#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y n SER 2 N 0.00 0.00 0.23 1.61 2.88 -1.26 -5.02 113.62 112.05 2k6y n SER 2 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2k6y n SER 2 Cb 0.00 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 63.99 2k6y n SER 2 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2k6y h PHE 3 N 0.00 0.00 0.00 0.66 0.04 -2.03 -3.47 116.94 112.14 2k6y h PHE 3 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k6y h PHE 3 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2k6y h PHE 3 CO 0.00 0.23 0.00 2.41 -0.60 0.00 0.00 178.31 180.35 2k6y n THR 4 N -3.79 0.00 -3.30 -1.55 -1.04 -1.26 -4.74 114.28 98.59 2k6y n THR 4 Ca -0.02 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 2k6y n THR 4 Cb 0.33 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.76 2k6y n THR 4 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k6y s GLU 5 N -2.01 3.10 -0.08 -2.82 0.41 -1.26 -4.85 118.70 111.18 2k6y s GLU 5 Ca 0.00 -0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 53.47 2k6y s GLU 5 Cb 0.00 -3.98 0.10 0.00 -1.78 0.00 0.00 34.13 28.47 2k6y s GLU 5 CO 0.00 -0.89 1.36 0.20 -0.49 0.00 0.00 175.26 175.43 2k6y s GLY 6 N 1.92 -0.20 0.02 -1.39 0.00 -1.26 -0.03 107.32 106.37 2k6y s GLY 6 Ca 0.12 0.15 -0.21 0.00 0.00 0.00 0.00 44.72 44.78 2k6y s GLY 6 CO 0.13 6.58 0.49 0.66 0.00 0.00 0.00 173.10 180.96 2k6y s TRP 7 N -2.01 -0.38 -0.23 1.90 -2.14 -0.00 -4.07 118.94 112.00 2k6y s TRP 7 Ca 0.32 0.47 -0.07 0.00 2.66 0.00 0.00 56.10 59.47 2k6y s TRP 7 Cb 0.00 0.28 -0.03 0.00 -3.10 0.00 0.00 33.47 30.62 2k6y s TRP 7 CO -0.03 -0.58 0.07 0.08 -2.66 0.00 0.00 176.95 173.83 2k6y s VAL 8 N -2.12 4.40 0.27 -0.66 1.01 0.15 -1.50 120.40 121.95 2k6y s VAL 8 Ca -0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 2k6y s VAL 8 Cb -0.01 -3.04 0.27 0.00 0.00 0.00 0.00 36.38 33.60 2k6y s VAL 8 CO 0.01 0.37 1.89 -0.09 0.00 0.00 0.00 175.10 177.27 2k6y h ARG 9 N 7.88 1.15 -3.56 2.72 2.43 -0.80 -2.00 114.38 122.20 2k6y h ARG 9 Ca -0.37 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 58.79 2k6y h ARG 9 Cb 1.18 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 2k6y h ARG 9 CO 0.60 0.76 -0.99 0.34 -1.51 0.00 0.00 179.97 179.17 2k6y n PHE 10 N -4.50 -4.06 -3.61 2.20 7.35 -1.26 -0.93 117.46 112.65 2k6y n PHE 10 Ca 0.15 2.21 -0.01 0.00 -0.76 0.00 0.00 57.45 59.04 2k6y n PHE 10 Cb 0.18 -3.48 -0.01 0.00 0.35 0.00 0.00 39.48 36.52 2k6y n PHE 10 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k6y s SER 11 N -5.63 -0.09 0.00 -2.13 0.01 -1.26 -3.95 113.70 100.64 2k6y s SER 11 Ca 0.00 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2k6y s SER 11 Cb 0.00 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2k6y s SER 11 CO 0.00 -0.28 0.49 -0.81 0.41 0.00 0.00 173.24 173.04 2k6y n PRO 12 N -0.33 0.74 0.00 12.44 -0.04 -1.26 -4.87 135.00 141.67 2k6y n PRO 12 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2k6y n PRO 12 Cb 0.61 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2k6y n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6y n GLY 13 N 0.29 -2.25 0.04 0.55 0.00 -1.26 -4.95 105.19 97.61 2k6y n GLY 13 Ca 0.00 -1.52 0.10 0.00 0.00 0.00 0.00 46.02 44.60 2k6y n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k6y n PRO 14 N -0.58 0.06 -4.13 1.61 -0.04 -1.26 -4.88 135.00 125.78 2k6y n PRO 14 Ca 0.00 0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 2k6y n PRO 14 Cb 0.00 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 31.74 2k6y n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k6y s ASN 15 N -3.40 1.16 0.41 3.54 2.20 -1.26 -2.20 114.94 115.39 2k6y s ASN 15 Ca 0.08 -0.75 0.01 0.00 -0.94 0.00 0.00 52.86 51.25 2k6y s ASN 15 Cb 0.11 0.04 0.01 0.00 -2.00 0.00 0.00 41.25 39.41 2k6y s ASN 15 CO 0.37 -0.28 0.05 0.00 -2.94 0.00 0.00 177.10 174.29 2k6y n ALA 16 N 0.79 0.39 -2.35 3.54 0.00 0.10 -4.60 120.51 118.38 2k6y n ALA 16 Ca -0.18 -1.81 -0.19 0.00 0.00 0.00 0.00 53.44 51.26 2k6y n ALA 16 Cb 0.57 0.96 -0.09 0.00 0.00 0.00 0.00 19.45 20.89 2k6y