#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 -0.18 0.31 1.61 1.04 -1.26 -5.19 113.70 110.03 2k70 s SER 2 Ca 0.00 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.25 2k70 s SER 2 Cb 0.00 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 2k70 s SER 2 CO 0.00 -0.60 0.05 2.22 0.98 0.00 0.00 173.24 175.88 2k70 n PHE 3 N -0.38 0.47 -3.71 5.02 1.16 -1.26 -5.09 117.46 113.67 2k70 n PHE 3 Ca -0.06 -1.73 -0.13 0.00 -1.87 0.00 0.00 57.45 53.66 2k70 n PHE 3 Cb 0.61 -0.12 -0.10 0.00 -1.61 0.00 0.00 39.48 38.26 2k70 n PHE 3 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2k70 s THR 4 N -2.40 -0.00 0.83 1.97 -4.23 -1.26 -5.18 115.64 105.36 2k70 s THR 4 Ca 0.07 0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 2k70 s THR 4 Cb 0.00 -0.66 0.09 0.00 1.34 0.00 0.00 72.50 73.28 2k70 s THR 4 CO 0.05 0.01 1.16 -1.61 -0.54 0.00 0.00 174.62 173.69 2k70 s GLU 5 N 0.51 1.83 0.48 3.99 8.01 -1.26 -4.84 118.70 127.43 2k70 s GLU 5 Ca -0.02 0.18 0.07 0.00 0.01 0.00 0.00 54.97 55.21 2k70 s GLU 5 Cb -0.04 -1.93 0.07 0.00 -4.31 0.00 0.00 34.13 27.92 2k70 s GLU 5 CO -0.03 -1.70 0.60 0.41 0.01 0.00 0.00 175.26 174.55 2k70 n GLY 6 N -3.03 2.15 3.52 -1.39 0.00 -1.26 -4.80 105.19 100.38 2k70 n GLY 6 Ca 0.08 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.11 -0.11 -0.06 1.61 -2.14 -0.61 -4.05 118.94 111.46 2k70 s TRP 7 Ca 0.46 -0.23 -0.01 0.00 2.66 0.00 0.00 56.10 58.98 2k70 s TRP 7 Cb -0.04 0.39 -0.03 0.00 -3.10 0.00 0.00 33.47 30.69 2k70 s TRP 7 CO 0.29 -0.92 0.01 0.08 -2.66 0.00 0.00 176.95 173.75 2k70 s VAL 8 N -3.88 4.32 -1.84 -0.66 1.01 0.90 -0.59 120.40 119.67 2k70 s VAL 8 Ca 0.09 -0.32 0.23 0.00 0.00 0.00 0.00 61.98 61.98 2k70 s VAL 8 Cb -0.01 -2.85 0.59 0.00 0.00 0.00 0.00 36.38 34.11 2k70 s VAL 8 CO -0.03 0.55 1.76 -1.14 0.00 0.00 0.00 175.10 176.24 2k70 n ARG 9 N 1.93 0.61 -1.17 2.72 0.63 -0.88 -1.33 116.66 119.18 2k70 n ARG 9 Ca -0.17 0.02 0.15 0.00 -0.92 0.00 0.00 57.85 56.93 2k70 n ARG 9 Cb 0.53 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 31.89 2k70 n ARG 9 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2k70 n PHE 10 N -1.08 -3.02 -3.48 -0.14 -0.00 -1.18 -4.19 117.46 104.37 2k70 n PHE 10 Ca 0.16 1.56 -0.15 0.00 -0.00 0.00 0.00 57.45 59.02 2k70 n PHE 10 Cb 0.11 -2.74 -0.04 0.00 -0.00 0.00 0.00 39.48 36.80 2k70 n PHE 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2k70 s SER 11 N -6.66 -0.61 0.00 -2.13 0.15 -1.26 -4.70 113.70 98.49 2k70 s SER 11 Ca 0.00 0.39 0.29 0.00 0.70 0.00 0.00 55.95 57.33 2k70 s SER 11 Cb 0.00 0.56 1.25 0.00 -1.71 0.00 0.00 66.02 66.12 2k70 s SER 11 CO 0.00 -0.76 1.87 -0.81 1.20 0.00 0.00 173.24 174.73 2k70 n PRO 12 N 0.33 0.88 -2.87 5.44 -0.04 -1.26 -4.56 135.00 132.91 2k70 n PRO 12 Ca -0.18 -0.33 -0.09 0.00 -0.04 0.00 0.00 63.50 62.86 2k70 n PRO 12 Cb 0.61 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 2k70 n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k70 n GLY 13 N 1.23 3.76 0.22 0.55 0.00 -1.26 -5.07 105.19 104.63 2k70 n GLY 13 Ca 0.16 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.38 2k70 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k70 h PRO 14 N 0.00 0.00 -5.97 1.61 0.13 -1.95 -3.45 132.00 122.37 2k70 h PRO 14 Ca -0.11 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.35 2k70 h PRO 14 Cb 0.45 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.47 2k70 h PRO 14 CO 0.18 0.00 -0.58 0.54 -0.23 0.00 0.00 178.00 177.90 2k70 s ASN 15 N -5.56 5.61 0.34 1.44 4.22 -1.26 -0.70 114.94 119.02 2k70 s ASN 15 Ca 0.04 0.17 -0.07 0.00 -2.14 0.00 0.00 52.86 50.87 2k70 s ASN 15 Cb 0.08 -1.62 0.03 0.00 1.28 0.00 0.00 41.25 41.02 2k70 s ASN 15 CO 0.57 0.31 0.56 0.00 -2.04 0.00 0.00 177.10 176.51 2k70 n ALA 16 N 1.52 -0.88 -3.42 3.54 0.00 0.09 -4.77 120.51 116.59 2k70 n ALA 16 Ca -0.15 -1.34 -0.13 0.00 0.00 0.00 0.00 53.44 51.82 2k70 n ALA 16 Cb 0.53 1.07 -0.14 0.00 0.00 0.00 0.00 