40 0.50 -0.51 0.04 0.00 0.00 177.00 177.60 2k70 s LEU 30 N -0.76 4.10 -0.31 -3.56 2.01 0.27 -4.95 118.68 115.49 2k70 s LEU 30 Ca 0.43 0.51 0.02 0.00 0.01 0.00 0.00 54.13 55.11 2k70 s LEU 30 Cb -0.25 -3.33 0.16 0.00 0.01 0.00 0.00 46.19 42.78 2k70 s LEU 30 CO 0.31 -0.18 0.42 -0.60 1.01 0.00 0.00 176.35 177.31 2k70 s ARG 31 N -3.77 0.46 -0.34 1.70 6.06 -1.26 -0.72 118.95 121.08 2k70 s ARG 31 Ca 0.41 -0.02 -0.24 0.00 -2.50 0.00 0.00 55.73 53.37 2k70 s ARG 31 Cb -0.10 -0.34 0.01 0.00 0.06 0.00 0.00 34.95 34.58 2k70 s ARG 31 CO 0.32 -1.07 0.85 -1.17 -2.50 0.00 0.00 175.30 171.73 2k70 s LEU 32 N 2.37 4.06 -0.01 -0.88 0.20 -0.20 -1.04 118.68 123.18 2k70 s LEU 32 Ca 0.11 0.60 0.07 0.00 0.69 0.00 0.00 54.13 55.60 2k70 s LEU 32 Cb -0.12 -3.15 -0.09 0.00 -0.43 0.00 0.00 46.19 42.40 2k70 s LEU 32 CO -0.26 -0.73 0.19 1.33 -0.29 0.00 0.00 176.35 176.60 2k70 n VAL 33 N 5.73 0.00 -3.55 1.68 0.24 0.45 -0.63 118.33 122.25 2k70 n VAL 33 Ca 0.05 -0.22 -0.06 0.00 -2.04 0.00 0.00 64.34 62.07 2k70 n VAL 33 Cb 0.48 0.58 0.02 0.00 -1.47 0.00 0.00 33.84 33.45 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 1.77 1.40 3.64 7.63 0.00 -0.87 -4.79 105.19 113.99 2k70 n GLY 34 Ca -0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 2k70 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k70 s ALA 35 N -1.76 0.01 0.10 4.61 0.00 -1.26 -0.90 121.76 122.56 2k70 s ALA 35 Ca 0.11 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 2k70 s ALA 35 Cb -0.03 0.93 0.02 0.00 0.00 0.00 0.00 23.12 24.05 2k70 s ALA 35 CO 0.08 -0.89 0.33 1.03 0.00 0.00 0.00 175.76 176.32 2k70 s ARG 36 N -2.79 0.97 -0.21 0.00 1.81 0.26 -4.86 118.95 114.13 2k70 s ARG 36 Ca 0.23 -0.73 -0.31 0.00 -1.72 0.00 0.00 55.73 53.21 2k70 s ARG 36 Cb -0.03 0.42 0.15 0.00 -0.45 0.00 0.00 34.95 35.04 2k70 s ARG 36 CO 0.16 -0.35 1.17 -0.08 -0.68 0.00 0.00 175.30 175.51 2k70 s THR 37 N -3.58 0.00 -0.51 0.02 -1.32 -1.26 -0.99 115.64 108.00 2k70 s THR 37 Ca 0.02 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.76 2k70 s THR 37 Cb 0.02 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.30 2k70 s THR 37 CO -0.10 0.00 1.76 1.55 -2.21 0.00 0.00 174.62 175.62 2k70 h PRO 38 N 2.24 0.00 -0.91 7.08 0.13 -2.01 -3.26 132.00 135.27 2k70 h PRO 38 Ca -0.13 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.49 2k70 h PRO 38 Cb 1.18 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.02 2k70 h PRO 38 CO 0.26 0.00 0.58 1.33 -0.23 0.00 0.00 178.00 179.94 2k70 n VAL 39 N -2.44 3.21 -3.69 1.56 0.24 -1.26 -4.33 118.33 111.62 2k70 n VAL 39 Ca 0.03 -2.32 -0.14 0.00 -2.04 0.00 0.00 64.34 59.88 2k70 n VAL 39 Cb 0.35 -0.63 -0.09 0.00 -1.47 0.00 0.00 33.84 32.00 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 -3.42 -1.33 -0.01 2.33 0.00 -1.23 -3.97 121.76 114.13 2k70 s ALA 40 Ca 0.57 1.51 0.02 0.00 0.00 0.00 0.00 51.96 54.06 2k70 s ALA 40 Cb 0.48 -0.87 -0.25 0.00 0.00 0.00 0.00 23.12 22.47 2k70 s ALA 40 CO 0.07 -0.25 0.81 1.49 0.00 0.00 0.00 175.76 177.87 2k70 h GLU 41 N 5.27 