n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k6y s ALA 17 N -2.69 1.99 0.02 0.00 0.00 -1.26 -0.92 121.76 118.90 2k6y s ALA 17 Ca 0.03 -1.76 -0.04 0.00 0.00 0.00 0.00 51.96 50.20 2k6y s ALA 17 Cb -0.00 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 2k6y s ALA 17 CO 0.02 -0.47 0.06 0.00 0.00 0.00 0.00 175.76 175.37 2k6y s ALA 18 N -3.60 -0.07 0.01 0.00 0.00 -0.76 -0.45 121.76 116.88 2k6y s ALA 18 Ca 0.35 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2k6y s ALA 18 Cb 0.06 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 2k6y s ALA 18 CO 0.16 -0.21 -0.02 0.71 0.00 0.00 0.00 175.76 176.40 2k6y s TYR 19 N -1.68 0.17 -0.07 0.00 2.02 -0.56 -1.66 117.35 115.56 2k6y s TYR 19 Ca -0.13 -0.14 -0.31 0.00 -0.37 0.00 0.00 57.07 56.12 2k6y s TYR 19 Cb -0.07 -0.11 0.11 0.00 -0.40 0.00 0.00 41.96 41.49 2k6y s TYR 19 CO -0.01 -0.04 0.99 -0.48 -1.57 0.00 0.00 175.55 174.44 2k6y s LEU 20 N -0.38 -0.30 -0.28 -1.29 0.05 -1.20 -0.82 118.68 114.46 2k6y s LEU 20 Ca -0.03 0.02 -0.13 0.00 0.05 0.00 0.00 54.13 54.04 2k6y s LEU 20 Cb -0.03 1.83 -0.04 0.00 -2.05 0.00 0.00 46.19 45.90 2k6y s LEU 20 CO -0.00 -0.49 0.28 -0.89 -0.55 0.00 0.00 176.35 174.70 2k6y s THR 21 N -2.81 5.24 -0.02 5.48 2.01 0.96 -0.41 115.64 126.09 2k6y s THR 21 Ca 0.06 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.40 2k6y s THR 21 Cb -0.01 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2k6y s THR 21 CO -0.07 0.18 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.76 2k6y s LEU 22 N 1.91 3.22 0.01 4.42 0.20 -0.28 -4.23 118.68 123.93 2k6y s LEU 22 Ca 0.11 -0.08 -0.04 0.00 0.69 0.00 0.00 54.13 54.81 2k6y s LEU 22 Cb -0.16 -1.79 -0.01 0.00 -0.43 0.00 0.00 46.19 43.80 2k6y s LEU 22 CO 0.11 0.31 0.05 -1.83 -0.29 0.00 0.00 176.35 174.70 2k6y s GLU 23 N -1.21 0.40 -0.29 1.98 -1.05 -1.26 -0.46 118.70 116.81 2k6y s GLU 23 Ca 0.16 -0.51 0.02 0.00 -0.15 0.00 0.00 54.97 54.49 2k6y s GLU 23 Cb -0.11 0.16 0.07 0.00 -0.44 0.00 0.00 34.13 33.80 2k6y s GLU 23 CO 0.06 -0.08 -0.05 1.21 0.95 0.00 0.00 175.26 177.34 2k6y s ASN 24 N -1.43 4.63 0.00 0.83 2.47 -0.18 -4.97 114.94 116.30 2k6y s ASN 24 Ca -0.15 -1.50 0.28 0.00 0.42 0.00 0.00 52.86 51.90 2k6y s ASN 24 Cb -0.09 -1.61 1.04 0.00 -1.45 0.00 0.00 41.25 39.14 2k6y s ASN 24 CO 0.00 -0.25 1.75 -0.81 -3.72 0.00 0.00 177.10 174.07 2k6y n PRO 25 N 4.46 0.66 0.00 0.43 -0.04 -1.26 -0.92 135.00 138.32 2k6y n PRO 25 Ca -0.11 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 2k6y n PRO 25 Cb 0.42 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2k6y n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6y n GLY 26 N 1.32 -0.21 0.13 0.55 0.00 -1.26 -4.77 105.19 100.96 2k6y n GLY 26 Ca 0.13 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 2k6y n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k6y n ASP 27 N 0.00 2.04 -4.65 1.61 5.75 -1.26 -4.37 116.55 115.68 2k6y n ASP 27 Ca 0.00 0.07 -0.25 0.00 -0.01 0.00 0.00 54.79 54.60 2k6y n ASP 27 Cb 0.00 -0.67 -0.09 0.00 -1.03 0.00 0.00 41.12 39.34 2k6y n ASP 27 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 2k6y s LEU 28 N -6.88 3.00 0.81 -2.12 0.05 -1.26 -4.73 118.68 107.54 2k6y s LEU 28 Ca -0.29 -1.04 -0.12 0.00 0.05 0.00 0.00 54.13 52.73 2k6y s LEU 28 Cb 0.08 -1.33 0.08 0.00 -2.05 0.00 0.00 46.19 42.97 2k6y s LEU 28 CO 0.67 -0.31 1.12 -2.16 -0.55 0.00 0.00 176.35 175.13 2k6y s PRO 29 N -3.75 1.98 0.04 1.48 0.04 -1.26 -4.23 135.00 129.30 2k6y s PRO 29 Ca 0.36 0.40 0.01 0.00 0.04 0.00 0.00 61.00 61.81 2k6y s PRO 29 Cb 0.01 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2k6y s PRO 29 CO 0.20 -1.64 0.11 -0.51 0.04 0.00 0.00 177.00 175.20 2k6y s LEU 30 N -5.71 3.99 -0.25 -3.56 1.43 -0.01 -4.92 118.68 109.65 2k6y s LEU 30 Ca 0.61 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.80 2k6y s LEU 30 Cb -0.13 -2.52 0.10 0.00 0.03 0.00 0.00 46.19 43.67 2k6y s LEU 30 CO 0.52 0.21 0.16 -0.60 0.23 0.00 0.00 176.35 176.88 2k6y s ARG 31 N -2.15 0.18 -0.57 1.70 3.52 -1.26 -0.52 118.95 119.85 2k6y s ARG 31 Ca 0.28 -0.27 -0.23 0.00 -0.13 0.00 0.00 55.73 55.37 