#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 -4.39 1.61 3.41 -1.26 -5.17 113.62 107.82 2k6y n SER 2 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2k6y n SER 2 Cb 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 2k6y n SER 2 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2k6y n PHE 3 N -0.50 -1.30 -3.74 7.33 -1.74 -1.26 -5.09 117.46 111.17 2k6y n PHE 3 Ca 0.00 0.01 -0.10 0.00 -0.56 0.00 0.00 57.45 56.80 2k6y n PHE 3 Cb 0.00 -1.65 -0.05 0.00 1.52 0.00 0.00 39.48 39.30 2k6y n PHE 3 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2k6y s THR 4 N -2.33 0.05 0.00 1.97 2.01 -1.26 -5.19 115.64 110.89 2k6y s THR 4 Ca 0.62 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.80 2k6y s THR 4 Cb -0.19 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.85 2k6y s THR 4 CO 0.66 -0.24 0.00 -0.62 -0.69 0.00 0.00 174.62 173.73 2k6y n GLU 5 N -0.27 3.76 -3.84 4.92 1.02 -1.26 -4.68 120.64 120.29 2k6y n GLU 5 Ca -0.12 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.96 2k6y n GLU 5 Cb 0.63 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.03 2k6y n GLU 5 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k6y s GLY 6 N 0.00 -0.10 -0.09 0.62 0.00 -1.26 -1.89 107.32 104.61 2k6y s GLY 6 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 44.72 44.21 2k6y s GLY 6 CO 0.00 -0.06 0.61 0.66 0.00 0.00 0.00 173.10 174.31 2k6y s TRP 7 N -3.73 -0.59 -0.24 1.90 -2.14 -0.63 -4.31 118.94 109.19 2k6y s TRP 7 Ca 0.11 1.12 -0.17 0.00 2.66 0.00 0.00 56.10 59.83 2k6y s TRP 7 Cb -0.05 0.32 -0.03 0.00 -3.10 0.00 0.00 33.47 30.61 2k6y s TRP 7 CO 0.06 -0.52 0.46 0.08 -2.66 0.00 0.00 176.95 174.38 2k6y s VAL 8 N -0.87 5.12 0.45 -0.66 1.01 0.01 -0.82 120.40 124.64 2k6y s VAL 8 Ca -0.09 0.78 0.15 0.00 0.00 0.00 0.00 61.98 62.82 2k6y s VAL 8 Cb -0.02 -3.78 0.19 0.00 0.00 0.00 0.00 36.38 32.77 2k6y s VAL 8 CO 0.07 0.15 2.00 -0.09 0.00 0.00 0.00 175.10 177.23 2k6y h ARG 9 N 7.85 0.00 0.00 2.72 2.43 -1.28 -1.15 114.38 124.95 2k6y h ARG 9 Ca -0.32 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.09 2k6y h ARG 9 Cb 1.15 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.64 2k6y h ARG 9 CO 0.70 0.17 -0.31 0.34 -1.51 0.00 0.00 179.97 179.36 2k6y n PHE 10 N -4.31 -2.97 0.00 2.20 -0.00 -1.18 -3.44 117.46 107.75 2k6y n PHE 10 Ca -0.02 1.07 0.00 0.00 -0.00 0.00 0.00 57.45 58.50 2k6y n PHE 10 Cb 0.24 -1.98 0.00 0.00 -0.00 0.00 0.00 39.48 37.74 2k6y n PHE 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2k6y n SER 11 N -2.94 0.00 0.00 -2.13 7.64 -1.26 -4.30 113.62 110.62 2k6y n SER 11 Ca 0.01 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.94 2k6y n SER 11 Cb 0.39 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.89 2k6y n SER 11 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k6y n PRO 12 N -0.19 0.71 0.00 1.43 -0.04 -1.26 -4.61 135.00 131.04 2k6y n PRO 12 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2k6y n PRO 12 Cb 0.00 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.31 0.56 0.00 0.55 0.00 -1.26 -4.95 105.19 100.39 2k6y n GLY 13 Ca 0.07 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.33 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 0.91 0.31 -4.32 1.61 -0.04 -1.26 -4.99 135.00 127.23 2k6y n PRO 14 Ca 0.00 0.03 -0.17 0.00 -0.04 0.00 0.00 63.50 63.32 2k6y n PRO 14 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2k6y n PRO 14 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2k6y s ASN 15 N -2.65 1.25 0.00 3.54 0.01 -1.26 -1.10 114.94 114.73 2k6y s ASN 15 Ca 0.23 -1.46 0.00 0.00 -0.71 0.00 0.00 52.86 50.93 2k6y s ASN 15 Cb 0.18 0.27 0.00 0.00 0.41 0.00 0.00 41.25 42.11 2k6y s ASN 15 CO 0.42 -0.80 0.00 0.00 -1.51 0.00 0.00 177.10 175.21 2k6y n ALA 16 N -0.50 0.00 -2.65 0.60 0.00 0.63 -4.55 120.51 114.04 2k6y n ALA 16 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 2k6y n ALA 16 Cb 0.66 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.00 0.25 0.11 0.00 0.00 -1.26 -0.97 121.76 118.90 2k6y s ALA 17 Ca 0.00 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 2k6y s ALA 17 Cb 0.00 0.99 0.03 0.00 0.00 0.00 0.00 23.12 24.15 2k6y s ALA 17 CO 0.00 -0.66 0.39 0.00 0.00 0.00 0.00 175.76 175.49 2k6y s ALA 18 N -4.02 -0.91 0.04 0.00 0.00 -0.78 -1.26 121.76 114.83 2k6y s ALA 18 Ca 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 2k6y s ALA 18 Cb 0.04 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 2k6y s ALA 18 CO 0.04 -0.61 0.02 0.71 0.00 0.00 0.00 175.76 175.92 2k6y s TYR 19 N -3.63 0.36 -0.05 0.00 2.02 -0.00 -1.69 117.35 114.35 2k6y s TYR 19 Ca 0.02 -0.78 -0.31 0.00 -0.37 0.00 0.00 57.07 55.63 2k6y s TYR 19 Cb 0.02 -0.26 0.12 0.00 -0.40 0.00 0.00 41.96 41.44 2k6y s TYR 19 CO -0.11 -0.35 1.25 -0.48 -1.57 0.00 0.00 175.55 174.29 2k6y s LEU 20 N -2.43 -0.08 -0.03 -1.29 0.05 -1.20 -1.61 118.68 112.08 2k6y s LEU 20 Ca -0.01 -0.12 0.05 0.00 0.05 0.00 0.00 54.13 54.11 2k6y s LEU 20 Cb 0.02 1.42 -0.01 0.00 -2.05 0.00 0.00 46.19 45.57 2k6y s LEU 20 CO -0.07 -0.31 -0.19 -0.89 -0.55 0.00 0.00 176.35 174.33 2k6y s THR 21 N -2.47 1.57 0.12 5.48 2.01 -0.79 -0.11 115.64 121.45 2k6y s THR 21 Ca 0.13 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.36 2k6y s THR 21 Cb 0.03 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 2k6y s THR 21 CO -0.04 0.45 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.00 2k6y s LEU 22 N -0.22 2.44 -0.06 4.42 2.96 -0.40 -4.92 118.68 122.90 2k6y s LEU 22 Ca 0.02 -0.87 0.02 0.00 -0.22 0.00 0.00 54.13 53.07 2k6y s LEU 22 Cb -0.10 -0.42 0.02 0.00 0.50 0.00 0.00 46.19 46.19 2k6y s LEU 22 CO 0.01 -0.23 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.10 2k6y s GLU 23 N -3.01 1.41 -0.50 1.98 2.02 -1.26 -0.61 118.70 118.73 2k6y s GLU 23 Ca 0.10 -0.31 -0.19 0.00 0.02 0.00 0.00 54.97 54.59 2k6y s GLU 23 Cb -0.02 -1.23 0.06 0.00 0.10 0.00 0.00 34.13 33.04 2k6y s GLU 23 CO 0.01 -0.02 0.60 1.21 0.02 0.00 0.00 175.26 177.08 2k6y s ASN 24 N 0.78 6.22 0.00 -0.19 2.47 -0.30 -4.94 114.94 118.98 2k6y s ASN 24 Ca -0.13 -0.92 0.28 0.00 0.42 0.00 0.00 52.86 52.51 