0.15 -3.98 0.00 4.81 -0.74 -3.44 114.58 116.66 2k70 h GLU 41 Ca -0.28 -0.26 -0.23 0.00 -0.13 0.00 0.00 59.36 58.47 2k70 h GLU 41 Cb 1.17 0.10 -0.25 0.00 0.63 0.00 0.00 28.75 30.40 2k70 h GLU 41 CO 0.17 0.94 -0.72 1.03 -0.73 0.00 0.00 179.01 179.70 2k70 s ARG 42 N -2.62 0.22 0.03 1.92 0.52 -0.85 -5.03 118.95 113.14 2k70 s ARG 42 Ca -0.08 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 54.84 2k70 s ARG 42 Cb 0.08 -0.05 -0.02 0.00 0.52 0.00 0.00 34.95 35.48 2k70 s ARG 42 CO 0.83 0.00 -0.07 0.54 0.02 0.00 0.00 175.30 176.62 2k70 s VAL 43 N -0.66 0.51 0.03 3.52 0.11 -1.26 -0.89 120.40 121.76 2k70 s VAL 43 Ca -0.06 -0.81 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 2k70 s VAL 43 Cb -0.05 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 2k70 s VAL 43 CO -0.00 -0.22 -0.08 -0.70 -3.33 0.00 0.00 175.10 170.77 2k70 s GLU 44 N -1.12 0.53 -0.28 1.54 2.12 0.08 -5.00 118.70 116.57 2k70 s GLU 44 Ca -0.06 -0.61 -0.06 0.00 0.36 0.00 0.00 54.97 54.60 2k70 s GLU 44 Cb -0.07 -0.38 0.01 0.00 0.26 0.00 0.00 34.13 33.94 2k70 s GLU 44 CO 0.00 0.08 0.06 -1.17 -0.54 0.00 0.00 175.26 173.69 2k70 s LEU 45 N -1.15 3.68 0.19 2.70 2.96 -1.26 -0.30 118.68 125.49 2k70 s LEU 45 Ca -0.06 -0.66 0.10 0.00 -0.22 0.00 0.00 54.13 53.29 2k70 s LEU 45 Cb -0.08 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2k70 s LEU 45 CO 0.00 -0.16 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.73 2k70 s HIS 46 N 1.49 2.51 0.68 5.38 3.76 -0.09 -0.71 115.29 128.32 2k70 s HIS 46 Ca 0.03 -0.27 0.04 0.00 -0.15 0.00 0.00 55.06 54.71 2k70 s HIS 46 Cb -0.17 -1.23 0.13 0.00 1.11 0.00 0.00 32.58 32.42 2k70 s HIS 46 CO 0.01 0.52 0.94 -1.83 -0.85 0.00 0.00 174.74 173.53 2k70 s GLU 47 N -2.82 1.84 -0.02 1.40 -1.05 -0.15 -0.73 118.70 117.16 2k70 s GLU 47 Ca 0.24 -1.46 0.01 0.00 -0.15 0.00 0.00 54.97 53.60 2k70 s GLU 47 Cb -0.08 -2.46 0.01 0.00 -0.44 0.00 0.00 34.13 31.16 2k70 s GLU 47 CO 0.13 -1.29 -0.02 0.99 0.95 0.00 0.00 175.26 176.03 2k70 s THR 48 N -2.97 0.21 0.22 1.83 2.01 0.81 -3.54 115.64 114.21 2k70 s THR 48 Ca 0.66 -0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.68 2k70 s THR 48 Cb -0.04 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 2k70 s THR 48 CO 0.43 0.11 -0.05 0.72 -0.69 0.00 0.00 174.62 175.14 2k70 s PHE 49 N 0.48 1.60 0.09 4.92 -0.12 -0.01 -4.50 117.98 120.43 2k70 s PHE 49 Ca -0.05 -0.81 0.04 0.00 -0.05 0.00 0.00 56.93 56.06 2k70 s PHE 49 Cb -0.08 -0.89 -0.04 0.00 -0.63 0.00 0.00 43.02 41.39 2k70 s PHE 49 CO -0.01 0.09 0.06 1.41 -0.05 0.00 0.00 175.22 176.71 2k70 s MET 50 N -3.79 2.78 0.10 1.99 1.75 -1.26 -1.19 119.30 119.67 2k70 s MET 50 Ca 0.26 -0.74 -0.21 0.00 -1.25 0.00 0.00 55.69 53.75 2k70 s MET 50 Cb 0.04 -2.67 0.05 0.00 2.84 0.00 0.00 34.83 35.10 2k70 s MET 50 CO 0.08 0.55 0.51 0.50 -0.65 0.00 0.00 175.02 176.01 2k70 s ARG 51 N -2.40 1.11 0.04 4.11 3.00 -0.02 -4.93 118.95 119.87 2k70 s ARG 51 Ca 0.28 -0.43 0.04 0.00 -1.00 0.00 0.00 55.73 54.63 2k70 s ARG 51 Cb -0.12 0.51 -0.04 0.00 0.00 0.00 0.00 