2k6y s ARG 31 Cb -0.12 -1.24 0.05 0.00 -1.56 0.00 0.00 34.95 32.08 2k6y s ARG 31 CO 0.20 -0.90 0.93 -1.17 -0.81 0.00 0.00 175.30 173.55 2k6y s LEU 32 N 2.18 4.21 0.01 -0.88 2.96 1.00 -0.73 118.68 127.42 2k6y s LEU 32 Ca 0.07 -0.53 0.22 0.00 -0.22 0.00 0.00 54.13 53.67 2k6y s LEU 32 Cb -0.16 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 2k6y s LEU 32 CO -0.27 -1.26 0.98 1.33 -1.32 0.00 0.00 176.35 175.81 2k6y n VAL 33 N 6.10 0.05 -3.20 1.68 0.24 0.43 -0.67 118.33 122.96 2k6y n VAL 33 Ca -0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2k6y n VAL 33 Cb 0.47 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 2k6y n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k6y n GLY 34 N 1.43 -0.81 3.60 7.63 0.00 -1.16 -4.78 105.19 111.11 2k6y n GLY 34 Ca 0.03 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 2k6y n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6y s ALA 35 N -1.00 0.24 -0.01 4.61 0.00 -1.26 -1.14 121.76 123.19 2k6y s ALA 35 Ca 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.67 2k6y s ALA 35 Cb 0.00 0.99 0.00 0.00 0.00 0.00 0.00 23.12 24.11 2k6y s ALA 35 CO 0.00 -0.86 0.10 0.50 0.00 0.00 0.00 175.76 175.50 2k6y s ARG 36 N -2.83 0.30 0.00 0.00 3.52 0.59 -4.86 118.95 115.68 2k6y s ARG 36 Ca 0.25 -0.19 -0.17 0.00 -0.13 0.00 0.00 55.73 55.49 2k6y s ARG 36 Cb -0.02 0.12 0.03 0.00 -1.56 0.00 0.00 34.95 33.52 2k6y s ARG 36 CO 0.17 -0.06 0.37 -0.08 -0.81 0.00 0.00 175.30 174.89 2k6y s THR 37 N -0.76 0.06 0.62 4.11 -1.32 -1.26 -1.40 115.64 115.69 2k6y s THR 37 Ca -0.08 -0.45 0.33 0.00 -1.21 0.00 0.00 61.69 60.27 2k6y s THR 37 Cb -0.05 -0.77 0.37 0.00 -1.51 0.00 0.00 72.50 70.54 2k6y s THR 37 CO 0.00 -0.25 2.16 -0.65 -2.21 0.00 0.00 174.62 173.67 2k6y h PRO 38 N 3.52 0.00 -0.33 7.08 0.11 -2.00 -3.30 132.00 137.08 2k6y h PRO 38 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2k6y h PRO 38 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k6y h PRO 38 CO 0.42 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.54 2k6y n VAL 39 N -3.50 0.43 -4.12 3.15 0.24 -1.26 -4.36 118.33 108.91 2k6y n VAL 39 Ca -0.01 -0.59 -0.09 0.00 -2.04 0.00 0.00 64.34 61.61 2k6y n VAL 39 Cb 0.24 0.66 -0.10 0.00 -1.47 0.00 0.00 33.84 33.17 2k6y n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k6y s ALA 40 N -1.57 0.69 0.00 2.33 0.00 -1.24 -4.04 121.76 117.93 2k6y s ALA 40 Ca 0.36 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2k6y s ALA 40 Cb 0.20 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.98 2k6y s ALA 40 CO 0.28 -0.45 0.00 -1.91 0.00 0.00 0.00 175.76 173.68 2k6y n GLU 41 N -0.03 0.00 -2.46 0.00 4.07 -0.07 -4.37 120.64 117.79 2k6y n GLU 41 Ca -0.09 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.58 2k6y n GLU 41 Cb 0.63 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.99 2k6y n GLU 41 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2k6y s ARG 42 N 0.00 3.92 0.25 5.31 3.52 -1.16 -4.86 118.95 125.93 2k6y s ARG 42 Ca 0.00 1.19 -0.29 0.00 -0.13 0.00 0.00 55.73 56.49 2k6y s ARG 42 Cb 0.00 -3.86 -0.09 0.00 -1.56 0.00 0.00 34.95 29.43 2k6y s ARG 42 CO 0.00 -1.11 0.95 0.54 -0.81 0.00 0.00 175.30 174.87 2k6y s VAL 43 N 4.30 4.06 -0.09 7.11 0.11 -1.26 -1.31 120.40 133.33 2k6y s VAL 43 Ca 0.55 2.03 -0.04 0.00 -2.93 0.00 0.00 61.98 61.59 2k6y s VAL 43 Cb -0.16 -4.27 0.05 0.00 -1.53 0.00 0.00 36.38 30.47 2k6y s VAL 43 CO 0.23 0.44 0.17 -1.61 -3.33 0.00 0.00 175.10 171.00 2k6y s GLU 44 N -1.31 0.07 -0.25 1.54 2.02 -0.67 -4.99 118.70 115.09 2k6y s GLU 44 Ca 0.42 0.55 -0.29 0.00 0.02 0.00 0.00 54.97 55.67 2k6y s GLU 44 Cb -0.25 -0.22 0.01 0.00 0.10 0.00 0.00 34.13 33.77 2k6y s GLU 44 CO 0.31 -0.27 1.05 -1.17 0.02 0.00 0.00 175.26 175.20 2k6y s LEU 45 N 2.04 4.06 0.13 1.80 0.20 -1.26 -0.32 118.68 125.33 2k6y s LEU 45 Ca -0.00 1.29 0.05 0.00 0.69 0.00 0.00 54.13 56.16 2k6y s LEU 45 Cb -0.12 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.07 2k6y s LEU 45 CO -0.06 -0.72 0.07 -1.00 -0.29 0.00 0.00 176.35 174.34 2k6y s HIS 46 N 3.31 3.06 0.48 5.38 3.76 0.24 -0.91 115.29 130.62 