2k6y s ASN 24 Cb -0.15 -2.28 1.03 0.00 -1.45 0.00 0.00 41.25 38.40 2k6y s ASN 24 CO 0.02 -0.85 1.77 -0.81 -3.72 0.00 0.00 177.10 173.51 2k6y n PRO 25 N 6.06 0.13 -2.12 0.43 -0.04 -1.26 -1.84 135.00 136.36 2k6y n PRO 25 Ca -0.07 -0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.04 2k6y n PRO 25 Cb 0.45 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 2k6y n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k6y s GLY 26 N -2.90 1.96 0.00 0.55 0.00 -1.26 -4.56 107.32 101.11 2k6y s GLY 26 Ca 0.16 0.17 0.14 0.00 0.00 0.00 0.00 44.72 45.19 2k6y s GLY 26 CO 0.57 0.46 1.37 1.22 0.00 0.00 0.00 173.10 176.71 2k6y n ASP 27 N -2.09 1.56 -4.54 1.64 9.92 -1.26 -1.88 116.55 119.90 2k6y n ASP 27 Ca 0.07 -1.86 -0.24 0.00 -0.53 0.00 0.00 54.79 52.23 2k6y n ASP 27 Cb 0.54 -0.16 -0.09 0.00 -0.64 0.00 0.00 41.12 40.77 2k6y n ASP 27 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2k6y s LEU 28 N -1.23 2.82 0.57 0.64 0.05 -1.26 -4.83 118.68 115.44 2k6y s LEU 28 Ca 0.25 -0.83 -0.14 0.00 0.05 0.00 0.00 54.13 53.46 2k6y s LEU 28 Cb 0.13 -1.38 -0.06 0.00 -2.05 0.00 0.00 46.19 42.84 2k6y s LEU 28 CO 0.19 0.04 1.01 -2.16 -0.55 0.00 0.00 176.35 174.88 2k6y s PRO 29 N -3.41 3.71 0.11 1.48 0.04 -1.26 -3.91 135.00 131.76 2k6y s PRO 29 Ca 0.29 0.89 0.04 0.00 0.04 0.00 0.00 61.00 62.27 2k6y s PRO 29 Cb -0.06 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 2k6y s PRO 29 CO 0.16 -0.47 0.06 -0.51 0.04 0.00 0.00 177.00 176.28 2k6y s LEU 30 N -4.61 3.64 -0.20 -3.56 1.43 -0.05 -4.92 118.68 110.41 2k6y s LEU 30 Ca 0.58 -0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2k6y s LEU 30 Cb -0.11 -2.32 0.05 0.00 0.03 0.00 0.00 46.19 43.84 2k6y s LEU 30 CO 0.42 0.14 -0.04 -0.60 0.23 0.00 0.00 176.35 176.50 2k6y s ARG 31 N -2.56 1.38 -0.19 1.70 6.06 -1.26 -0.11 118.95 123.97 2k6y s ARG 31 Ca 0.28 -0.68 -0.14 0.00 -2.50 0.00 0.00 55.73 52.69 2k6y s ARG 31 Cb -0.11 -2.25 -0.04 0.00 0.06 0.00 0.00 34.95 32.60 2k6y s ARG 31 CO 0.21 -0.53 0.31 -1.17 -2.50 0.00 0.00 175.30 171.62 2k6y s LEU 32 N 1.58 4.19 -0.00 -0.88 2.96 0.20 -0.92 118.68 125.81 2k6y s LEU 32 Ca -0.02 0.45 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 2k6y s LEU 32 Cb -0.17 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 2k6y s LEU 32 CO -0.07 0.03 0.13 1.33 -1.32 0.00 0.00 176.35 176.45 2k6y n VAL 33 N 3.97 0.00 -3.09 1.68 0.24 0.78 -0.53 118.33 121.38 2k6y n VAL 33 Ca -0.11 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2k6y n VAL 33 Cb 0.52 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 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 1.60 -0.94 3.15 7.63 0.00 -1.17 -4.74 105.19 110.72 2k6y n GLY 34 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 2k6y n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6y n ALA 35 N 0.00 0.66 -3.57 4.61 0.00 -1.26 -1.46 120.51 119.49 2k6y n ALA 35 Ca 0.00 -1.93 -0.16 0.00 0.00 0.00 0.00 53.44 51.35 2k6y n ALA 35 Cb 0.00 1.49 -0.06 0.00 0.00 0.00 0.00 19.45 20.87 2k6y n ALA 