19.45 20.92 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 -2.37 -0.27 -0.04 0.00 0.00 -1.26 -1.39 121.76 116.44 2k70 s ALA 17 Ca 0.21 0.52 0.07 0.00 0.00 0.00 0.00 51.96 52.77 2k70 s ALA 17 Cb -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2k70 s ALA 17 CO 0.15 -0.11 -0.25 0.00 0.00 0.00 0.00 175.76 175.55 2k70 s ALA 18 N 0.69 2.18 -0.68 0.00 0.00 0.49 -2.08 121.76 122.36 2k70 s ALA 18 Ca -0.05 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.86 2k70 s ALA 18 Cb -0.07 -0.61 0.30 0.00 0.00 0.00 0.00 23.12 22.74 2k70 s ALA 18 CO -0.03 0.48 0.99 0.66 0.00 0.00 0.00 175.76 177.86 2k70 n TYR 19 N 2.65 3.67 -1.77 0.00 4.01 0.24 -1.78 117.16 124.18 2k70 n TYR 19 Ca -0.17 -3.83 -0.33 0.00 -0.16 0.00 0.00 57.90 53.42 2k70 n TYR 19 Cb 0.51 -0.63 0.04 0.00 -0.31 0.00 0.00 39.34 38.95 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 -3.13 3.37 0.14 7.72 0.05 -1.23 -1.58 118.68 124.02 2k70 s LEU 20 Ca 0.43 1.91 -0.10 0.00 0.05 0.00 0.00 54.13 56.42 2k70 s LEU 20 Cb 0.21 -4.54 -0.06 0.00 -2.05 0.00 0.00 46.19 39.74 2k70 s LEU 20 CO -0.07 -1.54 0.47 -0.89 -0.55 0.00 0.00 176.35 173.77 2k70 s THR 21 N -2.47 5.01 -0.17 5.48 2.01 -1.26 -0.64 115.64 123.60 2k70 s THR 21 Ca 0.65 0.47 -0.01 0.00 0.31 0.00 0.00 61.69 63.11 2k70 s THR 21 Cb -0.19 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.72 2k70 s THR 21 CO 0.43 0.14 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.25 2k70 s LEU 22 N -2.29 1.47 -0.27 4.42 2.96 0.23 -4.93 118.68 120.27 2k70 s LEU 22 Ca 0.39 -0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 53.51 2k70 s LEU 22 Cb -0.13 -0.80 -0.05 0.00 0.50 0.00 0.00 46.19 45.71 2k70 s LEU 22 CO 0.20 -0.22 0.23 -1.61 -1.32 0.00 0.00 176.35 173.64 2k70 s GLU 23 N 1.71 4.00 -0.52 1.98 8.01 -1.26 -0.46 118.70 132.16 2k70 s GLU 23 Ca 0.00 -0.21 -0.18 0.00 0.01 0.00 0.00 54.97 54.60 2k70 s GLU 23 Cb -0.16 -3.63 0.07 0.00 -4.31 0.00 0.00 34.13 26.11 2k70 s GLU 23 CO -0.07 -0.14 0.59 1.21 0.01 0.00 0.00 175.26 176.86 2k70 s ASN 24 N 1.55 6.20 0.01 -0.19 2.47 -0.32 -4.92 114.94 119.73 2k70 s ASN 24 Ca 0.09 -1.13 0.28 0.00 0.42 0.00 0.00 52.86 52.52 2k70 s ASN 24 Cb -0.15 -2.27 1.00 0.00 -1.45 0.00 0.00 41.25 38.37 2k70 s ASN 24 CO 0.09 -0.89 1.76 -0.81 -3.72 0.00 0.00 177.10 173.53 2k70 n PRO 25 N 5.98 0.01 -1.88 0.43 -0.04 -1.26 -2.12 135.00 136.12 2k70 n PRO 25 Ca -0.09 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 2k70 n PRO 25 Cb 0.44 -1.51 0.11 0.00 -0.04 0.00 0.00 33.50 32.50 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 -3.02 1.62 0.00 0.55 0.00 -1.26 -4.60 107.32 100.61 2k70 s GLY 26 Ca 0.13 -0.74 0.23 0.00 0.00 0.00 0.00 44.72 44.34 2k70 s GLY 26 CO 0.59 -0.19 1.17 1.22 0.00 0.00 0.00 173.10 175.88 2k70 n ASP 27 N -3.43 1.55 -4.56 1.64 9.92 -1.26 -1.62 116.55 118.79 2k70 n ASP 27 Ca 0.09 -1.22 -0.24 0.00 -0.53 0.00 0.00 54.79 52.89 2k70 n ASP 27 Cb 0.61 0.49 -0.09 0.00 -0.64 0.00 0.00 41.12 41.48 2k70 n ASP 27 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k70 s LEU 28 N -2.61 2.83 0.46 0.64 1.43 -1.26 -4.81 118.68 115.37 2k70 s LEU 28 Ca 0.17 -1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 52.11 2k70 s LEU 28 Cb 0.18 -1.25 -0.08 0.00 0.03 0.00 0.00 46.19 45.07 2k70 s LEU 28 CO 0.62 -0.11 0.92 -2.16 0.23 0.00 0.00 176.35 175.86 2k70 s PRO 29 N -3.62 3.98 0.16 1.29 0.04 -1.26 -3.97 135.00 131.62 2k70 s PRO 29 Ca 0.32 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.28 2k70 s PRO 29 Cb -0.02 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2k70 s PRO 29 CO 0.17 -0.15 0.23 -0.51 0.04 0.00 0.00 177.00 176.78 2k70 s LEU 30 N -3.76 4.12 -0.06 -3.56 1.43 0.03 -4.94 118.68 111.94 2k70 s LEU 30 Ca 0.58 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2k70 s LEU 30 Cb -0.10 -2.71 0.03 0.00 0.03 0.00 0.00 46.19 43.45 2k70 s LEU 30 CO 0.26 0.06 0.07 -0.60 0.23 0.00 0.00 176.35 176.37 2k70 s ARG 31 N -3.20 -0.06 -0.42 1.70 3.52 -1.26 -0.03 118.95 119.20 2k70 s ARG 31 Ca 0.33 0.34 -0.15 0.00 -0.13 0.00 0.00 55.73 56.13 2k70 s ARG 31 Cb -0.11 -0.64 0.03 0.00 -1.56 0.00 0.00 34.95 32.68 2k70 s ARG 31 CO 0.26 -0.37 0.31 -1.17 -0.81 0.00 0.00 175.30 173.53 2k70 s LEU 32 N 2.18 5.20 -0.02 -0.88 2.96 0.43 -0.64 118.68 127.91 2k70 s LEU 32 Ca 0.05 -1.02 0.17 0.00 -0.22 0.00 0.00 54.13 53.11 2k70 s LEU 32 Cb -0.12 -2.15 -0.25 0.00 0.50 0.00 0.00 46.19 44.17 2k70 s LEU 32 CO -0.04 -0.49 0.45 1.33 -1.32 0.00 0.00 176.35 176.28 2k70 n VAL 33 N 5.15 0.00 -3.80 1.68 0.24 0.04 -0.65 118.33 120.98 2k70 n VAL 33 Ca -0.11 -0.33 -0.10 0.00 -2.04 0.00 0.00 64.34 61.76 2k70 n VAL 33 Cb 0.46 0.30 0.01 0.00 -1.47 0.00 0.00 33.84 33.14 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 1.50 1.36 3.30 7.63 0.00 -0.96 -4.71 105.19 113.31 2k70 n GLY 34 Ca -0.02 -1.33 -0.18 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.18 1.66 0.38 4.61 0.00 -1.26 -1.16 121.76 123.81 2k70 s ALA 35 Ca 0.18 -1.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.04 2k70 s ALA 35 Cb -0.04 1.43 0.04 0.00 0.00 0.00 0.00 23.12 24.56 2k70 s ALA 35 CO 0.13 -0.67 0.72 1.03 0.00 0.00 0.00 175.76 176.97 2k70 s ARG 36 N -3.48 2.16 0.00 0.00 1.81 0.06 -4.81 118.95 114.69 2k70 s ARG 36 Ca 0.39 -1.50 0.00 0.00 -1.72 0.00 0.00 55.73 52.90 2k70 s ARG 36 Cb 0.03 0.59 0.00 0.00 -0.45 0.00 0.00 34.95 35.11 2k70 s ARG 36 CO 0.25 -0.99 0.00 -2.37 -0.68 0.00 0.00 175.30 171.51 2k70 n THR 37 N -0.54 0.00 0.30 0.02 5.66 -1.26 -0.79 114.28 117.67 2k70 n THR 37 Ca -0.06 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.99 2k70 n THR 37 Cb 0.60 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.61 2k70 n THR 37 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2k70 n PRO 38 N -0.14 0.02 -1.98 1.09 -0.04 -1.26 -3.12 135.00 129.58 2k70 n PRO 38 Ca 0.00 0.37 -0.26 0.00 -0.04 0.00 0.00 63.50 63.56 2k70 n PRO 38 Cb 0.00 -1.54 0.03 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.58 2.69 -3.70 0.52 0.24 -1.26 -4.56 118.33 110.68 2k70 n VAL 39 Ca 0.02 -4.13 -0.14 0.00 -2.04 0.00 0.00 64.34 58.05 2k70 n VAL 39 Cb 0.11 -1.16 -0.09 0.00 -1.47 0.00 0.00 33.84 31.23 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 -3.64 -1.12 -0.21 2.33 0.00 -1.18 -4.00 121.76 113.94 2k70 s ALA 40 Ca 0.53 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 53.31 2k70 s ALA 40 Cb 0.42 -0.35 -0.18 0.00 0.00 0.00 0.00 23.12 23.00 2k70 s ALA 40 CO -0.01 -0.26 0.07 -1.91 0.00 0.00 0.00 175.76 173.65 2k70 n GLU 41 N 2.00 0.61 -4.40 0.00 2.13 0.33 -4.75 120.64 116.56 2k70 n GLU 41 Ca -0.17 0.41 -0.24 0.00 0.66 0.00 0.00 57.16 57.82 2k70 n GLU 41 Cb 0.57 -1.66 -0.09 0.00 0.27 0.00 0.00 31.44 30.53 2k70 n GLU 41 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2k70 s ARG 42 N -2.45 1.95 -0.19 5.31 3.00 -0.41 -5.02 118.95 121.15 2k70 s ARG 42 Ca -0.31 -1.67 -0.16 0.00 0.00 0.00 0.00 55.73 53.59 2k70 s ARG 42 Cb 0.08 -1.92 0.05 0.00 0.00 0.00 0.00 34.95 33.17 2k70 s ARG 42 CO 0.60 0.29 0.49 0.54 0.00 0.00 0.00 175.30 177.22 2k70 s VAL 43 N -2.46 -0.00 0.03 3.52 0.11 -1.26 -1.47 120.40 118.86 2k70 s VAL 43 Ca 0.31 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.40 2k70 s VAL 43 Cb -0.04 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 2k70 s VAL 43 CO 0.17 0.00 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.25 2k70 s GLU 44 N 0.42 0.59 -0.27 1.54 2.02 -0.13 -4.98 118.70 117.89 2k70 s GLU 44 Ca -0.01 -0.56 -0.10 0.00 0.02 0.00 0.00 54.97 54.31 2k70 s GLU 44 Cb -0.04 -0.49 -0.05 0.00 0.10 0.00 0.00 34.13 33.65 2k70 s GLU 44 CO -0.01 0.12 0.16 -1.17 0.02 0.00 0.00 175.26 174.37 2k70 s LEU 45 N -0.97 3.90 0.18 1.80 2.96 -1.26 -0.67 118.68 124.61 2k70 s LEU 45 Ca -0.03 -0.05 0.09 0.00 -0.22 0.00 0.00 54.13 53.92 2k70 s LEU 45 Cb -0.07 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 2k70 s LEU 45 CO 0.00 -0.04 -0.20 -1.00 -1.32 0.00 0.00 176.35 173.80 2k70 s HIS 46 N 1.70 1.96 0.29 5.38 3.76 0.10 -0.59 115.29 127.89 2k70 s HIS 46 Ca 0.07 -0.44 0.06 0.00 -0.15 0.00 0.00 55.06 54.60 2k70 s HIS 46 Cb -0.16 -0.97 -0.02 0.00 1.11 0.00 0.00 32.58 32.55 2k70 s HIS 46 CO 0.09 0.40 0.42 -1.83 -0.85 0.00 0.00 174.74 172.97 2k70 s GLU 47 N -2.83 3.28 -0.04 1.40 -1.05 0.07 -0.78 118.70 118.74 2k70 s GLU 47 Ca 0.18 -0.89 0.06 0.00 -0.15 0.00 0.00 54.97 54.17 2k70 s GLU 47 Cb -0.06 -2.85 -0.01 0.00 -0.44 0.00 0.00 34.13 30.76 2k70 s GLU 47 CO 0.08 0.24 -0.23 0.99 0.95 0.00 0.00 175.26 177.29 2k70 s THR 48 N -2.08 1.89 0.34 1.83 2.01 -1.04 -2.22 115.64 116.36 2k70 s THR 48 Ca 0.40 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.45 2k70 s THR 48 Cb -0.09 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 2k70 s THR 48 CO 0.30 0.53 0.17 0.72 -0.69 0.00 0.00 174.62 175.65 2k70 s PHE 49 N -0.25 1.68 0.06 4.92 -0.12 -0.35 -4.48 117.98 119.45 2k70 s PHE 49 Ca 0.00 -1.39 0.08 0.00 -0.05 0.00 0.00 56.93 55.57 2k70 s PHE 49 Cb -0.12 -0.92 -0.03 0.00 -0.63 0.00 0.00 43.02 41.32 2k70 s PHE 49 CO 0.02 -0.51 -0.22 0.00 -0.05 0.00 0.00 175.22 174.45 2k70 s MET 50 N -3.72 1.41 -0.10 1.99 0.23 -1.26 -1.16 119.30 116.69 2k70 s MET 50 Ca 0.33 -1.04 -0.09 0.00 -1.03 0.00 0.00 55.69 53.87 2k70 s MET 50 Cb 0.04 -1.59 0.03 0.00 -1.53 0.00 0.00 34.83 31.78 2k70 s MET 50 CO 0.18 0.40 0.26 1.03 -2.03 0.00 0.00 175.02 174.86 2k70 s ARG 51 N -1.38 0.29 -0.25 3.16 1.81 0.30 -4.96 118.95 117.93 2k70 s ARG 51 Ca 0.08 0.38 -0.15 0.00 -1.72 0.00 0.00 55.73 54.32 2k70 s ARG 51 Cb -0.09 0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.49 2k70 s ARG 51 CO 0.03 -0.05 0.39 -2.00 -0.68 0.00 0.00 175.30 172.98 2k70 s GLU 52 N 0.26 4.07 0.00 3.54 2.56 -1.26 -0.88 118.70 127.00 2k70 s GLU 52 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.97 55.07 2k70 s GLU 52 Cb -0.03 -3.61 0.00 0.00 2.00 0.00 0.00 34.13 32.49 2k70 s GLU 52 CO -0.01 -0.19 0.00 1.33 -0.56 0.00 0.00 175.26 175.83 2k70 n VAL 53 N 4.84 0.00 0.00 3.70 0.24 -0.01 -4.79 118.33 122.31 2k70 n VAL 53 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2k70 n VAL 53 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2k70 n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k70 n GLU 54 N 0.00 0.00 -1.64 7.34 -0.58 -1.26 -4.23 120.64 120.27 2k70 n GLU 54 Ca 0.00 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 2k70 n GLU 54 Cb 0.00 -1.35 -0.06 0.00 -0.57 0.00 0.00 31.44 29.46 2k70 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k70 n GLY 55 N 1.64 1.21 3.32 0.62 0.00 -1.26 -5.01 105.19 105.71 2k70 n GLY 55 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.66 3.02 -0.01 1.61 -0.14 -1.26 -5.13 119.74 114.17 2k70 s LYS 56 Ca 0.00 -0.78 -0.25 0.00 -1.36 0.00 0.00 55.97 53.58 2k70 s LYS 56 Cb 0.00 -2.42 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 2k70 s LYS 56 CO 0.00 0.29 0.77 -1.59 -0.76 0.00 0.00 175.35 174.06 2k70 s LYS 57 N 0.11 4.48 0.02 1.68 0.00 -1.26 -0.83 119.74 123.94 2k70 s LYS 57 Ca -0.09 1.04 -0.01 0.00 0.00 0.00 0.00 55.97 56.91 2k70 s LYS 57 Cb -0.15 -3.42 -0.02 0.00 0.00 0.00 0.00 37.83 34.24 2k70 s LYS 57 CO 0.06 0.13 -0.01 0.54 0.00 0.00 0.00 175.35 176.07 2k70 s VAL 58 N 0.50 0.11 -0.09 1.79 0.11 -0.06 -4.98 120.40 117.79 2k70 s VAL 58 Ca 0.40 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 2k70 s VAL 58 Cb -0.19 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2k70 s VAL 58 CO 0.22 -0.51 -0.08 -0.04 -3.33 0.00 0.00 175.10 171.35 2k70 s MET 59 N -1.60 2.95 0.30 1.54 -1.94 -1.26 -0.54 119.30 118.75 2k70 s MET 59 Ca -0.14 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 53.27 2k70 s MET 59 Cb -0.09 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.13 2k70 s MET 59 CO -0.01 0.52 0.09 0.41 -0.01 0.00 0.00 175.02 176.02 2k70 n GLY 60 N 2.64 3.53 3.34 -0.03 0.00 -0.31 -4.98 105.19 