2k6y s HIS 46 Ca 0.44 -0.02 0.08 0.00 -0.15 0.00 0.00 55.06 55.40 2k6y s HIS 46 Cb -0.14 -1.51 0.08 0.00 1.11 0.00 0.00 32.58 32.11 2k6y s HIS 46 CO 0.08 0.51 0.64 -0.85 -0.85 0.00 0.00 174.74 174.27 2k6y n GLU 47 N 0.05 0.68 -3.73 1.40 0.28 -0.14 -0.86 120.64 118.33 2k6y n GLU 47 Ca -0.09 -2.63 -0.12 0.00 -0.16 0.00 0.00 57.16 54.16 2k6y n GLU 47 Cb 0.54 -0.15 -0.13 0.00 1.43 0.00 0.00 31.44 33.12 2k6y n GLU 47 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2k6y s THR 48 N -2.02 -0.04 0.14 3.84 2.01 0.25 -3.34 115.64 116.48 2k6y s THR 48 Ca 0.48 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 2k6y s THR 48 Cb -0.04 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 2k6y s THR 48 CO 0.31 0.06 0.11 0.72 -0.69 0.00 0.00 174.62 175.13 2k6y s PHE 49 N 1.23 0.76 -0.00 4.92 -0.71 -0.14 -4.46 117.98 119.58 2k6y s PHE 49 Ca -0.09 -1.13 -0.06 0.00 -1.04 0.00 0.00 56.93 54.62 2k6y s PHE 49 Cb -0.10 -0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 41.28 2k6y s PHE 49 CO -0.08 -0.57 0.24 -1.64 -1.34 0.00 0.00 175.22 171.83 2k6y s MET 50 N -4.03 3.54 0.38 1.99 -1.94 -1.26 -0.96 119.30 117.02 2k6y s MET 50 Ca 0.23 -0.13 -0.12 0.00 -1.71 0.00 0.00 55.69 53.95 2k6y s MET 50 Cb 0.06 -3.09 0.04 0.00 2.01 0.00 0.00 34.83 33.86 2k6y s MET 50 CO 0.02 0.66 0.70 -0.98 -0.01 0.00 0.00 175.02 175.41 2k6y s ARG 51 N -1.76 2.16 0.38 2.03 1.70 -0.06 -4.91 118.95 118.49 2k6y s ARG 51 Ca 0.27 -1.54 -0.04 0.00 -0.47 0.00 0.00 55.73 53.95 2k6y s ARG 51 Cb -0.13 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2k6y s ARG 51 CO 0.16 -0.98 0.65 -2.00 -1.08 0.00 0.00 175.30 172.05 2k6y s GLU 52 N -2.49 3.57 -0.15 3.89 -6.30 -1.26 -0.83 118.70 115.12 2k6y s GLU 52 Ca 0.20 0.01 -0.06 0.00 -2.50 0.00 0.00 54.97 52.62 2k6y s GLU 52 Cb -0.04 -2.54 0.07 0.00 0.00 0.00 0.00 34.13 31.63 2k6y s GLU 52 CO 0.14 0.03 0.33 0.54 0.02 0.00 0.00 175.26 176.32 2k6y s VAL 53 N -2.41 -0.43 -1.20 3.70 0.11 -0.20 -4.70 120.40 115.27 2k6y s VAL 53 Ca 0.45 0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 59.66 2k6y s VAL 53 Cb -0.10 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2k6y s VAL 53 CO 0.37 0.09 0.81 1.21 -3.33 0.00 0.00 175.10 174.25 2k6y n GLU 54 N 5.17 -3.88 0.00 1.54 2.13 -1.26 -2.45 120.64 121.89 2k6y n GLU 54 Ca -0.10 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.40 2k6y n GLU 54 Cb 0.50 -5.24 0.00 0.00 0.27 0.00 0.00 31.44 26.97 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k6y n GLY 55 N -1.44 0.87 3.75 8.31 0.00 -1.26 -4.95 105.19 110.47 2k6y n GLY 55 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2k6y n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6y s LYS 56 N 0.00 4.76 0.06 1.61 1.02 -1.02 -4.89 119.74 121.28 2k6y s LYS 56 Ca 0.00 1.58 -0.30 0.00 0.02 0.00 0.00 55.97 57.26 2k6y s LYS 56 Cb 0.00 -3.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.01 2k6y s LYS 56 CO 0.00 0.40 1.79 0.15 -0.92 0.00 0.00 175.35 176.77 2k6y s LYS 57 N -1.34 4.16 0.09 1.68 -0.14 -1.26 -1.03 119.74 121.90 2k6y s LYS 57 Ca 0.43 2.47 -0.04 0.00 -1.36 0.00 0.00 55.97 57.47 2k6y s LYS 57 Cb -0.27 -3.81 -0.03 0.00 -1.68 0.00 0.00 37.83 32.04 2k6y s LYS 57 CO 0.34 -0.85 0.08 0.08 -0.76 0.00 0.00 175.35 174.25 2k6y s VAL 58 N 3.39 0.16 0.21 3.17 1.01 -0.01 -4.91 120.40 123.42 2k6y s VAL 58 Ca 0.80 -1.61 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2k6y s VAL 58 Cb -0.41 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2k6y s VAL 58 CO 0.36 -0.72 0.33 -0.04 0.00 0.00 0.00 175.10 175.03 2k6y s MET 59 N -3.93 3.42 0.08 2.72 -1.94 -1.26 -0.89 119.30 117.51 2k6y s MET 59 Ca 0.11 -0.72 0.01 0.00 -1.71 0.00 0.00 55.69 53.38 2k6y s MET 59 Cb 0.07 -2.90 -0.04 0.00 2.01 0.00 0.00 34.83 33.96 2k6y s MET 59 CO -0.07 0.46 -0.06 0.20 -0.01 0.00 0.00 175.02 175.54 2k6y s GLY 60 N -3.76 0.68 0.16 -0.03 0.00 -0.13 -4.89 107.32 99.34 2k6y s GLY 60 Ca 0.34 -1.26 0.08 0.00 0.00 0.00 0.00 44.72 43.88 2k6y s GLY 60 CO 0.29 -1.36 -0.17 1.06 0.00 0.00 0.00 173.10 172.91 2k6y s MET 61 N -3.63 1.25 -0.16 2.90 -1.94 -1.26 -0.97 119.30 115.49 2k6y s MET 61 Ca 0.09 -1.41 -0.30 0.00 -1.71 0.00 0.00 55.69 52.35 2k6y s MET 61 Cb 0.04 -1.24 0.13 0.00 2.01 0.00 0.00 34.83 35.77 2k6y s MET 61 CO -0.05 0.24 1.01 -0.98 -0.01 0.00 0.00 175.02 175.22 2k6y s ARG 62 N -2.91 0.58 0.64 2.03 1.70 -1.21 -5.01 118.95 114.78 2k6y s ARG 62 Ca 0.16 0.13 -0.16 0.00 -0.47 0.00 0.00 55.73 55.39 2k6y s ARG 62 Cb -0.05 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.60 2k6y s ARG 62 CO 0.06 -0.18 1.15 -1.25 -1.08 0.00 0.00 175.30 174.00 2k6y s PRO 63 N -1.15 2.77 0.17 3.89 0.04 -1.26 -0.97 135.00 138.49 2k6y s PRO 63 Ca -0.01 1.58 0.08 0.00 0.04 0.00 0.00 61.00 62.69 2k6y s PRO 63 Cb -0.00 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2k6y s PRO 63 CO 0.01 -1.31 -0.18 0.14 0.04 0.00 0.00 177.00 175.71 2k6y s VAL 64 N -2.04 1.82 -0.45 -0.36 -7.23 -0.08 -4.82 120.40 107.24 2k6y s VAL 64 Ca 0.71 -1.97 0.23 0.00 -1.81 0.00 0.00 61.98 59.14 2k6y s VAL 64 Cb -0.25 -1.88 0.24 0.00 0.56 0.00 0.00 36.38 35.05 2k6y s VAL 64 CO 0.38 -0.36 1.69 -0.81 -0.31 0.00 0.00 175.10 175.70 2k6y n PRO 65 N 0.18 0.18 -3.62 4.82 -0.04 -1.26 -4.66 135.00 130.59 2k6y n PRO 65 Ca -0.12 0.46 -0.01 0.00 -0.04 0.00 0.00 63.50 63.79 2k6y n PRO 65 Cb 0.58 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 32.15 2k6y n PRO 65 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2k6y s PHE 66 N -3.35 -0.01 0.53 0.54 -0.12 -1.26 -4.71 117.98 109.60 2k6y s PHE 66 Ca 0.03 0.01 0.08 0.00 -0.05 0.00 0.00 56.93 56.99 2k6y s PHE 66 Cb 0.09 0.50 0.05 0.00 -0.63 0.00 0.00 43.02 43.03 2k6y s PHE 66 CO 0.35 -0.02 0.58 -0.51 -0.05 0.00 0.00 175.22 175.56 2k6y s LEU 67 N -2.24 3.05 0.25 -1.99 1.43 0.16 -4.95 118.68 114.38 2k6y s LEU 67 Ca 0.12 -0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 52.12 2k6y s LEU 67 Cb 0.01 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.62 2k6y s LEU 67 CO -0.03 -1.11 0.57 -1.83 0.23 0.00 0.00 176.35 174.17 2k6y s GLU 68 N -4.43 1.60 -0.15 1.70 -1.05 -1.26 -0.00 118.70 115.10 2k6y s GLU 68 Ca 0.50 -1.09 -0.12 0.00 -0.15 0.00 0.00 54.97 54.11 2k6y s GLU 68 Cb -0.04 0.53 0.05 0.00 -0.44 0.00 0.00 34.13 34.22 2k6y s GLU 68 CO 0.31 -0.69 0.39 0.08 0.95 0.00 0.00 175.26 176.29 2k6y s VAL 69 N -3.96 -0.01 1.11 1.83 1.01 0.33 -4.95 120.40 115.76 2k6y s VAL 69 Ca 0.16 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 2k6y s VAL 69 Cb -0.03 -0.56 0.25 0.00 0.00 0.00 0.00 36.38 36.04 2k6y s VAL 69 CO 0.06 0.02 1.06 -2.16 0.00 0.00 0.00 175.10 174.08 2k6y s PRO 70 N 0.65 -0.48 0.41 2.72 0.04 -1.26 -0.83 135.00 136.26 2k6y s PRO 70 Ca -0.04 0.48 -0.26 0.00 0.04 0.00 0.00 61.00 61.23 2k6y s PRO 70 Cb -0.05 -1.63 -0.09 0.00 0.04 0.00 0.00 34.50 32.77 2k6y s PRO 70 CO -0.04 -3.34 1.32 -1.25 0.04 0.00 0.00 177.00 173.73 2k6y s PRO 71 N -4.87 3.94 0.00 0.56 0.04 -1.26 -3.35 135.00 130.06 2k6y s PRO 71 Ca 0.67 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.91 2k6y s PRO 71 Cb -0.19 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2k6y s PRO 71 CO 0.60 -0.53 0.00 1.63 0.04 0.00 0.00 177.00 178.73 2k6y n LYS 72 N 0.10 0.00 -0.70 4.56 4.76 -0.10 -4.97 118.16 121.80 2k6y n LYS 72 Ca 0.04 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.45 2k6y n LYS 72 Cb 0.43 -2.70 0.01 0.00 -1.84 0.00 0.00 35.03 30.94 2k6y n LYS 72 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k6y n GLY 73 N -2.00 0.39 3.54 0.72 0.00 -1.21 -4.83 105.19 101.80 2k6y n GLY 73 Ca 0.00 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 2k6y n GLY 73 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k6y s ARG 74 N -2.78 0.74 0.10 1.61 1.70 -1.26 -1.01 118.95 118.05 2k6y s ARG 74 Ca 0.07 -0.06 0.02 0.00 -0.47 0.00 0.00 55.73 55.29 2k6y s ARG 74 Cb -0.00 0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 2k6y s ARG 74 CO 0.05 -0.28 -0.07 0.14 -1.08 0.00 0.00 175.30 174.06 2k6y s VAL 75 N -2.10 0.71 -0.18 4.99 -7.23 0.39 -4.98 120.40 112.00 2k6y s VAL 75 Ca 0.01 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 2k6y s VAL 75 Cb -0.01 -1.62 0.03 0.00 0.56 