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k6y s ARG 36 N -3.37 0.95 0.07 0.00 6.06 -0.87 -4.81 118.95 116.99 2k6y s ARG 36 Ca 0.34 0.61 -0.25 0.00 -2.50 0.00 0.00 55.73 53.93 2k6y s ARG 36 Cb 0.02 0.46 0.06 0.00 0.06 0.00 0.00 34.95 35.55 2k6y s ARG 36 CO 0.24 -0.22 0.59 -0.08 -2.50 0.00 0.00 175.30 173.33 2k6y s THR 37 N -0.44 0.01 0.17 4.11 -1.32 -1.26 -0.42 115.64 116.48 2k6y s THR 37 Ca -0.06 -0.09 -0.05 0.00 -1.21 0.00 0.00 61.69 60.28 2k6y s THR 37 Cb -0.02 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.89 2k6y s THR 37 CO 0.06 -0.05 1.46 1.55 -2.21 0.00 0.00 174.62 175.42 2k6y h PRO 38 N 2.48 0.63 0.00 7.08 0.13 -1.99 -3.35 132.00 136.98 2k6y h PRO 38 Ca -0.31 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2k6y h PRO 38 Cb 1.24 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2k6y h PRO 38 CO 0.40 1.04 -0.08 1.33 -0.23 0.00 0.00 178.00 180.45 2k6y n VAL 39 N -3.95 0.10 -4.15 1.56 0.24 -1.26 -4.67 118.33 106.19 2k6y n VAL 39 Ca -0.04 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.34 62.11 2k6y n VAL 39 Cb 0.64 -0.41 -0.10 0.00 -1.47 0.00 0.00 33.84 32.50 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 -3.02 0.86 0.00 2.33 0.00 -1.26 -3.36 121.76 117.31 2k6y s ALA 40 Ca 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2k6y s ALA 40 Cb 0.18 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.89 2k6y s ALA 40 CO 0.57 -0.41 0.00 -1.91 0.00 0.00 0.00 175.76 174.01 2k6y n GLU 41 N -0.06 0.00 -2.54 0.00 4.07 -0.03 -4.54 120.64 117.53 2k6y n GLU 41 Ca -0.09 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.60 2k6y n GLU 41 Cb 0.63 -0.08 -0.03 0.00 -0.06 0.00 0.00 31.44 31.90 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 -0.22 3.39 -0.09 5.31 3.52 -0.52 -4.89 118.95 125.45 2k6y s ARG 42 Ca 0.00 0.15 -0.00 0.00 -0.13 0.00 0.00 55.73 55.74 2k6y s ARG 42 Cb 0.00 -4.08 -0.03 0.00 -1.56 0.00 0.00 34.95 29.29 2k6y s ARG 42 CO 0.00 -1.85 -0.06 0.54 -0.81 0.00 0.00 175.30 173.12 2k6y s VAL 43 N 5.34 3.74 -0.04 7.11 0.11 -1.26 -0.24 120.40 135.16 2k6y s VAL 43 Ca 0.42 -0.45 -0.01 0.00 -2.93 0.00 0.00 61.98 59.01 2k6y s VAL 43 Cb -0.08 -2.55 0.03 0.00 -1.53 0.00 0.00 36.38 32.25 2k6y s VAL 43 CO 0.23 0.58 0.07 -1.61 -3.33 0.00 0.00 175.10 171.04 2k6y s GLU 44 N -0.54 -0.00 -0.17 1.54 2.02 -0.42 -4.71 118.70 116.42 2k6y s GLU 44 Ca 0.08 0.28 -0.28 0.00 0.02 0.00 0.00 54.97 55.08 2k6y s GLU 44 Cb -0.12 -0.26 -0.01 0.00 0.10 0.00 0.00 34.13 33.85 2k6y s GLU 44 CO 0.02 -0.19 0.96 -1.17 0.02 0.00 0.00 175.26 174.89 2k6y s LEU 45 N 1.28 4.17 0.10 1.80 0.20 -1.26 -0.76 118.68 124.21 2k6y s LEU 45 Ca -0.07 1.35 0.03 0.00 0.69 0.00 0.00 54.13 56.13 2k6y s LEU 45 Cb -0.12 -3.43 -0.04 0.00 -0.43 0.00 0.00 46.19 42.16 2k6y s LEU 45 CO -0.04 -0.51 0.11 -1.00 -0.29 0.00 0.00 176.35 174.62 2k6y s HIS 46 N 2.48 3.21 0.58 5.38 3.76 0.40 -0.76 115.29 130.34 2k6y s HIS 46 Ca 0.43 0.07 -0.04 0.00 -0.15 0.00 0.00 55.06 55.37 2k6y s HIS 46 Cb -0.17 -1.61 0.02 0.00 1.11 0.00 0.00 32.58 31.93 2k6y s HIS 46 CO 0.12 0.53 0.86 -1.83 -0.85 0.00 0.00 174.74 173.56 2k6y s GLU 47 N -2.61 2.82 -0.21 1.40 -1.05 0.23 -1.29 118.70 117.99 2k6y s GLU 47 Ca 0.30 -0.20 -0.04 0.00 -0.15 0.00 0.00 54.97 54.88 2k6y s GLU 47 Cb -0.12 -2.33 0.10 0.00 -0.44 0.00 0.00 34.13 31.35 2k6y s GLU 47 CO 0.23 -0.69 0.31 0.99 0.95 0.00 0.00 175.26 177.05 2k6y s THR 48 N -2.92 -0.49 0.37 1.83 2.01 0.59 -2.93 115.64 114.09 2k6y s THR 48 Ca 0.54 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.59 2k6y s THR 48 Cb -0.10 -0.69 -0.06 0.00 0.01 0.00 0.00 72.50 71.66 2k6y s THR 48 CO 0.43 -0.08 0.05 0.72 -0.69 0.00 0.00 174.62 175.05 2k6y s PHE 49 N 2.47 2.06 -0.17 4.92 -0.12 -0.23 -3.51 117.98 123.39 2k6y s PHE 49 Ca 0.07 -0.93 0.01 0.00 -0.05 0.00 0.00 56.93 56.02 2k6y s PHE 49 Cb -0.15 -1.40 0.03 0.00 -0.63 0.00 0.00 43.02 40.87 2k6y s PHE 49 CO -0.13 0.08 -0.13 -1.64 -0.05 0.00 0.00 175.22 173.35 2k6y s MET 50 N -3.83 2.23 0.12 1.99 -1.94 -1.26 -1.77 119.30 114.84 2k6y s MET 50 Ca 0.33 -0.66 -0.15 0.00 -1.71 0.00 0.00 55.69 53.49 2k6y s MET 50 Cb 0.08 -2.22 0.03 0.00 2.01 0.00 0.00 34.83 34.73 2k6y s MET 50 CO 0.15 -0.30 0.38 0.50 -0.01 0.00 0.00 175.02 175.75 2k6y s ARG 51 N 1.45 1.04 0.55 2.03 3.52 -0.34 -4.93 118.95 122.27 2k6y s ARG 51 Ca 0.03 -0.71 -0.21 0.00 -0.13 0.00 0.00 55.73 54.71 2k6y s ARG 51 Cb -0.14 0.46 -0.05 0.00 -1.56 0.00 0.00 34.95 33.66 2k6y s ARG 51 CO -0.10 -0.40 1.26 -1.21 -0.81 0.00 0.00 175.30 174.04 2k6y s GLU 52 N -3.74 3.19 0.00 5.12 8.01 -1.26 -0.43 118.70 129.59 2k6y s GLU 52 Ca 0.03 1.97 0.00 0.00 0.01 0.00 0.00 54.97 56.98 2k6y s GLU 52 Cb 0.02 -2.15 0.00 0.00 -4.31 0.00 0.00 34.13 27.69 2k6y s GLU 52 CO -0.11 -1.07 0.00 1.55 0.01 0.00 0.00 175.26 175.63 2k6y n VAL 53 N -1.16 0.00 -2.29 2.63 3.14 -0.26 -4.85 118.33 115.54 2k6y n VAL 53 Ca 0.11 -0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.45 2k6y n VAL 53 Cb 0.47 0.15 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 2k6y n VAL 53 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2k6y n GLU 54 N -0.13 0.45 0.00 1.45 2.13 -1.26 -4.92 120.64 118.36 2k6y n GLU 54 Ca 0.00 -1.35 0.00 0.00 0.66 0.00 0.00 57.16 56.47 2k6y n GLU 54 Cb 0.00 0.28 0.00 0.00 0.27 0.00 0.00 31.44 31.99 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 -0.36 1.61 3.75 8.31 0.00 -1.26 -4.96 105.19 112.29 2k6y n GLY 55 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 4.82 0.36 1.61 1.02 -1.26 -4.91 119.74 121.37 2k6y s LYS 56 Ca 0.00 1.46 -0.25 0.00 0.02 0.00 0.00 55.97 57.19 2k6y s LYS 56 Cb 0.00 -3.29 -0.09 0.00 -0.52 0.00 0.00 37.83 33.93 2k6y s LYS 56 CO 0.00 0.49 1.03 0.15 -0.92 0.00 0.00 175.35 176.09 2k6y s LYS 57 N -1.03 4.36 0.13 1.68 1.02 -1.26 -1.10 119.74 123.53 2k6y s LYS 57 Ca 0.41 1.50 -0.02 0.00 0.02 0.00 0.00 55.97 57.88 2k6y s LYS 57 Cb -0.25 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 2k6y s LYS 57 CO 0.31 0.03 0.09 0.54 -0.92 0.00 0.00 175.35 175.40 2k6y s VAL 58 N -1.57 0.11 0.53 3.17 0.11 0.43 -4.92 120.40 118.26 2k6y s VAL 58 Ca 0.54 -1.80 -0.17 0.00 -2.93 