34.95 35.30 2k70 s ARG 51 CO 0.21 -0.44 -0.05 -2.00 0.00 0.00 0.00 175.30 173.02 2k70 s GLU 52 N -3.18 2.50 -0.14 5.12 2.56 -1.26 -0.21 118.70 124.09 2k70 s GLU 52 Ca -0.01 -0.79 -0.07 0.00 0.00 0.00 0.00 54.97 54.09 2k70 s GLU 52 Cb -0.00 -2.50 0.05 0.00 2.00 0.00 0.00 34.13 33.69 2k70 s GLU 52 CO -0.08 0.57 0.33 0.54 -0.56 0.00 0.00 175.26 176.07 2k70 s VAL 53 N -1.13 -0.06 -1.50 3.70 0.11 -0.08 -4.93 120.40 116.50 2k70 s VAL 53 Ca 0.20 0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.36 2k70 s VAL 53 Cb -0.11 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 2k70 s VAL 53 CO 0.12 0.05 0.32 1.21 -3.33 0.00 0.00 175.10 173.47 2k70 n GLU 54 N 4.31 -3.22 -0.98 1.54 2.13 -1.26 -1.58 120.64 121.59 2k70 n GLU 54 Ca -0.23 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.46 2k70 n GLU 54 Cb 0.54 -5.50 0.00 0.00 0.27 0.00 0.00 31.44 26.75 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 0.42 3.19 8.31 0.00 -1.26 -5.00 105.19 109.58 2k70 n GLY 55 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.49 2.88 0.21 1.61 1.02 -0.61 -5.11 119.74 119.24 2k70 s LYS 56 Ca 0.00 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 54.87 2k70 s LYS 56 Cb 0.00 -2.20 -0.09 0.00 -0.52 0.00 0.00 37.83 35.02 2k70 s LYS 56 CO 0.00 0.15 1.31 0.15 -0.92 0.00 0.00 175.35 176.04 2k70 s LYS 57 N 0.42 4.39 0.24 1.68 -0.14 -1.26 -0.91 119.74 124.15 2k70 s LYS 57 Ca -0.18 2.07 -0.07 0.00 -1.36 0.00 0.00 55.97 56.44 2k70 s LYS 57 Cb -0.18 -3.18 -0.02 0.00 -1.68 0.00 0.00 37.83 32.77 2k70 s LYS 57 CO 0.08 -0.25 0.33 0.54 -0.76 0.00 0.00 175.35 175.29 2k70 s VAL 58 N -0.00 0.00 0.14 3.17 0.11 0.71 -4.93 120.40 119.60 2k70 s VAL 58 Ca 0.56 -1.68 0.04 0.00 -2.93 0.00 0.00 61.98 57.97 2k70 s VAL 58 Cb -0.37 -2.37 -0.04 0.00 -1.53 0.00 0.00 36.38 32.07 2k70 s VAL 58 CO 0.39 0.00 -0.10 -0.04 -3.33 0.00 0.00 175.10 172.02 2k70 s MET 59 N -4.00 1.03 0.19 1.54 -1.94 -1.26 -0.84 119.30 114.02 2k70 s MET 59 Ca 0.30 -1.41 -0.06 0.00 -1.71 0.00 0.00 55.69 52.82 2k70 s MET 59 Cb 0.03 -0.60 0.02 0.00 2.01 0.00 0.00 34.83 36.28 2k70 s MET 59 CO 0.11 0.08 0.36 0.41 -0.01 0.00 0.00 175.02 175.97 2k70 n GLY 60 N -0.08 1.77 3.43 -0.03 0.00 -0.34 -4.94 105.19 105.01 2k70 n GLY 60 Ca -0.11 -1.23 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 2k70 n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k70 s MET 61 N -2.14 0.80 -0.01 1.61 1.75 -1.26 -0.83 119.30 119.22 2k70 s MET 61 Ca 0.10 0.38 -0.28 0.00 -1.25 0.00 0.00 55.69 54.63 2k70 s MET 61 Cb -0.02 0.38 0.08 0.00 2.84 0.00 0.00 34.83 38.11 2k70 s MET 61 CO 0.07 -0.19 0.74 -0.98 -0.65 0.00 0.00 175.02 174.01 2k70 s ARG 62 N -0.58 1.01 0.62 4.11 1.04 -1.23 -5.00 118.95 118.91 2k70 s ARG 62 Ca -0.07 -0.03 -0.13 0.00 -1.04 0.00 0.00 55.73 54.46 2k70 s ARG 62 Cb -0.03 0.47 -0.03 0.00 -2.04 0.00 0.00 34.95 33.32 2k70 s ARG 62 CO 0.05 -0.37 1.04 -1.25 -0.04 0.00 0.00 175.30 174.73 2k70 s PRO 63 N -2.11 3.37 0.04 3.89 0.04 -1.26 -0.98 135.00 137.99 2k70 s PRO 63 Ca -0.04 0.98 -0.02 0.00 0.04 0.00 0.00 61.00 61.95 2k70 s PRO 63 Cb -0.00 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2k70 s PRO 63 CO -0.00 -0.75 0.01 0.14 0.04 0.00 0.00 177.00 176.44 2k70 s VAL 64 N -2.84 0.17 -0.29 -0.36 -7.23 0.11 -4.81 120.40 105.16 2k70 s VAL 64 Ca 0.59 -1.42 0.20 0.00 -1.81 0.00 0.00 61.98 59.54 2k70 s VAL 64 Cb -0.13 -1.11 0.14 0.00 0.56 0.00 0.00 36.38 35.84 2k70 s VAL 64 CO 0.45 -0.78 1.35 1.55 -0.31 0.00 0.00 175.10 177.36 2k70 h PRO 65 N 3.55 0.00 -1.30 4.82 0.13 -1.97 -3.42 132.00 133.81 2k70 h PRO 65 Ca -0.33 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.11 2k70 h PRO 65 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 2k70 h PRO 65 CO 0.57 0.15 0.88 -0.59 -0.23 0.00 0.00 178.00 178.78 2k70 s PHE 66 N -3.16 -0.06 0.15 1.56 -0.71 -1.26 -4.77 117.98 109.73 2k70 s PHE 66 Ca 0.03 0.01 0.07 0.00 -1.04 0.00 0.00 56.93 56.00 2k70 s PHE 66 Cb 0.07 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.36 2k70 s PHE 66 CO 0.73 -0.15 -0.00 -0.51 -1.34 0.00 0.00 175.22 173.95 2k70 s LEU 67 N -2.52 3.35 0.07 -1.99 1.43 0.19 -4.98 118.68 114.23 2k70 s LEU 67 Ca 0.12 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.97 2k70 s LEU 67 Cb 0.02 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2k70 s LEU 67 CO -0.04 0.11 -0.24 -0.70 0.23 0.00 0.00 176.35 175.71 2k70 s GLU 68 N -2.78 1.50 -0.02 1.70 2.12 -1.26 -1.03 118.70 118.92 2k70 s GLU 68 Ca 0.27 -1.12 -0.00 0.00 0.36 0.00 0.00 54.97 54.48 2k70 s GLU 68 Cb -0.10 -1.74 0.03 0.00 0.26 0.00 0.00 34.13 32.58 2k70 s GLU 68 CO 0.18 0.43 0.03 0.08 -0.54 0.00 0.00 175.26 175.45 2k70 s VAL 69 N -0.91 -0.05 0.93 3.70 1.01 0.10 -4.98 120.40 120.20 2k70 s VAL 69 Ca 0.10 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 2k70 s VAL 69 Cb -0.10 -0.08 0.15 0.00 0.00 0.00 0.00 36.38 36.36 2k70 s VAL 69 CO 0.03 0.08 1.09 -2.16 0.00 0.00 0.00 175.10 174.14 2k70 s PRO 70 N 0.93 0.98 0.36 2.72 0.04 -1.26 -0.56 135.00 138.21 2k70 s PRO 70 Ca -0.08 0.75 -0.28 0.00 0.04 0.00 0.00 61.00 61.43 2k70 s PRO 70 Cb -0.11 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 2k70 s PRO 70 CO -0.03 -2.41 1.43 -0.35 0.04 0.00 0.00 177.00 175.68 2k70 n PRO 71 N -3.99 2.50 -0.77 0.56 -0.04 -1.25 -1.70 135.00 130.30 2k70 n PRO 71 Ca 0.06 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 2k70 n PRO 71 Cb 0.56 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2k70 n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k70 n LYS 72 N 0.53 -0.59 -2.10 0.54 4.76 -0.62 -4.97 118.16 115.71 2k70 n LYS 72 Ca 0.03 0.15 -0.28 0.00 -2.87 0.00 0.00 58.31 55.33 2k70 n LYS 72 Cb 0.38 -4.19 0.15 0.00 -1.84 0.00 0.00 35.03 29.53 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 -2.00 1.75 -0.19 0.72 0.00 -0.69 -4.78 107.32 102.14 2k70 s GLY 73 Ca 0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 44.72 43.36 2k70 s GLY 73 CO 0.00 -0.58 0.19 0.50 0.00 0.00 0.00 173.10 173.21 2k70 s ARG 74 N -5.64 4.21 -0.81 2.90 1.81 -1.26 -0.62 118.95 119.54 2k70 s