#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 -0.41 0.36 1.61 0.15 -1.26 -4.98 113.70 109.17 2k70 s SER 2 Ca 0.00 0.93 0.15 0.00 0.70 0.00 0.00 55.95 57.73 2k70 s SER 2 Cb 0.00 -1.34 0.66 0.00 -1.71 0.00 0.00 66.02 63.63 2k70 s SER 2 CO 0.00 -4.98 1.76 2.19 1.20 0.00 0.00 173.24 173.41 2k70 h PHE 3 N -3.16 0.00 -3.61 3.44 -5.15 -2.06 -3.43 116.94 102.98 2k70 h PHE 3 Ca -0.47 0.00 -0.35 0.00 -0.20 0.00 0.00 57.97 56.95 2k70 h PHE 3 Cb 1.33 0.00 -0.32 0.00 0.22 0.00 0.00 35.95 37.18 2k70 h PHE 3 CO -2.48 0.42 -0.75 -0.08 -2.00 0.00 0.00 178.31 173.42 2k70 s THR 4 N -3.85 0.33 -0.29 0.88 -1.32 -1.26 -5.07 115.64 105.06 2k70 s THR 4 Ca -0.02 -0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 60.30 2k70 s THR 4 Cb 0.13 -0.36 -0.04 0.00 -1.51 0.00 0.00 72.50 70.72 2k70 s THR 4 CO 0.71 0.15 0.19 -1.61 -2.21 0.00 0.00 174.62 171.85 2k70 s GLU 5 N 0.63 3.83 0.28 7.08 8.01 -1.26 -4.95 118.70 132.32 2k70 s GLU 5 Ca -0.07 -0.40 -0.20 0.00 0.01 0.00 0.00 54.97 54.31 2k70 s GLU 5 Cb -0.10 -3.65 0.04 0.00 -4.31 0.00 0.00 34.13 26.11 2k70 s GLU 5 CO -0.01 -0.23 0.80 0.20 0.01 0.00 0.00 175.26 176.03 2k70 s GLY 6 N 1.74 0.02 -0.04 -1.39 0.00 -1.26 0.00 107.32 106.38 2k70 s GLY 6 Ca 0.07 -0.36 -0.13 0.00 0.00 0.00 0.00 44.72 44.30 2k70 s GLY 6 CO 0.10 0.02 0.30 0.66 0.00 0.00 0.00 173.10 174.18 2k70 s TRP 7 N -3.29 -0.21 -0.19 1.90 -2.14 -0.19 -4.32 118.94 110.51 2k70 s TRP 7 Ca 0.13 0.41 -0.15 0.00 2.66 0.00 0.00 56.10 59.15 2k70 s TRP 7 Cb -0.05 0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.37 2k70 s TRP 7 CO 0.07 -0.32 0.36 0.08 -2.66 0.00 0.00 176.95 174.49 2k70 s VAL 8 N -0.90 5.24 -0.09 -0.66 1.01 -0.06 -2.25 120.40 122.69 2k70 s VAL 8 Ca -0.10 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 2k70 s VAL 8 Cb -0.05 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2k70 s VAL 8 CO 0.03 0.30 1.27 -0.60 0.00 0.00 0.00 175.10 176.10 2k70 s ARG 9 N 1.02 4.29 0.33 2.72 3.52 -0.44 -1.49 118.95 128.90 2k70 s ARG 9 Ca 0.18 1.73 -0.26 0.00 -0.13 0.00 0.00 55.73 57.26 2k70 s ARG 9 Cb -0.14 -3.65 -0.14 0.00 -1.56 0.00 0.00 34.95 29.46 2k70 s ARG 9 CO 0.07 -0.57 0.76 0.34 -0.81 0.00 0.00 175.30 175.08 2k70 n PHE 10 N 5.80 0.32 -3.62 5.12 -0.00 -0.09 -4.33 117.46 120.66 2k70 n PHE 10 Ca 0.13 0.71 -0.15 0.00 -0.00 0.00 0.00 57.45 58.14 2k70 n PHE 10 Cb 0.45 -2.10 -0.06 0.00 -0.00 0.00 0.00 39.48 37.76 2k70 n PHE 10 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2k70 s SER 11 N -0.79 -0.42 -0.55 -2.13 0.01 -1.26 -4.84 113.70 103.72 2k70 s SER 11 Ca 0.61 0.29 -0.02 0.00 1.31 0.00 0.00 55.95 58.14 2k70 s SER 11 Cb -0.70 0.45 0.30 0.00 0.21 0.00 0.00 66.02 66.28 2k70 s SER 11 CO 0.58 -0.61 2.15 -0.81 0.41 0.00 0.00 173.24 174.96 2k70 n PRO 12 N 0.77 2.37 -1.00 12.44 -0.04 -1.26 -4.60 135.00 143.68 2k70 n PRO 12 Ca -0.19 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 2k70 n PRO 12 Cb 0.58 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.17 1.89 0.15 0.55 0.00 -1.26 -5.06 105.19 101.29 2k70 n GLY 13 Ca 0.49 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.61 1.61 0.13 -1.97 -3.46 132.00 122.69 2k70 h PRO 14 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2k70 h PRO 14 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2k70 h PRO 14 CO 0.00 0.00 -0.70 0.54 -0.23 0.00 0.00 178.00 177.61 2k70 s ASN 15 N -4.90 2.81 0.28 1.44 2.20 -1.26 -1.44 114.94 114.07 2k70 s ASN 15 Ca 0.08 -1.11 -0.07 0.00 -0.94 0.00 0.00 52.86 50.81 2k70 s ASN 15 Cb 0.10 -0.18 0.03 0.00 -2.00 0.00 0.00 41.25 39.20 2k70 s ASN 15 CO 0.56 -0.24 0.50 0.00 -2.94 0.00 0.00 177.10 174.99 2k70 n ALA 16 N -0.52 -0.93 -2.23 3.54 0.00 0.39 -4.68 120.51 116.08 2k70 n ALA 16 Ca -0.06 -1.03 -0.13 0.00 0.00 0.00 0.00 53.44 52.22 2k70 n ALA 16 Cb 0.62 0.82 -0.10 0.00 0.00 0.00 0.00 19.45 20.79 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 -2.03 1.30 -0.02 0.00 0.00 -1.26 -1.11 121.76 118.63 2k70 s ALA 17 Ca 0.15 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 2k70 s ALA 17 Cb -0.03 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.04 2k70 s ALA 17 CO 0.11 -0.46 0.06 0.00 0.00 0.00 0.00 175.76 175.47 2k70 s ALA 18 N -3.89 -0.14 -0.18 0.00 0.00 -0.26 -1.33 121.76 115.96 2k70 s ALA 18 Ca 0.31 0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 2k70 s ALA 18 Cb 0.07 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.16 2k70 s ALA 18 CO 0.08 -0.05 -0.06 0.71 0.00 0.00 0.00 175.76 176.44 2k70 s TYR 19 N -0.15 1.88 0.16 0.00 2.02 -0.96 -1.95 117.35 118.36 2k70 s TYR 19 Ca -0.02 -1.24 -0.24 0.00 -0.37 0.00 0.00 57.07 55.20 2k70 s TYR 19 Cb -0.02 -1.39 0.06 0.00 -0.40 0.00 0.00 41.96 40.21 2k70 s TYR 19 CO 0.00 -0.66 0.79 -0.48 -1.57 0.00 0.00 175.55 173.63 2k70 s LEU 20 N 1.57 -0.34 0.03 -1.29 2.34 -1.17 -1.02 118.68 118.81 2k70 s LEU 20 Ca -0.00 -0.27 -0.14 0.00 0.06 0.00 0.00 54.13 53.77 2k70 s LEU 20 Cb -0.16 2.40 -0.06 0.00 -0.56 0.00 0.00 46.19 47.81 2k70 s LEU 20 CO -0.08 -0.98 0.43 0.28 -1.06 0.00 0.00 176.35 174.95 2k70 s THR 21 N -3.54 4.99 -0.22 5.48 -1.32 0.10 -0.41 115.64 120.72 2k70 s THR 21 Ca 0.08 0.82 -0.16 0.00 -1.21 0.00 0.00 61.69 61.22 2k70 s THR 21 Cb -0.02 -3.72 -0.04 0.00 -1.51 0.00 0.00 72.50 67.21 2k70 s THR 21 CO -0.03 0.51 0.41 -0.22 -2.21 0.00 0.00 174.62 173.08 2k70 s LEU 22 N -1.27 4.12 0.02 9.08 1.98 0.11 -4.83 118.68 127.88 2k70 s LEU 22 Ca 0.27 0.48 0.04 0.00 -2.89 0.00 0.00 54.13 52.03 2k70 s LEU 22 Cb -0.16 -2.52 -0.03 0.00 0.66 0.00 0.00 46.19 44.14 2k70 s LEU 22 CO 0.15 -0.12 -0.08 -1.83 -1.89 0.00 0.00 176.35 172.58 2k70 s GLU 23 N 1.55 2.46 -0.59 1.98 -1.05 -1.26 -0.37 118.70 121.42 2k70 s GLU 23 Ca 0.19 -0.78 0.06 0.00 -0.15 0.00 0.00 54.97 54.28 2k70 s GLU 23 Cb -0.15 -2.45 0.30 0.00 -0.44 0.00 0.00 34.13 31.39 2k70 s GLU 23 CO 0.08 0.58 0.83 -1.71 0.95 0.00 0.00 175.26 176.00 2k70 n ASN 24 N 1.44 3.81 0.30 0.83 4.05 -0.31 -4.95 115.26 120.44 2k70 n ASN 24 Ca -0.15 -3.51 0.18 0.00 0.45 0.00 0.00 54.58 51.56 2k70 n ASN 24 Cb 0.52 -0.61 0.96 0.00 1.23 0.00 0.00 39.78 41.88 2k70 n ASN 24 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2k70 h PRO 25 N 3.54 0.00 0.00 1.20 0.13 -1.92 0.14 132.00 135.10 2k70 h PRO 25 Ca 0.16 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.15 2k70 h PRO 25 Cb 0.61 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.80 2k70 h PRO 25 CO 0.80 0.03 0.11 0.41 -0.23 0.00 0.00 178.00 179.11 2k70 n GLY 26 N -0.79 -1.62 0.43 1.56 0.00 -1.26 -4.71 105.19 98.80 2k70 n GLY 26 Ca -0.02 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.44 2k70 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k70 n ASP 27 N -3.36 1.85 -4.40 1.61 8.00 -1.26 -3.20 116.55 115.79 2k70 n ASP 27 Ca 0.05 -1.42 -0.25 0.00 0.71 0.00 0.00 54.79 53.88 2k70 n ASP 27 Cb 0.18 0.12 -0.11 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.20 2.45 0.25 0.64 0.05 -1.26 -4.81 118.68 114.79 2k70 s LEU 28 Ca 0.13 -0.89 -0.30 0.00 0.05 0.00 0.00 54.13 53.13 2k70 s LEU 28 Cb 0.10 -1.05 -0.09 0.00 -2.05 0.00 0.00 46.19 43.10 2k70 s LEU 28 CO 0.19 0.06 1.01 -2.16 -0.55 0.00 0.00 176.35 174.90 2k70 s PRO 29 N -2.81 4.76 0.22 1.48 0.04 -1.26 -4.32 135.00 133.10 2k70 s PRO 29 Ca 0.20 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 62.83 2k70 s PRO 29 Cb -0.07 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2k70 s PRO 29 CO 0.09 0.37 0.44 -0.51 0.04 0.00 0.00 177.00 177.43 2k70 s LEU 30 N -1.19 4.18 -0.26 -3.56 1.43 -0.49 -4.96 118.68 113.82 2k70 s LEU 30 Ca 0.43 0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 54.04 2k70 s LEU 30 Cb -0.28 -3.32 0.09 0.00 0.03 0.00 0.00 46.19 42.71 2k70 s LEU 30 CO 0.35 -0.07 0.10 -0.60 0.23 0.00 0.00 176.35 176.37 2k70 s ARG 31 N -3.24 0.38 -0.39 1.70 3.52 -1.26 -0.24 118.95 119.42 2k70 s ARG 31 Ca 0.41 -0.59 -0.26 0.00 -0.13 0.00 0.00 55.73 55.15 2k70 s ARG 31 Cb -0.11 -1.62 0.02 0.00 -1.56 0.00 0.00 34.95 31.68 2k70 s ARG 31 CO 0.28 -0.90 0.96 -1.17 -0.81 0.00 0.00 175.30 173.66 2k70 s LEU 32 N 1.94 3.95 -0.02 -0.88 0.20 0.35 -1.24 118.68 122.99 2k70 s LEU 32 Ca 0.07 0.56 0.18 0.00 0.69 0.00 0.00 54.13 55.63 2k70 s LEU 32 Cb -0.16 -3.31 -0.28 0.00 -0.43 0.00 0.00 46.19 42.01 2k70 s LEU 32 CO -0.26 -0.92 0.42 1.33 -0.29 0.00 0.00 176.35 176.63 2k70 n VAL 33 N 6.11 0.00 -3.49 1.68 0.24 0.21 -0.51 118.33 122.57 2k70 n VAL 33 Ca 0.08 -0.40 -0.05 0.00 -2.04 0.00 0.00 64.34 61.92 2k70 n VAL 33 Cb 0.48 0.13 0.01 0.00 -1.47 0.00 0.00 33.84 32.99 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 1.46 1.57 3.04 7.63 0.00 -0.96 -4.75 105.19 113.18 2k70 n GLY 34 Ca -0.03 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.66 0.67 -3.55 4.61 0.00 -1.26 -1.12 120.51 118.20 2k70 n ALA 35 Ca -0.09 -1.85 -0.17 0.00 0.00 0.00 0.00 53.44 51.33 2k70 n ALA 35 Cb 0.33 1.47 -0.06 0.00 0.00 0.00 0.00 19.45 21.19 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 -3.30 0.98 -0.06 0.00 3.52 -0.31 -4.83 118.95 114.94 2k70 s ARG 36 Ca 0.36 0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 56.16 2k70 s ARG 36 Cb 0.02 0.47 0.09 0.00 -1.56 0.00 0.00 34.95 33.96 2k70 s ARG 36 CO 0.25 -0.25 0.76 -0.08 -0.81 0.00 0.00 175.30 175.18 2k70 s THR 37 N -0.66 0.00 -0.63 4.11 -1.32 -1.26 -0.41 115.64 115.47 2k70 s THR 37 Ca -0.07 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.62 2k70 s THR 37 Cb -0.02 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.19 2k70 s THR 37 CO 0.07 0.00 1.66 -0.81 -2.21 0.00 0.00 174.62 173.33 2k70 n PRO 38 N 0.73 0.15 -1.40 7.08 -0.04 -1.26 -3.72 135.00 136.54 2k70 n PRO 38 Ca -0.16 0.36 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 2k70 n PRO 38 Cb 0.58 -1.77 0.10 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.05 2.82 -3.63 0.52 0.24 -1.26 -4.54 118.33 110.43 2k70 n VAL 39 Ca 0.03 -3.34 -0.13 0.00 -2.04 0.00 0.00 64.34 58.85 2k70 n VAL 39 Cb 0.23 -0.83 -0.07 0.00 -1.47 0.00 0.00 33.84 31.70 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 -3.52 -1.81 -0.20 2.33 0.00 -1.24 -3.44 121.76 113.88 2k70 s ALA 40 Ca 0.52 1.98 -0.02 0.00 0.00 0.00 0.00 51.96 54.44 2k70 s ALA 40 Cb 0.43 -1.17 -0.21 0.00 0.00 0.00 0.00 23.12 22.17 2k70 s ALA 40 CO 0.01 -0.33 0.04 -1.91 0.00 0.00 0.00 175.76 173.57 2k70 n GLU 41 N 2.55 0.70 -4.03 0.00 2.13 -0.45 -4.70 120.64 116.86 2k70 n GLU 41 Ca -0.14 0.20 -0.35 0.00 0.66 0.00 0.00 57.16 57.54 2k70 n GLU 41 Cb 0.55 -1.61 -0.10 0.00 0.27 0.00 0.00 31.44 30.56 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 -2.54 3.92 -0.06 5.31 0.52 -0.61 -5.04 118.95 120.46 2k70 s ARG 42 Ca -0.29 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 54.57 2k70 s ARG 42 Cb 0.08 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 2k70 s ARG 42 CO 0.68 0.23 -0.12 0.54 0.02 0.00 0.00 175.30 176.65 2k70 s VAL 43 N 0.47 3.25 0.11 3.52 0.11 -1.26 -0.91 120.40 125.69 2k70 s VAL 43 Ca 0.02 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 2k70 s VAL 43 Cb -0.13 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.39 2k70 s VAL 43 CO 0.01 0.59 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.65 2k70 s GLU 44 N -0.68 0.92 -0.20 1.54 2.02 0.09 -4.89 118.70 117.51 2k70 s GLU 44 Ca 0.10 -1.22 -0.02 0.00 0.02 0.00 0.00 54.97 53.85 2k70 s GLU 44 Cb -0.11 -0.64 -0.00 0.00 0.10 0.00 0.00 34.13 33.48 2k70 s GLU 44 CO 0.01 0.10 -0.09 -1.17 0.02 0.00 0.00 175.26 174.13 2k70 s LEU 45 N -2.56 2.68 0.25 1.80 2.96 -1.26 -0.70 118.68 121.85 2k70 s LEU 45 Ca 0.08 -0.45 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 2k70 s LEU 45 Cb -0.02 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 2k70 s LEU 45 CO 0.01 0.01 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.91 2k70 s HIS 46 N 1.27 1.96 0.16 5.38 3.76 0.20 -0.50 115.29 