0.00 0.00 61.98 57.62 2k6y s VAL 58 Cb -0.23 -1.95 -0.07 0.00 -1.53 0.00 0.00 36.38 32.60 2k6y s VAL 58 CO 0.28 -0.48 1.00 -0.04 -3.33 0.00 0.00 175.10 172.53 2k6y s MET 59 N -4.02 3.80 0.11 1.54 -1.94 -1.26 -1.20 119.30 116.33 2k6y s MET 59 Ca 0.21 1.03 -0.26 0.00 -1.71 0.00 0.00 55.69 54.97 2k6y s MET 59 Cb 0.07 -2.11 0.07 0.00 2.01 0.00 0.00 34.83 34.87 2k6y s MET 59 CO 0.00 -0.40 0.91 0.20 -0.01 0.00 0.00 175.02 175.73 2k6y s GLY 60 N -2.93 -0.31 0.03 -0.03 0.00 -0.73 -4.94 107.32 98.41 2k6y s GLY 60 Ca 0.60 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.73 2k6y s GLY 60 CO 0.32 0.11 -0.06 1.06 0.00 0.00 0.00 173.10 174.52 2k6y s MET 61 N -3.28 0.44 -0.00 2.90 -1.94 -1.26 -1.07 119.30 115.07 2k6y s MET 61 Ca 0.09 -0.69 -0.27 0.00 -1.71 0.00 0.00 55.69 53.11 2k6y s MET 61 Cb -0.01 -0.13 0.06 0.00 2.01 0.00 0.00 34.83 36.76 2k6y s MET 61 CO -0.02 0.01 0.62 1.03 -0.01 0.00 0.00 175.02 176.65 2k6y s ARG 62 N -1.50 1.05 0.51 2.03 0.52 -1.15 -5.01 118.95 115.40 2k6y s ARG 62 Ca -0.12 0.05 -0.21 0.00 -0.52 0.00 0.00 55.73 54.93 2k6y s ARG 62 Cb -0.10 0.49 -0.06 0.00 0.52 0.00 0.00 34.95 35.80 2k6y s ARG 62 CO -0.00 -0.36 1.16 -1.25 0.02 0.00 0.00 175.30 174.87 2k6y s PRO 63 N -1.73 3.49 0.13 3.54 0.04 -1.26 -0.60 135.00 138.62 2k6y s PRO 63 Ca -0.09 1.72 0.09 0.00 0.04 0.00 0.00 61.00 62.76 2k6y s PRO 63 Cb -0.01 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2k6y s PRO 63 CO 0.05 -0.76 -0.20 0.14 0.04 0.00 0.00 177.00 176.27 2k6y s VAL 64 N -1.64 1.81 -1.32 -0.36 -7.23 0.06 -4.83 120.40 106.89 2k6y s VAL 64 Ca 0.69 -1.73 0.17 0.00 -1.81 0.00 0.00 61.98 59.30 2k6y s VAL 64 Cb -0.27 -1.72 0.25 0.00 0.56 0.00 0.00 36.38 35.20 2k6y s VAL 64 CO 0.32 -0.16 1.50 -0.81 -0.31 0.00 0.00 175.10 175.64 2k6y n PRO 65 N 0.71 0.18 -3.61 4.82 -0.04 -1.26 -4.62 135.00 131.18 2k6y n PRO 65 Ca -0.17 0.15 -0.04 0.00 -0.04 0.00 0.00 63.50 63.41 2k6y n PRO 65 Cb 0.55 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.68 -0.09 0.50 0.54 -0.12 -1.26 -4.81 117.98 110.06 2k6y s PHE 66 Ca 0.14 0.06 0.06 0.00 -0.05 0.00 0.00 56.93 57.13 2k6y s PHE 66 Cb 0.11 0.51 0.01 0.00 -0.63 0.00 0.00 43.02 43.02 2k6y s PHE 66 CO 0.27 -0.14 0.32 -0.51 -0.05 0.00 0.00 175.22 175.10 2k6y s LEU 67 N -2.11 2.84 0.23 -1.99 1.43 0.31 -5.00 118.68 114.38 2k6y s LEU 67 Ca 0.10 -1.19 -0.18 0.00 -1.03 0.00 0.00 54.13 51.84 2k6y s LEU 67 Cb -0.01 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.92 2k6y s LEU 67 CO -0.04 -0.91 0.58 -1.83 0.23 0.00 0.00 176.35 174.38 2k6y s GLU 68 N -4.15 1.54 -0.06 1.70 -1.05 -1.26 -0.63 118.70 114.79 2k6y s GLU 68 Ca 0.35 -0.96 -0.05 0.00 -0.15 0.00 0.00 54.97 54.16 2k6y s GLU 68 Cb -0.01 0.54 0.02 0.00 -0.44 0.00 0.00 34.13 34.25 2k6y s GLU 68 CO 0.21 -0.67 0.16 0.08 0.95 0.00 0.00 175.26 175.98 2k6y s VAL 69 N -3.91 -0.01 0.94 1.83 1.01 0.85 -4.93 120.40 116.18 2k6y s VAL 69 Ca 0.12 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 2k6y s VAL 69 Cb -0.02 -0.23 0.15 0.00 0.00 0.00 0.00 36.38 36.28 2k6y s VAL 69 CO 