ARG 74 Ca 0.70 -0.11 0.01 0.00 -1.72 0.00 0.00 55.73 54.61 2k70 s ARG 74 Cb -0.05 -3.42 0.34 0.00 -0.45 0.00 0.00 34.95 31.36 2k70 s ARG 74 CO 0.50 0.28 1.52 0.28 -0.68 0.00 0.00 175.30 177.19 2k70 n VAL 75 N 3.55 4.46 -3.80 3.52 0.31 0.73 -4.88 118.33 122.22 2k70 n VAL 75 Ca -0.15 -5.52 -0.35 0.00 -0.01 0.00 0.00 64.34 58.31 2k70 n VAL 75 Cb 0.52 -1.43 -0.09 0.00 -0.91 0.00 0.00 33.84 31.92 2k70 n VAL 75 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2k70 s GLU 76 N -3.96 4.04 0.22 5.55 -1.05 -1.24 -1.08 118.70 121.18 2k70 s GLU 76 Ca 0.45 -0.30 -0.04 0.00 -0.15 0.00 0.00 54.97 54.93 2k70 s GLU 76 Cb 0.27 -3.39 0.19 0.00 -0.44 0.00 0.00 34.13 30.77 2k70 s GLU 76 CO -0.18 0.18 1.63 -0.07 0.95 0.00 0.00 175.26 177.77 2k70 h LEU 77 N 7.07 0.77 -0.15 1.83 4.07 -1.39 -3.48 115.31 124.03 2k70 h LEU 77 Ca -0.38 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.30 2k70 h LEU 77 Cb 1.16 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.69 2k70 h LEU 77 CO 0.69 0.98 0.00 1.17 -1.08 0.00 0.00 178.44 180.20 2k70 n LYS 78 N -4.11 0.00 0.00 1.13 3.00 -1.24 -1.06 118.16 115.87 2k70 n LYS 78 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2k70 n LYS 78 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.47 2k70 n LYS 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2k70 n PRO 79 N 1.66 0.54 0.00 1.64 -0.04 -1.26 -2.92 135.00 134.61 2k70 n PRO 79 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2k70 n PRO 79 Cb 0.00 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.70 0.00 0.00 0.55 0.00 -1.26 -5.07 105.19 100.11 2k70 n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 3.05 -0.02 0.00 -1.15 -4.73 105.19 102.34 2k70 n GLY 81 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.96 0.19 0.04 1.61 1.51 -0.23 -0.13 117.35 119.38 2k70 s TYR 82 Ca 0.00 -0.42 -0.27 0.00 -1.01 0.00 0.00 57.07 55.37 2k70 s TYR 82 Cb 0.00 -0.14 0.09 0.00 -0.11 0.00 0.00 41.96 41.79 2k70 s TYR 82 CO 0.00 -0.26 0.75 -3.38 -1.11 0.00 0.00 175.55 171.54 2k70 s HIS 83 N -1.74 -0.48 0.24 2.71 -3.43 0.09 -3.67 115.29 109.01 2k70 s HIS 83 Ca -0.13 0.46 -0.30 0.00 -0.80 0.00 0.00 55.06 54.29 2k70 s HIS 83 Cb -0.07 0.52 -0.09 0.00 -1.43 0.00 0.00 32.58 31.51 2k70 s HIS 83 CO -0.01 -0.66 0.99 -0.06 -2.00 0.00 0.00 174.74 173.00 2k70 s PHE 84 N -2.85 3.86 -0.10 0.38 0.08 -1.01 -0.91 117.98 117.44 2k70 s PHE 84 Ca -0.00 1.85 -0.18 0.00 0.12 0.00 0.00 56.93 58.72 2k70 s PHE 84 Cb -0.01 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 2k70 s PHE 84 CO -0.06 0.16 0.48 1.41 -0.10 0.00 0.00 175.22 177.11 2k70 s MET 85 N -1.15 4.31 0.00 0.44 1.75 0.59 -0.61 119.30 124.63 2k70 s MET 85 Ca 0.42 0.47 0.05 0.00 -1.25 0.00 0.00 55.69 55.38 2k70 s MET 85 Cb -0.27 -3.42 -0.03 0.00 2.84 0.00 0.00 34.83 33.95 2k70 s MET 85 CO 0.34 0.21 -0.13 -0.51 -0.65 0.00 0.00 175.02 174.28 2k70 s LEU 86 N 0.45 2.85 -0.00 4.11 1.02 0.18 -0.74 118.68 126.55 2k70 s LEU 86 Ca 0.26 -0.25 0.01 0.00 0.02 0.00 0.00 54.13 54.16 2k70 s LEU 86 Cb -0.15 -1.64 -0.00 0.00 0.02 0.00 0.00 46.19 44.42 2k70 s LEU 86 CO 0.11 0.29 -0.02 -0.76 0.02 0.00 0.00 176.35 175.99 2k70 s LEU 87 N -1.22 1.95 -0.31 1.79 1.43 -0.07 -0.55 118.68 121.70 2k70 s LEU 87 Ca 0.15 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2k70 s LEU 87 Cb -0.11 -0.14 0.00 0.00 0.03 0.00 0.00 46.19 45.97 2k70 s LEU 87 CO 0.05 0.02 0.23 0.61 0.23 0.00 0.00 176.35 177.49 2k70 n GLY 88 N 3.08 0.57 3.42 -3.19 0.00 -0.56 -0.44 105.19 108.07 2k70 n GLY 88 Ca -0.13 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2k70 n GLY 88 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k70 n LEU 89 N -1.40 -0.17 -0.00 0.99 -0.00 -1.23 -3.29 117.00 111.89 2k70 n LEU 89 Ca -0.00 0.68 0.02 0.00 -0.00 0.00 0.00 56.01 56.71 2k70 n LEU 89 Cb 0.52 -1.11 -0.03 0.00 -0.00 0.00 0.00 43.42 42.80 2k70 n LEU 89 CO 0.13 -3.45 -0.19 0.29 -0.00 0.00 0.00 177.39 174.18 2k70 n LYS 90 N 0.17 3.75 -4.41 1.47 4.76 -1.26 -4.90 118.16 117.75 2k70 n LYS 90 Ca 0.10 -0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.26 2k70 n LYS 90 Cb 0.48 -0.84 -0.12 0.00 -1.84 0.00 0.00 35.03 32.71 2k70 n LYS 90 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2k70 s ARG 91 N -1.72 1.56 0.52 1.97 0.52 -1.26 -5.01 118.95 115.53 2k70 s ARG 91 Ca 0.01 -1.51 -0.20 0.00 -0.52 0.00 0.00 55.73 53.50 2k70 s ARG 91 Cb 0.03 -1.87 -0.07 0.00 0.52 0.00 0.00 34.95 33.57 2k70 s ARG 91 CO 0.19 0.40 1.12 -1.25 0.02 0.00 0.00 175.30 175.78 2k70 s PRO 92 N -2.69 3.51 -0.35 3.54 0.04 -1.26 -5.01 135.00 132.79 2k70 s PRO 92 Ca 0.21 1.60 -0.21 0.00 0.04 0.00 0.00 61.00 62.64 2k70 s PRO 92 Cb -0.08 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2k70 s PRO 92 CO 0.10 -0.72 0.69 -0.51 0.04 0.00 0.00 177.00 176.60 2k70 s LEU 93 N -3.59 4.20 0.44 -3.56 1.43 -1.26 -5.01 118.68 111.32 2k70 s LEU 93 Ca 0.70 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 2k70 s LEU 93 Cb -0.23 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 2k70 s LEU 93 CO 0.27 -0.62 0.11 -0.54 0.23 0.00 0.00 176.35 175.80 2k70 s LYS 94 N 2.82 2.13 0.19 1.70 1.02 -1.26 -4.75 119.74 121.60 2k70 s LYS 94 Ca 0.27 -2.04 -0.30 0.00 0.02 0.00 0.00 55.97 53.92 2k70 s LYS 94 Cb -0.14 -1.80 -0.08 0.00 -0.52 0.00 0.00 37.83 35.29 2k70 s LYS 94 CO 0.15 -0.17 1.06 0.00 -0.92 0.00 0.00 175.35 175.47 2k70 s ALA 95 N -2.70 3.36 -0.06 5.17 0.00 -1.26 -4.36 121.76 121.91 2k70 s ALA 95 Ca 0.33 0.77 -0.00 0.00 0.00 0.00 0.00 51.96 53.06 2k70 s ALA 95 Cb 0.05 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2k70 s ALA 95 CO 0.18 -0.13 0.05 0.41 0.00 0.00 0.00 175.76 176.27 2k70 n GLY 96 N 1.88 0.64 3.87 0.00 0.00 -1.18 -5.06 105.19 105.33 2k70 n GLY 96 Ca 0.01 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 2k70 n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k70 s GLU 97 N -4.54 2.25 -0.09 1.61 2.02 -1.25 -5.01 118.70 113.69 2k70 s GLU 97 Ca 0.01 -2.05 -0.06 0.00 0.02 0.00 0.00 54.97 52.88 2k70 s GLU 97 Cb -0.01 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.25 