0.00 0.00 36.38 35.35 2k6y s VAL 75 CO -0.03 -0.83 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.10 2k6y s GLU 76 N -3.67 2.26 -1.23 4.82 2.12 -1.26 -1.12 118.70 120.60 2k6y s GLU 76 Ca 0.11 -0.79 -0.15 0.00 0.36 0.00 0.00 54.97 54.50 2k6y s GLU 76 Cb 0.04 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 2k6y s GLU 76 CO -0.04 -0.35 2.23 1.28 -0.54 0.00 0.00 175.26 177.84 2k6y n LEU 77 N 4.69 6.14 -4.80 2.70 4.32 0.46 -4.59 117.00 125.92 2k6y n LEU 77 Ca -0.16 -3.70 -0.34 0.00 -0.02 0.00 0.00 56.01 51.78 2k6y n LEU 77 Cb 0.48 -1.44 -0.04 0.00 -1.62 0.00 0.00 43.42 40.80 2k6y n LEU 77 CO 0.21 0.76 0.71 -1.59 -1.22 0.00 0.00 177.39 176.27 2k6y s LYS 78 N 3.61 3.93 0.51 3.23 -2.85 -1.09 -3.27 119.74 123.81 2k6y s LYS 78 Ca 0.52 1.36 0.17 0.00 -1.00 0.00 0.00 55.97 57.03 2k6y s LYS 78 Cb 0.14 -2.20 1.26 0.00 -2.06 0.00 0.00 37.83 34.97 2k6y s LYS 78 CO -0.02 -0.32 2.11 -1.00 0.10 0.00 0.00 175.35 176.23 2k6y h PRO 79 N 1.81 0.04 -1.92 1.78 0.13 -1.93 -0.27 132.00 131.64 2k6y h PRO 79 Ca -0.49 -0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 2k6y h PRO 79 Cb 1.21 -0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 2k6y h PRO 79 CO 0.60 0.03 0.51 0.41 -0.23 0.00 0.00 178.00 179.32 2k6y n GLY 80 N -1.55 4.56 0.76 1.56 0.00 -1.26 -4.63 105.19 104.62 2k6y n GLY 80 Ca -0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2k6y n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6y n GLY 81 N 0.54 -1.81 3.45 -0.02 0.00 -0.45 -4.97 105.19 101.94 2k6y n GLY 81 Ca 0.48 0.58 -0.15 0.00 0.00 0.00 0.00 46.02 46.93 2k6y n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6y s TYR 82 N -1.51 -0.56 0.18 1.61 2.02 -0.24 -0.58 117.35 118.27 2k6y s TYR 82 Ca 0.00 1.12 -0.24 0.00 -0.37 0.00 0.00 57.07 57.58 2k6y s TYR 82 Cb 0.00 0.28 0.06 0.00 -0.40 0.00 0.00 41.96 41.89 2k6y s TYR 82 CO 0.00 -0.46 0.93 -3.38 -1.57 0.00 0.00 175.55 171.07 2k6y s HIS 83 N -0.66 -0.11 -0.14 2.71 -3.43 -0.04 -2.69 115.29 110.93 2k6y s HIS 83 Ca -0.07 -0.23 -0.07 0.00 -0.80 0.00 0.00 55.06 53.88 2k6y s HIS 83 Cb -0.03 0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 31.75 2k6y s HIS 83 CO 0.05 -0.92 0.10 -0.06 -2.00 0.00 0.00 174.74 171.91 2k6y s PHE 84 N -3.27 3.42 -0.06 0.38 0.08 -0.67 -0.59 117.98 117.28 2k6y s PHE 84 Ca 0.13 0.34 -0.27 0.00 0.12 0.00 0.00 56.93 57.25 2k6y s PHE 84 Cb -0.02 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 2k6y s PHE 84 CO 0.04 0.50 0.86 -1.64 -0.10 0.00 0.00 175.22 174.87 2k6y s MET 85 N -0.49 4.47 -0.36 0.44 -1.94 0.57 -1.83 119.30 120.15 2k6y s MET 85 Ca 0.11 1.16 -0.02 0.00 -1.71 0.00 0.00 55.69 55.23 2k6y s MET 85 Cb -0.12 -3.48 0.08 0.00 2.01 0.00 0.00 34.83 33.33 2k6y s MET 85 CO 0.02 -0.06 0.11 -0.51 -0.01 0.00 0.00 175.02 174.57 2k6y s LEU 86 N 1.16 4.67 0.16 -0.03 1.43 -0.09 -1.67 118.68 124.31 2k6y s LEU 86 Ca 0.44 -1.70 0.03 0.00 -1.03 0.00 0.00 54.13 51.87 2k6y s LEU 86 Cb -0.19 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2k6y s LEU 86 CO 0.21 -0.42 0.30 -0.76 0.23 0.00 0.00 176.35 175.91 2k6y s LEU 87 N 1.18 4.34 0.00 1.79 1.43 -0.43 -0.72 118.68 126.27 2k6y s LEU 87 Ca 0.03 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2k6y s LEU 87 Cb -0.21 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.10 2k6y s LEU 87 CO -0.03 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.19 2k6y n GLY 88 N -0.69 1.69 2.59 -3.19 0.00 -0.93 -0.89 105.19 103.77 2k6y n GLY 88 Ca -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 2k6y n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k6y n LEU 89 N 0.00 -7.13 0.00 0.99 4.77 -1.26 -4.89 117.00 109.49 2k6y n LEU 89 Ca 0.00 0.86 0.11 0.00 -0.03 0.00 0.00 56.01 56.95 2k6y n LEU 89 Cb 0.00 -3.03 0.65 0.00 -2.33 0.00 0.00 43.42 38.70 2k6y n LEU 89 CO 0.00 -2.40 0.84 2.29 -1.33 0.00 0.00 177.39 176.79 2k6y n LYS 90 N 0.15 0.66 -3.77 3.23 2.85 -1.26 -4.68 118.16 115.34 2k6y n LYS 90 Ca 0.05 0.01 -0.10 0.00 -1.05 0.00 0.00 58.31 57.22 2k6y n LYS 90 Cb 0.19 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.01 2k6y n