0.02 0.02 1.10 -2.16 0.00 0.00 0.00 175.10 174.08 2k6y s PRO 70 N 0.43 0.90 0.48 2.72 0.04 -1.26 -0.88 135.00 137.43 2k6y s PRO 70 Ca -0.03 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.41 2k6y s PRO 70 Cb -0.04 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 2k6y s PRO 70 CO -0.02 -2.44 1.38 -0.35 0.04 0.00 0.00 177.00 175.62 2k6y n PRO 71 N -3.99 2.02 -0.80 0.56 -0.04 -1.25 -2.60 135.00 128.91 2k6y n PRO 71 Ca 0.06 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 2k6y n PRO 71 Cb 0.56 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 2k6y n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k6y n LYS 72 N -0.43 -0.57 -2.65 0.54 4.76 -0.77 -4.93 118.16 114.11 2k6y n LYS 72 Ca 0.07 0.14 -0.43 0.00 -2.87 0.00 0.00 58.31 55.22 2k6y n LYS 72 Cb 0.42 -4.08 -0.02 0.00 -1.84 0.00 0.00 35.03 29.51 2k6y n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k6y s GLY 73 N -2.00 1.47 -0.29 0.72 0.00 -0.96 -4.78 107.32 101.47 2k6y s GLY 73 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 44.72 44.29 2k6y s GLY 73 CO 0.00 2.29 0.51 1.09 0.00 0.00 0.00 173.10 176.99 2k6y s ARG 74 N 3.91 3.93 -0.03 2.90 1.04 -1.26 -1.14 118.95 128.29 2k6y s ARG 74 Ca 0.45 0.16 -0.10 0.00 -1.04 0.00 0.00 55.73 55.19 2k6y s ARG 74 Cb -0.10 -3.70 0.02 0.00 -2.04 0.00 0.00 34.95 29.12 2k6y s ARG 74 CO 0.21 -0.44 0.23 0.14 -0.04 0.00 0.00 175.30 175.40 2k6y s VAL 75 N 2.34 0.05 -0.08 4.99 -7.23 0.22 -4.99 120.40 115.69 2k6y s VAL 75 Ca 0.20 -0.41 0.04 0.00 -1.81 0.00 0.00 61.98 60.00 2k6y s VAL 75 Cb -0.15 -0.48 -0.00 0.00 0.56 0.00 0.00 36.38 36.31 2k6y s VAL 75 CO 0.11 -0.23 -0.23 -1.61 -0.31 0.00 0.00 175.10 172.83 2k6y s GLU 76 N -0.92 2.73 -0.87 4.82 8.01 -1.26 -1.28 118.70 129.94 2k6y s GLU 76 Ca -0.10 -0.83 -0.22 0.00 0.01 0.00 0.00 54.97 53.83 2k6y s GLU 76 Cb -0.05 -2.14 -0.14 0.00 -4.31 0.00 0.00 34.13 27.49 2k6y s GLU 76 CO 0.02 0.22 1.94 1.28 0.01 0.00 0.00 175.26 178.73 2k6y n LEU 77 N 3.38 4.06 -4.78 1.80 4.32 0.84 -4.67 117.00 121.95 2k6y n LEU 77 Ca -0.19 -3.00 -0.37 0.00 -0.02 0.00 0.00 56.01 52.43 2k6y n LEU 77 Cb 0.53 -1.23 -0.05 0.00 -1.62 0.00 0.00 43.42 41.04 2k6y n LEU 77 CO 0.27 -0.51 0.69 -1.59 -1.22 0.00 0.00 177.39 175.03 2k6y s LYS 78 N 5.13 4.47 0.62 3.23 -2.85 -0.98 -3.27 119.74 126.09 2k6y s LYS 78 Ca 0.59 1.44 0.36 0.00 -1.00 0.00 0.00 55.97 57.35 2k6y s LYS 78 Cb 0.12 -2.77 2.07 0.00 -2.06 0.00 0.00 37.83 35.18 2k6y s LYS 78 CO 0.11 0.15 2.30 -1.00 0.10 0.00 0.00 175.35 177.02 2k6y h PRO 79 N 3.06 0.00 -0.95 1.78 0.13 -1.94 -0.08 132.00 134.00 2k6y h PRO 79 Ca -0.47 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.02 2k6y h PRO 79 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 2k6y h PRO 79 CO 0.64 0.00 0.63 0.41 -0.23 0.00 0.00 178.00 179.46 2k6y n GLY 80 N -1.21 5.79 2.00 1.56 0.00 -1.26 -4.73 105.19 107.33 2k6y n GLY 80 Ca -0.03 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.92 -1.64 3.42 -0.02 0.00 -0.19 -4.87 105.19 100.96 2k6y n GLY 81 Ca 0.60 0.35 -0.14 0.00 0.00 