127.52 2k70 s HIS 46 Ca 0.03 -0.53 0.04 0.00 -0.15 0.00 0.00 55.06 54.46 2k70 s HIS 46 Cb -0.14 -0.95 -0.04 0.00 1.11 0.00 0.00 32.58 32.56 2k70 s HIS 46 CO -0.04 0.45 0.18 -1.83 -0.85 0.00 0.00 174.74 172.65 2k70 s GLU 47 N -3.62 3.04 0.08 1.40 -1.05 0.31 -0.90 118.70 117.95 2k70 s GLU 47 Ca 0.27 -0.81 0.09 0.00 -0.15 0.00 0.00 54.97 54.37 2k70 s GLU 47 Cb -0.01 -2.72 -0.03 0.00 -0.44 0.00 0.00 34.13 30.93 2k70 s GLU 47 CO 0.11 0.49 -0.24 0.99 0.95 0.00 0.00 175.26 177.55 2k70 s THR 48 N -1.76 1.99 0.37 1.83 2.01 -0.44 -2.01 115.64 117.63 2k70 s THR 48 Ca 0.32 -1.48 -0.13 0.00 0.31 0.00 0.00 61.69 60.70 2k70 s THR 48 Cb -0.10 -1.74 0.04 0.00 0.01 0.00 0.00 72.50 70.71 2k70 s THR 48 CO 0.25 0.17 0.72 0.72 -0.69 0.00 0.00 174.62 175.78 2k70 s PHE 49 N -0.95 0.31 -0.10 4.92 -0.71 -0.22 -4.15 117.98 117.09 2k70 s PHE 49 Ca 0.10 -0.88 0.00 0.00 -1.04 0.00 0.00 56.93 55.11 2k70 s PHE 49 Cb -0.10 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 2k70 s PHE 49 CO 0.04 -1.46 -0.09 1.41 -1.34 0.00 0.00 175.22 173.77 2k70 s MET 50 N -2.55 3.08 -0.00 1.99 -2.45 -1.26 -1.07 119.30 117.03 2k70 s MET 50 Ca 0.18 -0.60 0.03 0.00 -1.25 0.00 0.00 55.69 54.05 2k70 s MET 50 Cb -0.04 -2.64 -0.03 0.00 1.25 0.00 0.00 34.83 33.37 2k70 s MET 50 CO 0.13 0.45 -0.06 1.03 1.05 0.00 0.00 175.02 177.62 2k70 s ARG 51 N -0.24 2.60 0.21 4.11 0.52 0.48 -4.93 118.95 121.69 2k70 s ARG 51 Ca 0.03 -0.69 -0.17 0.00 -0.52 0.00 0.00 55.73 54.37 2k70 s ARG 51 Cb -0.13 -2.53 -0.08 0.00 0.52 0.00 0.00 34.95 32.73 2k70 s ARG 51 CO 0.03 0.61 0.66 -2.00 0.02 0.00 0.00 175.30 174.62 2k70 s GLU 52 N -1.40 4.12 -0.09 3.54 2.56 -1.26 -1.03 118.70 125.14 2k70 s GLU 52 Ca 0.17 0.70 -0.04 0.00 0.00 0.00 0.00 54.97 55.80 2k70 s GLU 52 Cb -0.11 -2.84 0.05 0.00 2.00 0.00 0.00 34.13 33.22 2k70 s GLU 52 CO 0.07 0.40 0.17 0.08 -0.56 0.00 0.00 175.26 175.43 2k70 s VAL 53 N -1.56 -0.27 -1.46 3.70 1.01 0.38 -4.92 120.40 117.29 2k70 s VAL 53 Ca 0.42 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2k70 s VAL 53 Cb -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2k70 s VAL 53 CO 0.20 0.14 0.00 -0.62 0.00 0.00 0.00 175.10 174.82 2k70 n GLU 54 N 5.24 -1.25 -1.15 2.72 1.02 -1.26 -0.89 120.64 125.07 2k70 n GLU 54 Ca -0.07 0.96 -0.01 0.00 -0.02 0.00 0.00 57.16 58.03 2k70 n GLU 54 Cb 0.50 -5.18 -0.00 0.00 -0.02 0.00 0.00 31.44 26.74 2k70 n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k70 n GLY 55 N -0.69 0.43 3.19 0.62 0.00 -1.26 -5.05 105.19 102.42 2k70 n GLY 55 Ca -0.14 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.31 2.98 -0.21 1.61 1.02 -0.07 -5.13 119.74 117.63 2k70 s LYS 56 Ca 0.00 -0.85 -0.12 0.00 0.02 0.00 0.00 55.97 55.02 2k70 s LYS 56 Cb 0.00 -2.32 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 2k70 s LYS 56 CO 0.00 0.10 0.21 0.15 -0.92 0.00 0.00 175.35 174.89 2k70 s LYS 57 N 0.55 4.14 -0.05 1.68 1.02 -1.26 -0.47 119.74 125.35 2k70 s LYS 57 Ca -0.14 -0.12 -0.06 0.00 0.02 0.00 0.00 55.97 55.67 2k70 s LYS 57 Cb -0.17 -3.50 0.01 0.00 -0.52 0.00 0.00 37.83 33.65 2k70 s LYS 57 CO 0.04 0.12 0.15 0.54 -0.92 0.00 0.00 175.35 175.28 2k70 s VAL 58 N 0.88 0.02 0.32 3.17 0.11 -0.20 -5.02 120.40 119.68 2k70 s VAL 58 Ca 0.11 -0.13 -0.04 0.00 -2.93 0.00 0.00 61.98 58.99 2k70 s VAL 58 Cb -0.13 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.41 2k70 s VAL 58 CO 0.04 -0.07 0.58 -0.04 -3.33 0.00 0.00 175.10 172.27 2k70 s MET 59 N -0.20 3.59 0.28 1.54 -1.94 -1.26 -0.39 119.30 120.92 2k70 s MET 59 Ca -0.03 -0.05 0.02 0.00 -1.71 0.00 0.00 55.69 53.92 2k70 s MET 59 Cb -0.02 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.15 2k70 s MET 59 CO 0.00 0.15 0.12 0.20 -0.01 0.00 0.00 175.02 175.49 2k70 s GLY 60 N -3.47 1.91 -0.04 -0.03 0.00 -0.23 -4.87 107.32 100.58 2k70 s GLY 60 Ca 0.43 -1.80 -0.09 0.00 0.00 0.00 0.00 44.72 43.26 2k70 s GLY 60 CO 0.33 -1.61 0.22 -0.29 0.00 0.00 0.00 173.10 