LYS 90 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2k6y s ARG 91 N -2.05 0.91 0.89 -1.58 0.52 -1.26 -5.02 118.95 111.36 2k6y s ARG 91 Ca 0.32 -0.82 -0.11 0.00 -0.52 0.00 0.00 55.73 54.60 2k6y s ARG 91 Cb 0.15 0.38 0.12 0.00 0.52 0.00 0.00 34.95 36.13 2k6y s ARG 91 CO 0.26 -0.31 1.10 -1.25 0.02 0.00 0.00 175.30 175.12 2k6y s PRO 92 N -3.68 1.31 -0.34 3.54 0.04 -1.26 -4.90 135.00 129.71 2k6y s PRO 92 Ca 0.03 1.15 0.10 0.00 0.04 0.00 0.00 61.00 62.32 2k6y s PRO 92 Cb 0.03 -1.79 0.36 0.00 0.04 0.00 0.00 34.50 33.14 2k6y s PRO 92 CO -0.10 -2.30 1.39 1.47 0.04 0.00 0.00 177.00 177.50 2k6y n LEU 93 N -3.97 -1.50 -4.77 -3.56 -0.00 -1.26 -4.97 117.00 96.96 2k6y n LEU 93 Ca 0.09 -3.09 -0.38 0.00 -0.00 0.00 0.00 56.01 52.63 2k6y n LEU 93 Cb 0.53 0.16 -0.04 0.00 -0.00 0.00 0.00 43.42 44.08 2k6y n LEU 93 CO 0.53 1.71 0.76 -0.75 -0.00 0.00 0.00 177.39 179.64 2k6y s LYS 94 N 0.14 4.31 -0.32 1.47 2.36 -1.26 -4.77 119.74 121.66 2k6y s LYS 94 Ca 0.12 1.64 -0.41 0.00 -2.55 0.00 0.00 55.97 54.78 2k6y s LYS 94 Cb 0.39 -2.77 -0.16 0.00 -1.05 0.00 0.00 37.83 34.24 2k6y s LYS 94 CO -0.10 -0.05 1.80 0.00 1.55 0.00 0.00 175.35 178.55 2k6y n ALA 95 N 0.36 -0.16 0.00 3.13 0.00 -1.26 -1.67 120.51 120.90 2k6y n ALA 95 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2k6y n ALA 95 Cb 0.48 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2k6y n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6y n GLY 96 N 4.58 1.00 3.82 0.00 0.00 -1.26 -5.06 105.19 108.26 2k6y n GLY 96 Ca 0.30 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 2k6y n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k6y s GLU 97 N -0.32 2.57 -0.11 1.61 -1.05 -0.67 -5.09 118.70 115.64 2k6y s GLU 97 Ca 0.00 -1.43 -0.00 0.00 -0.15 0.00 0.00 54.97 53.39 2k6y s GLU 97 Cb 0.00 -2.35 -0.02 0.00 -0.44 0.00 0.00 34.13 31.31 2k6y s GLU 97 CO 0.00 0.05 -0.09 -1.21 0.95 0.00 0.00 175.26 174.95 2k6y s GLU 98 N -3.97 3.15 -0.38 -4.83 0.41 -1.26 -2.92 118.70 108.89 2k6y s GLU 98 Ca 0.41 -0.61 -0.26 0.00 -0.41 0.00 0.00 54.97 54.11 2k6y s GLU 98 Cb -0.04 -2.65 0.02 0.00 -1.78 0.00 0.00 34.13 29.67 2k6y s GLU 98 CO 0.25 0.41 0.92 0.08 -0.49 0.00 0.00 175.26 176.43 2k6y s VAL 99 N -0.13 4.57 0.10 2.63 1.01 0.11 -4.87 120.40 123.82 2k6y s VAL 99 Ca 0.01 1.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.77 2k6y s VAL 99 Cb -0.13 -4.34 -0.08 0.00 0.00 0.00 0.00 36.38 31.83 2k6y s VAL 99 CO 0.03 -0.58 1.41 -0.70 0.00 0.00 0.00 175.10 175.26 2k6y s GLU 100 N 3.50 4.30 0.02 2.72 -6.30 -1.26 -1.91 118.70 119.77 2k6y s GLU 100 Ca 0.37 2.09 0.00 0.00 -2.50 0.00 0.00 54.97 54.94 2k6y s GLU 100 Cb -0.12 -3.30 -0.02 0.00 0.00 0.00 0.00 34.13 30.70 2k6y s GLU 100 CO 0.20 -0.48 -0.02 -0.51 0.02 0.00 0.00 175.26 174.47 2k6y s LEU 101 N 1.34 2.19 -0.11 2.70 1.43 -0.51 -4.02 118.68 121.71 2k6y s LEU 101 Ca 0.65 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2k6y s LEU 101 Cb -0.37 0.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.91 2k6y s LEU 101 CO 0.30 -0.24 -0.14 -1.81 0.23 0.00 0.00 176.35 174.69 2k6y s ASP 102 N -1.16 3.95 -0.27 2.29 1.01 -0.49 -0.42 116.67 121.58 2k6y s ASP 102 Ca -0.13 -0.32 -0.12 0.00 0.71 0.00 0.00 52.55 52.69 2k6y s ASP 102 Cb -0.08 -1.43 -0.05 0.00 1.01 0.00 0.00 42.92 42.38 2k6y s ASP 102 CO -0.01 0.20 0.25 -0.76 0.21 0.00 0.00 175.17 175.07 2k6y s LEU 103 N 0.12 4.05 -0.17 1.23 1.43 -0.24 -0.30 118.68 124.80 2k6y s LEU 103 Ca -0.07 0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 2k6y s LEU 103 Cb -0.15 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 2k6y s LEU 103 CO 0.05 -0.07 0.27 -0.76 0.23 0.00 0.00 176.35 176.06 2k6y s LEU 104 N 1.72 4.23 0.06 1.79 1.43 -0.29 -1.91 118.68 125.71 2k6y s LEU 104 Ca 0.10 0.46 0.09 0.00 -1.03 0.00 0.00 54.13 53.75 2k6y s LEU 104 Cb -0.15 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 2k6y s LEU 104 CO 0.09 0.11 -0.24 -0.36 0.23 0.00 0.00 176.35 176.18 2k6y s PHE 105 N 0.48 2.06 0.18 0.29 0.08 -0.24 -0.43 117.98 120.41 2k6y s PHE 105 Ca 0.15 -0.39 -0.33 0.00 0.12 0.00 0.00 56.93 