2k70 s GLU 97 CO 0.03 -0.53 0.23 -1.83 0.02 0.00 0.00 175.26 173.19 2k70 s GLU 98 N -4.19 0.23 -0.01 1.61 -1.05 -1.26 -0.20 118.70 113.83 2k70 s GLU 98 Ca 0.30 0.42 0.00 0.00 -0.15 0.00 0.00 54.97 55.55 2k70 s GLU 98 Cb -0.01 -0.00 0.01 0.00 -0.44 0.00 0.00 34.13 33.69 2k70 s GLU 98 CO 0.18 -0.10 0.01 0.08 0.95 0.00 0.00 175.26 176.38 2k70 s VAL 99 N 0.71 0.03 0.27 1.83 1.01 0.67 -4.91 120.40 120.01 2k70 s VAL 99 Ca -0.05 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 2k70 s VAL 99 Cb -0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 36.38 36.15 2k70 s VAL 99 CO -0.04 0.05 0.79 -1.83 0.00 0.00 0.00 175.10 174.07 2k70 s GLU 100 N 0.41 4.28 0.08 2.72 -1.05 -1.26 -1.07 118.70 122.80 2k70 s GLU 100 Ca -0.03 0.95 0.09 0.00 -0.15 0.00 0.00 54.97 55.83 2k70 s GLU 100 Cb -0.05 -2.74 -0.03 0.00 -0.44 0.00 0.00 34.13 30.86 2k70 s GLU 100 CO -0.01 0.30 -0.24 -0.51 0.95 0.00 0.00 175.26 175.75 2k70 s LEU 101 N -2.24 2.23 -0.26 1.83 1.02 0.12 -4.21 118.68 117.17 2k70 s LEU 101 Ca 0.48 -0.63 0.01 0.00 0.02 0.00 0.00 54.13 54.00 2k70 s LEU 101 Cb -0.15 -1.14 0.05 0.00 0.02 0.00 0.00 46.19 44.96 2k70 s LEU 101 CO 0.20 0.19 -0.08 -1.81 0.02 0.00 0.00 176.35 174.87 2k70 s ASP 102 N -1.55 4.43 0.19 2.29 1.01 -0.16 -0.88 116.67 122.00 2k70 s ASP 102 Ca 0.11 -1.22 -0.26 0.00 0.71 0.00 0.00 52.55 51.88 2k70 s ASP 102 Cb -0.10 -1.60 -0.08 0.00 1.01 0.00 0.00 42.92 42.15 2k70 s ASP 102 CO 0.03 -0.18 0.82 -0.76 0.21 0.00 0.00 175.17 175.29 2k70 s LEU 103 N 1.19 4.60 -0.38 1.23 1.02 0.17 -0.58 118.68 125.94 2k70 s LEU 103 Ca -0.05 1.72 -0.10 0.00 0.02 0.00 0.00 54.13 55.71 2k70 s LEU 103 Cb -0.19 -3.40 0.04 0.00 0.02 0.00 0.00 46.19 42.66 2k70 s LEU 103 CO -0.05 0.19 0.20 -0.76 0.02 0.00 0.00 176.35 175.96 2k70 s LEU 104 N -1.20 4.75 0.11 1.79 1.43 -0.08 -1.61 118.68 123.87 2k70 s LEU 104 Ca 0.38 -1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 2k70 s LEU 104 Cb -0.24 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 2k70 s LEU 104 CO 0.28 -0.40 0.31 -0.36 0.23 0.00 0.00 176.35 176.40 2k70 s PHE 105 N 1.52 3.49 0.05 0.29 0.08 0.24 -0.41 117.98 123.24 2k70 s PHE 105 Ca 0.02 0.40 -0.35 0.00 0.12 0.00 0.00 56.93 57.11 2k70 s PHE 105 Cb -0.20 -1.88 -0.14 0.00 -0.57 0.00 0.00 43.02 40.23 2k70 s PHE 105 CO 0.06 0.50 1.63 0.00 -0.10 0.00 0.00 175.22 177.30 2k70 n ALA 106 N 0.09 0.70 -2.16 5.36 0.00 -0.21 -1.60 120.51 122.69 2k70 n ALA 106 Ca -0.04 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.80 2k70 n ALA 106 Cb 0.52 -2.33 0.01 0.00 0.00 0.00 0.00 19.45 17.64 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 3.58 0.42 2.04 0.00 0.00 -1.26 -4.49 105.19 105.48 2k70 n GLY 107 Ca 0.19 -0.45 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.97 0.47 3.44 -0.02 0.00 -1.15 -4.99 105.19 101.98 2k70 n GLY 108 Ca -0.02 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.50 3.13 -0.00 1.61 1.02 -0.63 -4.94 119.74 119.42 2k70 s LYS 109 Ca 0.00 -0.91 -0.15 0.00 0.02 0.00 0.00 55.97 54.93 2k70 s LYS 