171.75 2k70 s MET 61 N -3.93 0.43 0.06 2.90 1.75 -1.26 -1.05 119.30 118.20 2k70 s MET 61 Ca 0.36 -0.04 -0.12 0.00 -1.25 0.00 0.00 55.69 54.64 2k70 s MET 61 Cb 0.06 0.19 0.02 0.00 2.84 0.00 0.00 34.83 37.94 2k70 s MET 61 CO 0.15 -0.09 0.28 1.03 -0.65 0.00 0.00 175.02 175.73 2k70 s ARG 62 N -0.72 0.83 0.61 4.11 0.52 -0.85 -5.01 118.95 118.44 2k70 s ARG 62 Ca -0.08 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.35 2k70 s ARG 62 Cb -0.05 0.35 -0.03 0.00 0.52 0.00 0.00 34.95 35.75 2k70 s ARG 62 CO 0.02 -0.27 1.04 -1.25 0.02 0.00 0.00 175.30 174.86 2k70 s PRO 63 N -2.98 3.35 0.05 3.54 0.04 -1.26 -0.53 135.00 137.21 2k70 s PRO 63 Ca -0.02 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.08 2k70 s PRO 63 Cb 0.01 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2k70 s PRO 63 CO -0.06 -0.77 -0.06 0.14 0.04 0.00 0.00 177.00 176.29 2k70 s VAL 64 N -2.71 0.41 -0.13 -0.36 -7.23 0.34 -4.74 120.40 105.98 2k70 s VAL 64 Ca 0.60 -1.32 0.16 0.00 -1.81 0.00 0.00 61.98 59.62 2k70 s VAL 64 Cb -0.14 -0.87 0.09 0.00 0.56 0.00 0.00 36.38 36.01 2k70 s VAL 64 CO 0.42 -0.60 1.49 1.55 -0.31 0.00 0.00 175.10 177.64 2k70 h PRO 65 N 4.02 0.00 -1.37 4.82 0.13 -1.95 -3.42 132.00 134.23 2k70 h PRO 65 Ca -0.34 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.09 2k70 h PRO 65 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2k70 h PRO 65 CO 0.49 0.46 0.86 -0.59 -0.23 0.00 0.00 178.00 178.99 2k70 s PHE 66 N -3.04 -0.07 0.15 1.56 -0.12 -1.26 -4.69 117.98 110.52 2k70 s PHE 66 Ca 0.04 0.01 0.06 0.00 -0.05 0.00 0.00 56.93 56.98 2k70 s PHE 66 Cb 0.08 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 2k70 s PHE 66 CO 0.73 -0.19 0.04 -0.51 -0.05 0.00 0.00 175.22 175.24 2k70 s LEU 67 N -2.55 3.49 0.02 -1.99 1.43 0.33 -4.97 118.68 114.44 2k70 s LEU 67 Ca 0.12 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2k70 s LEU 67 Cb 0.02 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2k70 s LEU 67 CO -0.04 0.10 -0.14 -0.70 0.23 0.00 0.00 176.35 175.80 2k70 s GLU 68 N -2.85 2.28 -0.00 1.70 2.56 -1.26 -0.49 118.70 120.63 2k70 s GLU 68 Ca 0.28 -0.86 0.00 0.00 0.00 0.00 0.00 54.97 54.39 2k70 s GLU 68 Cb -0.10 -2.31 0.00 0.00 2.00 0.00 0.00 34.13 33.72 2k70 s GLU 68 CO 0.20 0.57 -0.00 0.08 -0.56 0.00 0.00 175.26 175.55 2k70 s VAL 69 N -0.92 0.01 0.48 3.70 1.01 0.66 -4.99 120.40 120.35 2k70 s VAL 69 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 2k70 s VAL 69 Cb -0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 36.38 36.20 2k70 s VAL 69 CO 0.05 0.00 0.86 -2.16 0.00 0.00 0.00 175.10 173.86 2k70 s PRO 70 N 0.03 3.75 0.46 2.72 0.04 -1.26 -1.40 135.00 139.32 2k70 s PRO 70 Ca -0.00 0.57 -0.25 0.00 0.04 0.00 0.00 61.00 61.36 2k70 s PRO 70 Cb -0.00 -2.28 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 2k70 s PRO 70 CO -0.00 -0.20 1.38 -1.25 0.04 0.00 0.00 177.00 176.96 2k70 s PRO 71 N -4.26 3.67 0.00 0.56 0.04 -1.26 -2.55 135.00 131.19 2k70 s PRO 71 Ca 0.53 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.87 2k70 s PRO 71 Cb -0.10 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.83 2k70 s PRO 71 CO 0.37 -0.79 0.00 1.63 0.04 0.00 0.00 177.00 178.25 2k70 n LYS 72 N -0.27 -0.02 -2.65 4.56 4.76 0.50 -5.01 118.16 120.04 2k70 n LYS 72 Ca 0.06 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.17 2k70 n LYS 72 Cb 0.43 -3.51 -0.05 0.00 -1.84 0.00 0.00 35.03 30.05 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 2.29 -0.13 0.72 0.00 -1.06 -4.86 107.32 102.28 2k70 s GLY 73 Ca 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 44.72 45.05 2k70 s GLY 73 CO 0.00 0.62 -0.08 0.50 0.00 0.00 0.00 173.10 174.14 2k70 s ARG 74 N -3.49 3.35 -0.08 2.90 1.81 -1.26 -1.16 118.95 121.02 2k70 s ARG 74 Ca 0.61 -0.60 -0.03 0.00 -1.72 0.00 0.00 55.73 54.00 2k70 s ARG 74 Cb -0.10 -2.73 0.05 0.00 -0.45 0.00 0.00 34.95 31.72 2k70 s ARG 74 CO 0.20 0.32 0.14 0.08 -0.68 0.00 0.00 