109.38 2k70 n GLY 60 Ca -0.18 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.12 0.71 0.01 1.61 1.75 -1.26 -1.21 119.30 117.79 2k70 s MET 61 Ca 0.12 0.18 -0.24 0.00 -1.25 0.00 0.00 55.69 54.51 2k70 s MET 61 Cb 0.01 0.33 0.05 0.00 2.84 0.00 0.00 34.83 38.06 2k70 s MET 61 CO 0.09 -0.17 0.54 -0.98 -0.65 0.00 0.00 175.02 173.84 2k70 s ARG 62 N -0.77 1.00 0.57 4.11 1.70 -0.94 -5.01 118.95 119.60 2k70 s ARG 62 Ca -0.08 -0.09 -0.18 0.00 -0.47 0.00 0.00 55.73 54.91 2k70 s ARG 62 Cb -0.03 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.76 2k70 s ARG 62 CO 0.04 -0.34 1.08 -1.25 -1.08 0.00 0.00 175.30 173.76 2k70 s PRO 63 N -1.96 3.34 0.04 3.89 0.04 -1.26 -0.75 135.00 138.34 2k70 s PRO 63 Ca -0.08 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2k70 s PRO 63 Cb -0.01 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2k70 s PRO 63 CO 0.02 -0.82 -0.04 0.14 0.04 0.00 0.00 177.00 176.34 2k70 s VAL 64 N -2.13 0.26 -0.14 -0.36 -7.23 0.24 -4.78 120.40 106.26 2k70 s VAL 64 Ca 0.68 -1.27 0.15 0.00 -1.81 0.00 0.00 61.98 59.72 2k70 s VAL 64 Cb -0.19 -0.79 0.02 0.00 0.56 0.00 0.00 36.38 35.98 2k70 s VAL 64 CO 0.31 -0.65 1.34 1.55 -0.31 0.00 0.00 175.10 177.34 2k70 h PRO 65 N 4.07 0.00 -1.28 4.82 0.13 -1.94 -3.42 132.00 134.37 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 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 2k70 h PRO 65 CO 0.50 0.49 0.89 -0.59 -0.23 0.00 0.00 178.00 179.06 2k70 s PHE 66 N -2.95 -0.05 0.17 1.56 -0.71 -1.26 -4.69 117.98 110.04 2k70 s PHE 66 Ca 0.03 0.01 0.08 0.00 -1.04 0.00 0.00 56.93 56.00 2k70 s PHE 66 Cb 0.08 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.37 2k70 s PHE 66 CO 0.76 -0.15 -0.03 -0.51 -1.34 0.00 0.00 175.22 173.95 2k70 s LEU 67 N -2.51 3.21 0.05 -1.99 1.43 0.17 -4.98 118.68 114.06 2k70 s LEU 67 Ca 0.12 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 2k70 s LEU 67 Cb 0.02 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2k70 s LEU 67 CO -0.04 0.10 -0.04 -0.70 0.23 0.00 0.00 176.35 175.90 2k70 s GLU 68 N -2.82 2.51 -0.02 1.70 2.56 -1.26 -0.43 118.70 120.94 2k70 s GLU 68 Ca 0.26 -0.80 -0.00 0.00 0.00 0.00 0.00 54.97 54.43 2k70 s GLU 68 Cb -0.09 -2.50 0.03 0.00 2.00 0.00 0.00 34.13 33.56 2k70 s GLU 68 CO 0.17 0.57 0.03 0.08 -0.56 0.00 0.00 175.26 175.55 2k70 s VAL 69 N -1.15 -0.05 0.87 3.70 1.01 0.96 -4.95 120.40 120.78 2k70 s VAL 69 Ca 0.21 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 2k70 s VAL 69 Cb -0.11 -0.10 0.11 0.00 0.00 0.00 0.00 36.38 36.28 2k70 s VAL 69 CO 0.13 0.10 1.09 -2.16 0.00 0.00 0.00 175.10 174.26 2k70 s PRO 70 N 1.13 1.48 0.47 2.72 0.04 -1.26 -0.79 135.00 138.78 2k70 s PRO 70 Ca -0.08 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.49 2k70 s PRO 70 Cb -0.13 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 2k70 s PRO 70 CO -0.03 -2.08 1.41 -0.35 0.04 0.00 0.00 177.00 175.99 2k70 n PRO 71 N -3.76 2.12 -0.40 0.56 -0.04 -1.25 -2.84 135.00 129.38 2k70 n PRO 71 Ca 0.07 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 2k70 n PRO 71 Cb 0.55 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 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 -0.36 0.00 -2.91 0.54 4.76 -0.64 -4.98 118.16 114.58 2k70 n LYS 72 Ca 0.06 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.10 2k70 n LYS 72 Cb 0.42 -3.52 -0.05 0.00 -1.84 0.00 0.00 35.03 30.04 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 2.86 -0.09 0.72 0.00 -1.13 -4.82 107.32 102.85 2k70 s GLY 73 Ca 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 44.72 44.99 2k70 s GLY 73 CO 0.00 1.19 0.23 1.09 0.00 0.00 0.00 173.10 175.60 2k70 s ARG 74 N -0.09 3.66 -0.08 2.90 1.04 -1.26 -1.18 118.95 123.95 2k70 s ARG 74 Ca 0.41 0.03 -0.04 0.00 -1.04 0.00 0.00 55.73 55.09 2k70 s ARG 74 Cb -0.21 -3.22 0.04 0.00 -2.04 0.00 0.00 34.95 29.51 2k70 s ARG 74 CO 0.25 0.70 0.19 0.08 -0.04 0.00 0.00 175.30 176.48 