56.48 2k6y s PHE 105 Cb -0.13 -1.21 -0.14 0.00 -0.57 0.00 0.00 43.02 40.98 2k6y s PHE 105 CO 0.03 0.15 1.56 0.00 -0.10 0.00 0.00 175.22 176.86 2k6y n ALA 106 N 1.64 1.52 0.00 5.36 0.00 0.09 -3.75 120.51 125.37 2k6y n ALA 106 Ca -0.17 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2k6y n ALA 106 Cb 0.53 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2k6y n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6y n GLY 107 N 3.20 -1.74 1.24 0.00 0.00 -1.26 -4.55 105.19 102.08 2k6y n GLY 107 Ca 0.16 -1.82 -0.04 0.00 0.00 0.00 0.00 46.02 44.32 2k6y n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6y n GLY 108 N 0.00 2.52 3.72 -0.02 0.00 -1.26 -4.93 105.19 105.22 2k6y n GLY 108 Ca 0.00 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 2k6y n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6y s LYS 109 N -1.25 4.19 -0.08 1.61 1.02 -1.25 -5.06 119.74 118.92 2k6y s LYS 109 Ca 0.18 -0.18 -0.07 0.00 0.02 0.00 0.00 55.97 55.93 2k6y s LYS 109 Cb 0.15 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 2k6y s LYS 109 CO 0.04 0.27 0.21 0.54 -0.92 0.00 0.00 175.35 175.49 2k6y s VAL 110 N 0.44 -0.01 -0.17 3.17 0.11 -1.26 -1.08 120.40 121.60 2k6y s VAL 110 Ca 0.09 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.18 2k6y s VAL 110 Cb -0.11 -0.31 0.02 0.00 -1.53 0.00 0.00 36.38 34.44 2k6y s VAL 110 CO -0.01 0.01 -0.20 -0.76 -3.33 0.00 0.00 175.10 170.82 2k6y s LEU 111 N 0.32 2.17 0.24 2.54 1.43 -0.80 -4.97 118.68 119.60 2k6y s LEU 111 Ca -0.02 -0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 2k6y s LEU 111 Cb -0.03 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 2k6y s LEU 111 CO -0.01 0.02 0.94 -0.75 0.23 0.00 0.00 176.35 176.78 2k6y s LYS 112 N 1.17 4.85 0.24 1.70 2.20 -1.26 -1.08 119.74 127.56 2k6y s LYS 112 Ca 0.02 1.49 -0.05 0.00 -0.36 0.00 0.00 55.97 57.07 2k6y s LYS 112 Cb -0.14 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 2k6y s LYS 112 CO -0.10 0.51 0.30 0.14 -0.36 0.00 0.00 175.35 175.84 2k6y s VAL 113 N -1.14 0.00 -0.15 4.02 -7.23 0.44 -4.98 120.40 111.36 2k6y s VAL 113 Ca 0.41 -1.74 -0.08 0.00 -1.81 0.00 0.00 61.98 58.75 2k6y s VAL 113 Cb -0.26 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.33 2k6y s VAL 113 CO 0.32 0.00 0.36 0.54 -0.31 0.00 0.00 175.10 176.01 2k6y s VAL 114 N -3.97 -0.03 0.02 1.32 0.11 -1.26 -1.42 120.40 115.18 2k6y s VAL 114 Ca 0.32 0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.39 2k6y s VAL 114 Cb 0.03 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 2k6y s VAL 114 CO 0.12 0.04 0.17 -0.76 -3.33 0.00 0.00 175.10 171.34 2k6y s LEU 115 N 1.22 1.46 0.67 2.54 1.02 -0.80 -4.84 118.68 119.95 2k6y s LEU 115 Ca -0.08 -0.30 -0.15 0.00 0.02 0.00 0.00 54.13 53.62 2k6y s LEU 115 Cb -0.08 0.83 0.01 0.00 0.02 0.00 0.00 46.19 46.96 2k6y s LEU 115 CO -0.10 -0.47 1.12 -2.16 0.02 0.00 0.00 176.35 174.75 2k6y s PRO 116 N -2.04 2.70 -0.11 1.29 0.04 -1.26 0.07 135.00 135.69 2k6y s PRO 116 Ca -0.09 1.40 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 2k6y s PRO 116 Cb -0.04 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2k6y s PRO 116 CO -0.01 -1.33 0.95 0.08 0.04 0.00 0.00 177.00 176.73 2k6y s VAL 117 N -2.36 4.82 -0.00 -0.36 1.01 -1.15 -0.67 120.40 121.68 2k6y s VAL 117 Ca 0.67 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.57 2k6y s VAL 117 Cb -0.21 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.92 2k6y s VAL 117 CO 0.43 0.03 0.00 -0.70 0.00 0.00 0.00 175.10 174.86 2k6y s GLU 118 N 1.95 0.03 -0.06 2.72 2.12 -0.75 -4.26 118.70 120.45 2k6y s GLU 118 Ca 0.46 0.02 0.06 0.00 0.36 0.00 0.00 54.97 55.86 2k6y s GLU 118 Cb -0.18 -0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.12 2k6y s GLU 118 CO 0.17 -0.02 -0.24 0.00 -0.54 0.00 0.00 175.26 174.63 2k6y s ALA 119 N 0.18 2.06 0.00 6.30 0.00 -1.26 -3.53 121.76 125.51 2k6y s ALA 119 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2k6y s ALA 119 Cb -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2k6y s ALA 119 CO -0.01 0.38 0.00 -2.13 0.00 0.00 0.00 175.76 174.01