175.30 175.36 2k70 s VAL 75 N 0.11 -0.22 -0.13 3.52 1.01 0.51 -5.00 120.40 120.19 2k70 s VAL 75 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2k70 s VAL 75 Cb -0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2k70 s VAL 75 CO 0.04 0.12 -0.14 -1.61 0.00 0.00 0.00 175.10 173.50 2k70 s GLU 76 N 2.26 3.31 -1.07 2.72 2.02 -1.26 -0.72 118.70 125.97 2k70 s GLU 76 Ca 0.04 -0.72 -0.22 0.00 0.02 0.00 0.00 54.97 54.08 2k70 s GLU 76 Cb -0.12 -2.61 -0.11 0.00 0.10 0.00 0.00 34.13 31.39 2k70 s GLU 76 CO -0.06 0.16 1.92 1.28 0.02 0.00 0.00 175.26 178.58 2k70 n LEU 77 N 3.68 3.40 -4.76 1.80 4.32 0.45 -4.87 117.00 121.01 2k70 n LEU 77 Ca -0.18 -3.11 -0.39 0.00 -0.02 0.00 0.00 56.01 52.31 2k70 n LEU 77 Cb 0.52 -1.56 0.02 0.00 -1.62 0.00 0.00 43.42 40.79 2k70 n LEU 77 CO 0.30 -1.37 0.96 -1.59 -1.22 0.00 0.00 177.39 174.47 2k70 s LYS 78 N 6.00 3.53 0.22 3.23 -2.85 -1.07 -3.04 119.74 125.76 2k70 s LYS 78 Ca 0.65 2.15 -0.08 0.00 -1.00 0.00 0.00 55.97 57.69 2k70 s LYS 78 Cb 0.04 -2.46 0.24 0.00 -2.06 0.00 0.00 37.83 33.59 2k70 s LYS 78 CO 0.13 -0.85 1.84 -1.00 0.10 0.00 0.00 175.35 175.58 2k70 h PRO 79 N 1.98 0.85 -1.21 1.78 0.13 -1.93 -1.08 132.00 132.51 2k70 h PRO 79 Ca -0.50 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2k70 h PRO 79 Cb 1.27 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2k70 h PRO 79 CO 0.60 0.56 0.00 0.41 -0.23 0.00 0.00 178.00 179.34 2k70 n GLY 80 N -1.30 1.92 0.00 1.56 0.00 -1.26 -4.80 105.19 101.30 2k70 n GLY 80 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.69 1.52 3.76 -0.02 0.00 -0.41 -4.74 105.19 105.99 2k70 n GLY 81 Ca 0.00 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 1.41 3.30 0.08 1.61 2.02 -1.22 -1.32 117.35 123.22 2k70 s TYR 82 Ca 0.00 1.51 -0.26 0.00 -0.37 0.00 0.00 57.07 57.95 2k70 s TYR 82 Cb 0.00 -3.50 0.08 0.00 -0.40 0.00 0.00 41.96 38.14 2k70 s TYR 82 CO 0.00 -1.31 0.69 -3.38 -1.57 0.00 0.00 175.55 169.98 2k70 s HIS 83 N -0.98 -0.50 0.38 2.71 -3.43 -0.08 -2.59 115.29 110.80 2k70 s HIS 83 Ca 0.48 0.42 -0.15 0.00 -0.80 0.00 0.00 55.06 55.01 2k70 s HIS 83 Cb -0.36 0.53 -0.08 0.00 -1.43 0.00 0.00 32.58 31.24 2k70 s HIS 83 CO 0.46 -0.73 0.80 -0.06 -2.00 0.00 0.00 174.74 173.21 2k70 s PHE 84 N -3.16 3.40 -0.13 0.38 0.08 -0.82 -0.63 117.98 117.09 2k70 s PHE 84 Ca 0.00 1.24 -0.01 0.00 0.12 0.00 0.00 56.93 58.28 2k70 s PHE 84 Cb -0.01 -2.57 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 2k70 s PHE 84 CO -0.08 -0.03 -0.09 1.41 -0.10 0.00 0.00 175.22 176.32 2k70 s MET 85 N -3.35 3.42 -0.23 0.44 1.75 0.12 -1.10 119.30 120.35 2k70 s MET 85 Ca 0.55 -0.62 -0.04 0.00 -1.25 0.00 0.00 55.69 54.33 2k70 s MET 85 Cb -0.10 -2.72 -0.00 0.00 2.84 0.00 0.00 34.83 34.85 2k70 s MET 85 CO 0.22 0.27 -0.03 -0.51 -0.65 0.00 0.00 175.02 174.32 2k70 s LEU 86 N 0.24 3.03 -0.03 4.11 1.02 -0.27 -0.73 118.68 126.05 2k70 s LEU 86 Ca -0.06 -0.48 0.07 0.00 0.02 0.00 0.00 54.13 53.67 2k70 s LEU 86 Cb -0.15 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 2k70 s LEU 86 CO 0.04 -0.05 -0.25 -0.76 0.02 0.00 0.00 176.35 175.35 2k70 s LEU 87 N 1.46 2.11 -0.21 1.79 1.02 -0.09 -0.46 118.68 124.31 2k70 s LEU 87 Ca 0.05 -0.46 -0.01 0.00 0.02 0.00 0.00 54.13 53.73 2k70 s LEU 87 Cb -0.15 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 44.70 2k70 s LEU 87 CO -0.03 0.30 0.12 0.61 0.02 0.00 0.00 176.35 177.38 2k70 n GLY 88 N 2.55 0.61 3.36 -3.19 0.00 -0.52 -1.34 105.19 106.67 2k70 n GLY 88 Ca -0.16 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.93 -0.86 -0.00 0.99 -0.00 -1.21 -3.09 117.00 111.89 2k70 n LEU 89 Ca -0.01 0.51 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 2k70 n LEU 89 Cb 0.51 -1.10 -0.00 0.00 -0.00 0.00 0.00 43.42 42.83 2k70 n LEU 89 CO 0.08 -3.81 -0.44 0.29 -0.00 0.00 0.00 177.39 173.50 2k70 n LYS 90 N -0.11 0.86 -3.72 1.47 4.76 -1.22 -4.85 118.16 115.35 2k70 n LYS 90 Ca 0.08 -0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.15 2k70 n LYS 90 Cb 0.51 -0.94 -0.06 0.00 -1.84 0.00 0.00 35.03 32.70 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 -1.88 3.64 -1.20 1.97 0.52 -1.26 -5.01 118.95 115.73 2k70 s ARG 91 Ca -0.00 0.08 -0.08 0.00 -0.52 0.00 0.00 55.73 55.21 2k70 s ARG 91 Cb 0.00 -3.18 -0.07 0.00 0.52 0.00 0.00 34.95 32.22 2k70 s ARG 91 CO 0.00 0.72 2.97 -0.35 0.02 0.00 0.00 175.30 178.66 2k70 n PRO 92 N 1.74 3.49 -0.22 3.54 -0.04 -1.26 -4.91 135.00 137.34 2k70 n PRO 92 Ca -0.16 -2.23 -0.08 0.00 -0.04 0.00 0.00 63.50 60.99 2k70 n PRO 92 Cb 0.54 -2.58 -0.02 0.00 -0.04 0.00 0.00 33.50 31.39 2k70 n PRO 92 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k70 n LEU 93 N 2.86 0.08 -4.47 1.53 4.77 -1.26 -5.00 117.00 115.52 2k70 n LEU 93 Ca 0.67 0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 56.47 2k70 n LEU 93 Cb 0.38 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 2k70 n LEU 93 CO 0.66 -0.12 -0.49 -0.54 -1.33 0.00 0.00 177.39 175.57 2k70 s LYS 94 N 1.20 1.66 0.21 3.23 -0.14 -1.26 -4.21 119.74 120.43 2k70 s LYS 94 Ca 0.20 -1.66 -0.32 0.00 -1.36 0.00 0.00 55.97 52.83 2k70 s LYS 94 Cb -0.22 -1.82 -0.14 0.00 -1.68 0.00 0.00 37.83 33.97 2k70 s LYS 94 CO 0.09 0.36 1.37 0.00 -0.76 0.00 0.00 175.35 176.41 2k70 n ALA 95 N -0.33 0.63 -0.99 5.17 0.00 -1.26 -1.70 120.51 122.04 2k70 n ALA 95 Ca -0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2k70 n ALA 95 Cb 0.59 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 2.29 0.91 3.77 0.00 0.00 -1.15 -5.04 105.19 105.97 2k70 n GLY 96 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.03 -0.26 -0.10 1.61 2.02 -0.69 -4.88 118.70 116.37 2k70 s GLU 97 Ca 0.00 -0.27 -0.05 0.00 0.02 0.00 0.00 54.97 54.67 2k70 s GLU 97 Cb 0.00 -1.73 0.05 0.00 0.10 0.00 0.00 34.13 32.55 2k70 s GLU 97 CO 0.00 -3.04 0.23 -1.83 0.02 0.00 0.00 175.26 170.65 2k70 s GLU 98 N -5.68 0.19 -0.09 1.61 -1.05 -1.26 -0.38 118.70 112.03 2k70 s GLU 98 Ca 0.73 0.52 -0.04 0.00 -0.15 0.00 0.00 54.97 56.03 2k70 s GLU 98 Cb -0.06 -0.13 0.05 0.00 -0.44 0.00 0.00 34.13 33.55 2k70 s GLU 98 CO 0.54 -0.17 0.19 0.08 0.95 0.00 0.00 175.26 176.85 2k70 s VAL 99 N 1.28 -0.26 0.53 1.83 1.01 0.36 -4.87 120.40 120.28 2k70 s VAL 99 Ca -0.09 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 2k70 s VAL 99 Cb -0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 36.38 35.88 2k70 s VAL 99 CO -0.08 0.13 1.00 -1.83 0.00 0.00 0.00 175.10 174.32 2k70 s GLU 100 N 2.14 3.82 -0.10 2.72 -1.05 -1.26 -0.84 118.70 124.13 2k70 s GLU 100 Ca 0.01 1.01 -0.13 0.00 -0.15 0.00 0.00 54.97 55.70 2k70 s GLU 100 Cb -0.12 -2.11 0.03 0.00 -0.44 0.00 0.00 34.13 31.49 2k70 s GLU 100 CO -0.06 -0.38 0.35 -1.17 0.95 0.00 0.00 175.26 174.94 2k70 s LEU 101 N -4.17 0.68 -0.35 1.83 0.20 -0.50 -4.34 118.68 112.04 2k70 s LEU 101 Ca 0.60 0.55 -0.01 0.00 0.69 0.00 0.00 54.13 55.95 2k70 s LEU 101 Cb -0.11 1.25 0.08 0.00 -0.43 0.00 0.00 46.19 46.98 2k70 s LEU 101 CO 0.33 -0.22 0.09 -1.81 -0.29 0.00 0.00 176.35 174.45 2k70 s ASP 102 N -0.24 5.01 -0.04 3.68 1.11 0.46 -0.76 116.67 125.90 2k70 s ASP 102 Ca -0.04 -1.72 -0.27 0.00 0.18 0.00 0.00 52.55 50.69 2k70 s ASP 102 Cb -0.03 -1.74 -0.03 0.00 1.07 0.00 0.00 42.92 42.18 2k70 s ASP 102 CO 0.02 -0.39 0.88 -0.76 1.18 0.00 0.00 175.17 176.09 2k70 s LEU 103 N 1.15 4.33 -0.22 1.23 1.02 0.28 -1.16 118.68 125.31 2k70 s LEU 103 Ca 0.03 1.47 -0.07 0.00 0.02 0.00 0.00 54.13 55.58 2k70 s LEU 103 Cb -0.21 -3.39 -0.03 0.00 0.02 0.00 0.00 46.19 42.58 2k70 s LEU 103 CO -0.04 -0.23 0.05 -0.76 0.02 0.00 0.00 176.35 175.40 2k70 s LEU 104 N 1.06 3.50 0.05 1.79 1.43 -0.27 -2.31 118.68 123.93 2k70 s LEU 104 Ca 0.46 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.52 2k70 s LEU 104 Cb -0.19 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 2k70 s LEU 104 CO 0.23 0.05 -0.23 -0.36 0.23 0.00 0.00 176.35 176.27 2k70 s PHE 105 N 1.12 2.04 0.67 0.29 