2k70 s VAL 75 N -0.88 -0.04 -0.10 4.99 1.01 0.39 -5.00 120.40 120.77 2k70 s VAL 75 Ca 0.17 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 2k70 s VAL 75 Cb -0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2k70 s VAL 75 CO 0.06 0.05 -0.07 -1.61 0.00 0.00 0.00 175.10 173.54 2k70 s GLU 76 N 0.98 3.04 -1.13 2.72 8.01 -1.26 -0.60 118.70 130.45 2k70 s GLU 76 Ca -0.07 -0.56 -0.22 0.00 0.01 0.00 0.00 54.97 54.13 2k70 s GLU 76 Cb -0.09 -2.67 -0.08 0.00 -4.31 0.00 0.00 34.13 26.98 2k70 s GLU 76 CO -0.06 0.51 1.91 1.28 0.01 0.00 0.00 175.26 178.92 2k70 n LEU 77 N 2.68 3.52 -4.82 1.80 4.32 0.19 -4.89 117.00 119.80 2k70 n LEU 77 Ca -0.18 -3.23 -0.32 0.00 -0.02 0.00 0.00 56.01 52.26 2k70 n LEU 77 Cb 0.53 -1.63 0.01 0.00 -1.62 0.00 0.00 43.42 40.70 2k70 n LEU 77 CO 0.29 -1.31 0.71 -1.59 -1.22 0.00 0.00 177.39 174.27 2k70 s LYS 78 N 5.91 3.40 0.51 3.23 -2.85 -0.97 -3.58 119.74 125.39 2k70 s LYS 78 Ca 0.65 1.06 0.34 0.00 -1.00 0.00 0.00 55.97 57.02 2k70 s LYS 78 Cb 0.03 -2.05 1.66 0.00 -2.06 0.00 0.00 37.83 35.41 2k70 s LYS 78 CO 0.12 -0.74 2.03 -1.00 0.10 0.00 0.00 175.35 175.87 2k70 h PRO 79 N 0.25 0.00 -1.61 1.78 0.13 -1.92 -2.00 132.00 128.62 2k70 h PRO 79 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2k70 h PRO 79 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k70 h PRO 79 CO 0.58 0.00 0.01 0.41 -0.23 0.00 0.00 178.00 178.77 2k70 n GLY 80 N -0.60 2.34 0.00 1.56 0.00 -1.26 -4.90 105.19 102.34 2k70 n GLY 80 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.09 -0.13 3.77 -0.02 0.00 -0.76 -4.99 105.19 104.15 2k70 n GLY 81 Ca 0.01 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 3.30 0.26 1.61 2.02 -1.21 -2.51 117.35 120.81 2k70 s TYR 82 Ca 0.00 1.61 -0.21 0.00 -0.37 0.00 0.00 57.07 58.09 2k70 s TYR 82 Cb 0.00 -3.36 0.04 0.00 -0.40 0.00 0.00 41.96 38.24 2k70 s TYR 82 CO 0.00 -0.99 0.80 -3.38 -1.57 0.00 0.00 175.55 170.41 2k70 s HIS 83 N -1.30 -0.13 -0.14 2.71 -3.43 0.04 -2.29 115.29 110.75 2k70 s HIS 83 Ca 0.51 -0.32 -0.04 0.00 -0.80 0.00 0.00 55.06 54.41 2k70 s HIS 83 Cb -0.31 0.71 -0.03 0.00 -1.43 0.00 0.00 32.58 31.51 2k70 s HIS 83 CO 0.40 -1.16 -0.01 -0.06 -2.00 0.00 0.00 174.74 171.91 2k70 s PHE 84 N -3.51 3.11 -0.05 0.38 0.08 -0.74 -0.72 117.98 116.54 2k70 s PHE 84 Ca 0.12 -0.06 -0.28 0.00 0.12 0.00 0.00 56.93 56.84 2k70 s PHE 84 Cb -0.05 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 2k70 s PHE 84 CO 0.06 0.17 0.90 1.41 -0.10 0.00 0.00 175.22 177.67 2k70 s MET 85 N -0.06 4.48 -0.08 0.44 1.75 0.15 -0.38 119.30 125.60 2k70 s MET 85 Ca 0.03 1.24 0.03 0.00 -1.25 0.00 0.00 55.69 55.75 2k70 s MET 85 Cb -0.13 -3.48 -0.01 0.00 2.84 0.00 0.00 34.83 34.05 2k70 s MET 85 CO 0.02 -0.09 -0.18 -0.51 -0.65 0.00 0.00 175.02 173.61 2k70 s LEU 86 N 1.23 2.45 -0.03 4.11 1.02 -0.48 -0.96 118.68 126.02 2k70 s LEU 86 Ca 0.46 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 54.25 2k70 s LEU 86 Cb -0.19 -1.50 0.02 0.00 0.02 0.00 0.00 46.19 44.53 2k70 s LEU 86 CO 0.22 0.24 -0.04 -0.76 0.02 0.00 0.00 176.35 176.03 2k70 s LEU 87 N -0.10 1.51 -0.04 1.79 1.43 -0.55 -0.73 118.68 121.99 2k70 s LEU 87 Ca -0.03 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2k70 s LEU 87 Cb -0.14 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.73 2k70 s LEU 87 CO 0.04 -0.03 0.02 0.61 0.23 0.00 0.00 176.35 177.22 2k70 n GLY 88 N 3.72 0.72 3.36 -3.19 0.00 0.12 -0.52 105.19 109.41 2k70 n GLY 88 Ca -0.22 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.43 -1.34 -0.84 0.99 -0.00 -1.15 -3.33 117.00 110.90 2k70 n LEU 89 Ca -0.00 0.67 0.08 0.00 -0.00 0.00 0.00 56.01 56.76 2k70 n LEU 89 Cb 0.50 -1.02 0.18 0.00 -0.00 0.00 0.00 43.42 43.07 2k70 n LEU 89 CO 0.01 -3.90 0.63 0.29 -0.00 0.00 0.00 177.39 174.43 2k70 n LYS 90 N 0.65 2.36 -3.85 1.47 4.76 -1.26 -4.91 118.16 117.38 2k70 n LYS 90 Ca 0.09 -2.05 -0.12 0.00 -2.87 0.00 0.00 58.31 53.37 2k70 n LYS 90 Cb 0.48 -1.36 -0.10 0.00 -1.84 0.00 0.00 35.03 32.20 2k70 n LYS 90 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2k70 s ARG 91 N -1.09 0.44 0.54 1.97 1.70 -1.26 -5.03 118.95 116.22 2k70 s ARG 91 Ca 0.29 -0.22 -0.20 0.00 -0.47 0.00 0.00 55.73 55.13 2k70 s ARG 91 Cb 0.16 0.19 -0.06 0.00 -0.57 0.00 0.00 34.95 34.67 2k70 s ARG 91 CO 0.22 -0.10 1.15 -1.25 -1.08 0.00 0.00 175.30 174.23 2k70 s PRO 92 N -1.03 3.34 -0.06 3.89 0.04 -1.26 -5.04 135.00 134.88 2k70 s PRO 92 Ca -0.11 1.66 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 2k70 s PRO 92 Cb -0.06 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.47 2k70 s PRO 92 CO 0.02 -0.87 0.14 -0.48 0.04 0.00 0.00 177.00 175.85 2k70 s LEU 93 N -3.76 1.06 0.45 -3.56 2.34 -1.26 -5.15 118.68 108.79 2k70 s LEU 93 Ca 0.73 0.29 0.08 0.00 0.06 0.00 0.00 54.13 55.29 2k70 s LEU 93 Cb -0.25 0.42 0.01 0.00 -0.56 0.00 0.00 46.19 45.81 2k70 s LEU 93 CO 0.29 -0.10 0.52 -0.54 -1.06 0.00 0.00 176.35 175.45 2k70 s LYS 94 N 0.68 2.59 0.19 1.48 -0.14 -1.26 -4.60 119.74 118.67 2k70 s LYS 94 Ca -0.05 -1.47 -0.30 0.00 -1.36 0.00 0.00 55.97 52.79 2k70 s LYS 94 Cb -0.07 -2.55 -0.08 0.00 -1.68 0.00 0.00 37.83 33.45 2k70 s LYS 94 CO -0.03 -0.36 1.24 0.00 -0.76 0.00 0.00 175.35 175.44 2k70 s ALA 95 N -2.48 3.47 0.00 5.17 0.00 -1.26 -3.99 121.76 122.67 2k70 s ALA 95 Ca 0.52 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2k70 s ALA 95 Cb -0.06 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2k70 s ALA 95 CO 0.31 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2k70 n GLY 96 N 2.29 1.12 1.97 0.00 0.00 -0.00 -4.97 105.19 105.60 2k70 n GLY 96 Ca 0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.88 0.96 -3.73 1.61 1.02 -1.18 -4.95 120.64 112.50 2k70 n GLU 97 Ca 0.00 -1.69 -0.12 0.00 -0.02 0.00 0.00 57.16 55.33 2k70 n GLU 97 Cb 0.01 0.06 -0.12 0.00 -0.02 0.00 0.00 31.44 31.36 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 -3.23 0.25 -0.03 3.49 0.41 -1.26 -0.03 118.70 118.30 2k70 s GLU 98 Ca 0.22 0.54 -0.00 0.00 -0.41 0.00 0.00 54.97 55.32 2k70 s GLU 98 Cb -0.02 -0.06 0.03 0.00 -1.78 0.00 0.00 34.13 32.30 2k70 s GLU 98 CO 0.14 -0.14 0.05 0.08 -0.49 0.00 0.00 175.26 174.89 2k70 s VAL 99 N 1.10 -0.06 0.30 2.63 1.01 -0.42 -4.90 120.40 120.06 2k70 s VAL 99 Ca -0.08 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 2k70 s VAL 99 Cb -0.09 -0.10 -0.09 0.00 0.00 0.00 0.00 36.38 36.10 2k70 s VAL 99 CO -0.08 0.08 1.04 -1.61 0.00 0.00 0.00 175.10 174.54 2k70 s GLU 100 N 1.04 4.57 -0.03 2.72 2.02 -1.26 -1.37 118.70 126.39 2k70 s GLU 100 Ca -0.09 1.64 0.04 0.00 0.02 0.00 0.00 54.97 56.59 2k70 s GLU 100 Cb -0.12 -3.03 -0.00 0.00 0.10 0.00 0.00 34.13 31.07 2k70 s GLU 100 CO -0.03 0.20 -0.15 -0.51 0.02 0.00 0.00 175.26 174.79 2k70 s LEU 101 N -1.70 1.92 -0.04 1.80 1.02 -0.23 -4.49 118.68 116.96 2k70 s LEU 101 Ca 0.47 -0.29 -0.19 0.00 0.02 0.00 0.00 54.13 54.15 2k70 s LEU 101 Cb -0.28 -0.82 -0.05 0.00 0.02 0.00 0.00 46.19 45.07 2k70 s LEU 101 CO 0.35 0.14 0.52 -1.81 0.02 0.00 0.00 176.35 175.57 2k70 s ASP 102 N -0.04 6.84 -0.28 2.29 1.01 0.03 0.25 116.67 126.77 2k70 s ASP 102 Ca -0.01 1.00 -0.09 0.00 0.71 0.00 0.00 52.55 54.17 2k70 s ASP 102 Cb -0.09 -2.31 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 2k70 s ASP 102 CO 0.01 0.11 0.12 -0.76 0.21 0.00 0.00 175.17 174.86 2k70 s LEU 103 N -0.08 3.80 -0.59 1.23 1.02 0.33 -0.76 118.68 123.63 2k70 s LEU 103 Ca 0.28 -0.33 -0.21 0.00 0.02 0.00 0.00 54.13 53.88 2k70 s LEU 103 Cb -0.17 -1.98 0.07 0.00 0.02 0.00 0.00 46.19 44.13 2k70 s LEU 103 CO 0.14 -0.11 0.84 -0.76 0.02 0.00 0.00 176.35 176.48 2k70 s LEU 104 N 1.63 4.67 0.06 1.79 1.43 -0.31 -3.17 118.68 124.78 2k70 s LEU 104 Ca 0.06 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 52.07 2k70 s LEU 104 Cb -0.16 -2.48 -0.06 0.00 0.03 0.00 0.00 46.19 43.52 2k70 s LEU 104 CO 0.06 -1.22 0.46 -0.36 0.23 0.00 0.00 176.35 175.51 2k70 s