109 Cb 0.00 -4.16 -0.06 0.00 -0.52 0.00 0.00 37.83 33.09 2k70 s LYS 109 CO 0.00 -1.46 0.41 0.54 -0.92 0.00 0.00 175.35 173.93 2k70 s VAL 110 N 3.09 5.03 -0.05 3.17 0.11 -1.26 -0.59 120.40 129.90 2k70 s VAL 110 Ca 0.17 0.85 -0.01 0.00 -2.93 0.00 0.00 61.98 60.07 2k70 s VAL 110 Cb -0.19 -3.72 0.03 0.00 -1.53 0.00 0.00 36.38 30.97 2k70 s VAL 110 CO 0.11 0.57 0.02 -0.22 -3.33 0.00 0.00 175.10 172.24 2k70 s LEU 111 N -0.99 0.65 -0.11 2.54 1.98 -0.63 -4.95 118.68 117.17 2k70 s LEU 111 Ca 0.24 -0.02 -0.20 0.00 -2.89 0.00 0.00 54.13 51.26 2k70 s LEU 111 Cb -0.17 -0.28 -0.04 0.00 0.66 0.00 0.00 46.19 46.37 2k70 s LEU 111 CO 0.13 -0.18 0.56 -0.75 -1.89 0.00 0.00 176.35 174.23 2k70 s LYS 112 N 1.70 4.36 0.01 1.98 2.47 -1.26 -0.65 119.74 128.35 2k70 s LYS 112 Ca -0.00 0.61 0.01 0.00 -1.56 0.00 0.00 55.97 55.03 2k70 s LYS 112 Cb -0.13 -3.45 -0.01 0.00 -1.46 0.00 0.00 37.83 32.78 2k70 s LYS 112 CO -0.03 0.10 -0.03 0.14 0.16 0.00 0.00 175.35 175.68 2k70 s VAL 113 N 0.78 0.23 -0.10 4.02 -7.23 -0.06 -5.01 120.40 113.04 2k70 s VAL 113 Ca 0.30 -0.45 0.01 0.00 -1.81 0.00 0.00 61.98 60.03 2k70 s VAL 113 Cb -0.16 -0.27 -0.02 0.00 0.56 0.00 0.00 36.38 36.49 2k70 s VAL 113 CO 0.13 -0.15 -0.11 0.54 -0.31 0.00 0.00 175.10 175.20 2k70 s VAL 114 N -0.60 3.29 0.02 1.32 0.11 -1.26 -0.71 120.40 122.57 2k70 s VAL 114 Ca -0.05 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 2k70 s VAL 114 Cb -0.05 -2.35 -0.02 0.00 -1.53 0.00 0.00 36.38 32.43 2k70 s VAL 114 CO -0.00 0.55 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.52 2k70 s LEU 115 N -0.19 2.21 0.65 2.54 1.02 -0.23 -4.97 118.68 119.71 2k70 s LEU 115 Ca 0.01 -0.45 -0.16 0.00 0.02 0.00 0.00 54.13 53.55 2k70 s LEU 115 Cb -0.13 0.01 -0.00 0.00 0.02 0.00 0.00 46.19 46.09 2k70 s LEU 115 CO 0.03 -0.24 1.16 -2.16 0.02 0.00 0.00 176.35 175.16 2k70 s PRO 116 N -1.30 2.70 -0.25 1.29 0.04 -1.26 -0.24 135.00 135.98 2k70 s PRO 116 Ca -0.12 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.37 2k70 s PRO 116 Cb -0.09 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2k70 s PRO 116 CO -0.01 -1.37 0.43 0.08 0.04 0.00 0.00 177.00 176.17 2k70 s VAL 117 N -2.01 5.14 0.20 -0.36 1.01 0.72 -0.88 120.40 124.21 2k70 s VAL 117 Ca 0.72 0.70 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 2k70 s VAL 117 Cb -0.25 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.39 2k70 s VAL 117 CO 0.39 0.15 0.47 -1.61 0.00 0.00 0.00 175.10 174.50 2k70 s GLU 118 N 2.01 1.36 0.54 2.72 0.41 0.08 -3.11 118.70 122.73 2k70 s GLU 118 Ca 0.18 -0.99 -0.15 0.00 -0.41 0.00 0.00 54.97 53.59 2k70 s GLU 118 Cb -0.16 0.48 -0.07 0.00 -1.78 0.00 0.00 34.13 32.61 2k70 s GLU 118 CO 0.09 -0.56 1.00 0.00 -0.49 0.00 0.00 175.26 175.30 2k70 s ALA 119 N -3.91 3.03 0.00 5.21 0.00 -1.26 -0.80 121.76 124.02 2k70 s ALA 119 Ca 0.13 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2k70 s ALA 119 Cb -0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2k70 s ALA 119 CO -0.00 -0.39 0.00 2.89 0.00 0.00 0.00 175.76 178.26