0.08 -1.00 -0.62 117.98 120.56 2k70 s PHE 105 Ca 0.04 -0.39 -0.17 0.00 0.12 0.00 0.00 56.93 56.53 2k70 s PHE 105 Cb -0.14 -1.21 -0.00 0.00 -0.57 0.00 0.00 43.02 41.09 2k70 s PHE 105 CO 0.03 0.12 1.19 0.00 -0.10 0.00 0.00 175.22 176.45 2k70 n ALA 106 N 1.76 0.67 -0.99 5.36 0.00 -0.37 -3.34 120.51 123.60 2k70 n ALA 106 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2k70 n ALA 106 Cb 0.53 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 0.97 0.48 1.37 0.00 0.00 -1.26 -4.36 105.19 102.38 2k70 n GLY 107 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.38 0.24 3.04 -0.02 0.00 -1.21 -5.12 105.19 99.74 2k70 n GLY 108 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.91 0.48 0.01 1.61 3.01 -1.22 -5.08 119.74 115.64 2k70 s LYS 109 Ca 0.00 -0.85 -0.04 0.00 -1.01 0.00 0.00 55.97 54.08 2k70 s LYS 109 Cb 0.00 -0.02 -0.01 0.00 -1.01 0.00 0.00 37.83 36.80 2k70 s LYS 109 CO 0.00 -0.03 0.06 0.54 0.51 0.00 0.00 175.35 176.43 2k70 s VAL 110 N -2.14 0.08 -0.09 3.17 0.11 -1.26 -2.37 120.40 117.90 2k70 s VAL 110 Ca -0.07 -0.69 -0.03 0.00 -2.93 0.00 0.00 61.98 58.26 2k70 s VAL 110 Cb -0.05 -0.32 0.04 0.00 -1.53 0.00 0.00 36.38 34.53 2k70 s VAL 110 CO -0.03 -0.38 0.08 -0.22 -3.33 0.00 0.00 175.10 171.22 2k70 s LEU 111 N -1.22 0.20 -0.05 2.54 0.20 -0.98 -4.97 118.68 114.40 2k70 s LEU 111 Ca -0.13 -0.17 -0.15 0.00 0.69 0.00 0.00 54.13 54.37 2k70 s LEU 111 Cb -0.08 -0.15 -0.05 0.00 -0.43 0.00 0.00 46.19 45.48 2k70 s LEU 111 CO 0.00 -0.29 0.40 -0.54 -0.29 0.00 0.00 176.35 175.63 2k70 s LYS 112 N 2.17 4.05 0.22 1.98 1.02 -1.26 -0.55 119.74 127.37 2k70 s LYS 112 Ca 0.04 0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.42 2k70 s LYS 112 Cb -0.14 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 2k70 s LYS 112 CO -0.05 0.51 -0.01 0.08 -0.92 0.00 0.00 175.35 174.95 2k70 s VAL 113 N -0.46 1.01 -0.06 3.17 1.01 0.06 -5.01 120.40 120.13 2k70 s VAL 113 Ca 0.23 -2.03 0.02 0.00 0.00 0.00 0.00 61.98 60.20 2k70 s VAL 113 Cb -0.16 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.93 2k70 s VAL 113 CO 0.11 -0.35 -0.11 -0.69 0.00 0.00 0.00 175.10 174.05 2k70 s VAL 114 N -3.43 1.07 0.05 2.92 1.01 -1.26 -1.41 120.40 119.35 2k70 s VAL 114 Ca 0.28 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2k70 s VAL 114 Cb 0.06 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2k70 s VAL 114 CO 0.08 0.34 -0.22 -0.76 0.00 0.00 0.00 175.10 174.54 2k70 s LEU 115 N 0.69 2.19 0.62 3.92 1.43 -0.02 -4.93 118.68 122.58 2k70 s LEU 115 Ca -0.14 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.24 2k70 s LEU 115 Cb -0.16 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 2k70 s LEU 115 CO 0.03 0.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.71 2k70 s PRO 116 N -1.31 3.07 -0.19 1.29 0.04 -1.26 -0.49 135.00 136.15 2k70 s PRO 116 Ca 0.08 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.26 2k70 s PRO 116 Cb -0.09 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2k70 s PRO 116 CO 0.02 -1.02 0.46 0.08 0.04 0.00 0.00 177.00 176.58 2k70 s VAL 117 N -2.37 5.16 0.22 -0.36 1.01 0.48 -0.88 120.40 123.66 2k70 s VAL 117 Ca 0.66 0.84 -0.14 0.00 0.00 0.00 0.00 61.98 63.34 2k70 s VAL 117 Cb -0.18 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2k70 s VAL 117 CO 0.39 0.23 0.47 -1.61 0.00 0.00 0.00 175.10 174.58 2k70 s GLU 118 N 1.39 1.46 -0.45 2.72 0.41 -0.56 -2.95 118.70 120.72 2k70 s GLU 118 Ca 0.22 -1.13 -0.12 0.00 -0.41 0.00 0.00 54.97 53.53 2k70 s GLU 118 Cb -0.15 0.48 0.08 0.00 -1.78 0.00 0.00 34.13 32.76 2k70 s GLU 118 CO 0.09 -0.61 0.33 0.00 -0.49 0.00 0.00 175.26 174.58 2k70 s ALA 119 N -3.97 3.43 0.00 5.21 0.00 -1.26 -0.92 121.76 124.25 2k70 s ALA 119 Ca 0.18 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 49.97 2k70 s ALA 119 Cb -0.00 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2k70 s ALA 119 CO 0.05 -1.71 0.00 0.54 0.00 0.00 0.00 175.76 174.63