PHE 105 N 3.46 3.67 -0.07 0.29 0.08 -0.70 -0.78 117.98 123.93 2k70 s PHE 105 Ca 0.20 0.98 -0.37 0.00 0.12 0.00 0.00 56.93 57.86 2k70 s PHE 105 Cb -0.18 -2.29 -0.15 0.00 -0.57 0.00 0.00 43.02 39.83 2k70 s PHE 105 CO 0.11 0.55 1.66 0.00 -0.10 0.00 0.00 175.22 177.45 2k70 n ALA 106 N 1.30 0.17 -2.54 5.36 0.00 0.19 -3.06 120.51 121.93 2k70 n ALA 106 Ca -0.10 0.40 -0.06 0.00 0.00 0.00 0.00 53.44 53.68 2k70 n ALA 106 Cb 0.52 -2.29 0.03 0.00 0.00 0.00 0.00 19.45 17.71 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 3.74 0.30 0.92 0.00 0.00 -1.26 -4.60 105.19 104.29 2k70 n GLY 107 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.01 1.00 3.49 -0.02 0.00 -1.17 -5.09 105.19 102.39 2k70 n GLY 108 Ca -0.06 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.69 1.96 0.02 1.61 1.02 -1.23 -5.06 119.74 116.37 2k70 s LYS 109 Ca 0.00 -1.07 -0.01 0.00 0.02 0.00 0.00 55.97 54.91 2k70 s LYS 109 Cb 0.00 -2.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.11 2k70 s LYS 109 CO 0.00 0.51 -0.02 0.54 -0.92 0.00 0.00 175.35 175.46 2k70 s VAL 110 N -1.07 0.13 -0.21 3.17 0.11 -1.26 -1.71 120.40 119.55 2k70 s VAL 110 Ca 0.17 -1.04 -0.18 0.00 -2.93 0.00 0.00 61.98 58.00 2k70 s VAL 110 Cb -0.11 -0.47 0.06 0.00 -1.53 0.00 0.00 36.38 34.33 2k70 s VAL 110 CO 0.09 -0.57 0.55 -0.22 -3.33 0.00 0.00 175.10 171.62 2k70 s LEU 111 N -1.69 -0.19 -0.27 2.54 2.96 -1.19 -4.99 118.68 115.85 2k70 s LEU 111 Ca -0.12 1.13 -0.05 0.00 -0.22 0.00 0.00 54.13 54.86 2k70 s LEU 111 Cb -0.07 1.88 0.01 0.00 0.50 0.00 0.00 46.19 48.51 2k70 s LEU 111 CO -0.02 -0.20 0.03 -0.75 -1.32 0.00 0.00 176.35 174.09 2k70 s LYS 112 N 0.53 3.09 0.78 1.98 2.20 -1.26 -0.51 119.74 126.54 2k70 s LYS 112 Ca -0.02 -0.84 -0.04 0.00 -0.36 0.00 0.00 55.97 54.71 2k70 s LYS 112 Cb -0.04 -3.24 0.15 0.00 -1.51 0.00 0.00 37.83 33.18 2k70 s LYS 112 CO -0.02 -0.39 1.07 0.14 -0.36 0.00 0.00 175.35 175.78 2k70 s VAL 113 N 1.46 2.09 -0.01 4.02 -7.23 0.14 -4.91 120.40 115.95 2k70 s VAL 113 Ca 0.02 -0.47 -0.03 0.00 -1.81 0.00 0.00 61.98 59.70 2k70 s VAL 113 Cb -0.17 -2.62 -0.00 0.00 0.56 0.00 0.00 36.38 34.15 2k70 s VAL 113 CO 0.00 0.00 0.07 0.54 -0.31 0.00 0.00 175.10 175.40 2k70 s VAL 114 N -3.32 0.05 -0.15 1.32 0.11 -1.26 -1.06 120.40 116.09 2k70 s VAL 114 Ca 0.68 -0.42 -0.22 0.00 -2.93 0.00 0.00 61.98 59.09 2k70 s VAL 114 Cb -0.05 -0.25 0.06 0.00 -1.53 0.00 0.00 36.38 34.61 2k70 s VAL 114 CO 0.46 -0.23 0.58 -1.48 -3.33 0.00 0.00 175.10 171.10 2k70 s LEU 115 N -0.73 -0.21 0.70 2.54 2.34 -0.47 -4.85 118.68 117.99 2k70 s LEU 115 Ca -0.08 0.93 -0.13 0.00 0.06 0.00 0.00 54.13 54.91 2k70 s LEU 115 Cb -0.05 2.05 0.02 0.00 -0.56 0.00 0.00 46.19 47.66 2k70 s LEU 115 CO 0.00 -0.34 1.11 -2.16 -1.06 0.00 0.00 176.35 173.90 2k70 s PRO 116 N -0.27 2.59 -0.21 1.48 0.04 -1.26 -1.30 135.00 136.07 2k70 s PRO 116 Ca -0.04 1.33 -0.06 0.00 0.04 0.00 0.00 61.00 62.26 2k70 s PRO 116 Cb -0.03 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2k70 s PRO 116 CO 0.04 -1.40 0.04 0.08 0.04 0.00 0.00 177.00 175.79 2k70 s VAL 117 N -2.52 4.31 0.04 -0.36 1.01 0.95 -0.07 120.40 123.77 2k70 s VAL 117 Ca 0.65 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 2k70 s VAL 117 Cb -0.20 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2k70 s VAL 117 CO 0.46 0.41 0.20 -1.61 0.00 0.00 0.00 175.10 174.56 2k70 s GLU 118 N 0.99 0.71 -0.14 2.72 2.02 -0.44 -0.82 118.70 123.74 2k70 s GLU 118 Ca 0.03 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.35 2k70 s GLU 118 Cb -0.14 0.29 -0.02 0.00 0.10 0.00 0.00 34.13 34.36 2k70 s GLU 118 CO 0.02 -0.21 -0.10 0.00 0.02 0.00 0.00 175.26 175.00 2k70 s ALA 119 N -2.67 2.74 0.00 5.21 0.00 -1.26 -3.09 121.76 122.69 2k70 s ALA 119 Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2k70 s ALA 119 Cb -0.01 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2k70 s ALA 119 CO -0.04 0.21 0.00 2.89 0.00 0.00 0.00 175.76 178.81