0.00 0.00 46.02 46.82 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 -2.00 -0.53 0.24 1.61 2.02 -0.33 -0.30 117.35 118.06 2k6y s TYR 82 Ca 0.00 1.15 -0.21 0.00 -0.37 0.00 0.00 57.07 57.64 2k6y s TYR 82 Cb 0.00 0.23 0.05 0.00 -0.40 0.00 0.00 41.96 41.84 2k6y s TYR 82 CO 0.00 -0.38 0.89 -3.38 -1.57 0.00 0.00 175.55 171.11 2k6y s HIS 83 N -0.36 -0.04 -0.11 2.71 -3.43 -0.41 -2.32 115.29 111.32 2k6y s HIS 83 Ca -0.05 -0.40 -0.02 0.00 -0.80 0.00 0.00 55.06 53.79 2k6y s HIS 83 Cb -0.03 0.71 -0.03 0.00 -1.43 0.00 0.00 32.58 31.80 2k6y s HIS 83 CO 0.04 -1.11 -0.04 -0.06 -2.00 0.00 0.00 174.74 171.57 2k6y s PHE 84 N -2.97 3.03 0.16 0.38 0.08 -0.68 -0.45 117.98 117.52 2k6y s PHE 84 Ca 0.15 -0.08 -0.24 0.00 0.12 0.00 0.00 56.93 56.88 2k6y s PHE 84 Cb -0.04 -1.84 -0.08 0.00 -0.57 0.00 0.00 43.02 40.49 2k6y s PHE 84 CO 0.06 0.20 0.74 -1.64 -0.10 0.00 0.00 175.22 174.48 2k6y s MET 85 N -0.30 4.47 -0.23 0.44 -1.94 0.06 -1.87 119.30 119.94 2k6y s MET 85 Ca 0.05 1.05 0.02 0.00 -1.71 0.00 0.00 55.69 55.10 2k6y s MET 85 Cb -0.12 -3.20 0.05 0.00 2.01 0.00 0.00 34.83 33.57 2k6y s MET 85 CO 0.02 0.55 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.98 2k6y s LEU 86 N -1.27 2.75 -0.05 -0.03 1.43 -0.14 -1.30 118.68 120.07 2k6y s LEU 86 Ca 0.36 -1.12 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 2k6y s LEU 86 Cb -0.22 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2k6y s LEU 86 CO 0.24 -0.17 -0.08 -0.76 0.23 0.00 0.00 176.35 175.81 2k6y s LEU 87 N 1.28 3.09 -0.23 1.79 2.01 0.67 -0.27 118.68 127.03 2k6y s LEU 87 Ca -0.05 -0.08 -0.02 0.00 0.01 0.00 0.00 54.13 54.00 2k6y s LEU 87 Cb -0.18 -1.69 0.00 0.00 0.01 0.00 0.00 46.19 44.33 2k6y s LEU 87 CO -0.07 0.34 0.23 0.61 1.01 0.00 0.00 176.35 178.48 2k6y n GLY 88 N 2.08 -0.71 3.57 -3.19 0.00 -0.83 -1.44 105.19 104.67 2k6y n GLY 88 Ca -0.17 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2k6y n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k6y s LEU 89 N -2.36 3.38 -0.01 0.99 1.43 -0.26 -0.85 118.68 120.99 2k6y s LEU 89 Ca 0.03 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 2k6y s LEU 89 Cb -0.01 -2.96 0.10 0.00 0.03 0.00 0.00 46.19 43.35 2k6y s LEU 89 CO 0.26 -1.88 0.92 2.29 0.23 0.00 0.00 176.35 178.18 2k6y n LYS 90 N 8.79 1.37 -3.85 1.70 2.85 -1.21 -4.82 118.16 122.99 2k6y n LYS 90 Ca 0.15 -0.41 -0.09 0.00 -1.05 0.00 0.00 58.31 56.91 2k6y n LYS 90 Cb 0.50 -1.29 -0.07 0.00 -0.65 0.00 0.00 35.03 33.51 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 -1.62 0.82 0.81 -1.58 0.52 -1.26 -5.00 118.95 111.65 2k6y s ARG 91 Ca 0.07 -0.89 -0.11 0.00 -0.52 0.00 0.00 55.73 54.28 2k6y s ARG 91 Cb 0.05 0.34 0.08 0.00 0.52 0.00 0.00 34.95 35.93 2k6y s ARG 91 CO 0.04 -0.26 1.09 -1.25 0.02 0.00 0.00 175.30 174.94 2k6y s PRO 92 N -3.63 1.99 0.10 3.54 0.04 -1.26 -4.89 135.00 130.89 2k6y s PRO 92 Ca 0.03 0.84 -0.03 0.00 0.04 0.00 0.00 61.00 61.88 2k6y s PRO 92 Cb 0.04 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2k6y s PRO 92 CO -0.10 -1.74 0.07 -0.51 0.04 0.00 0.00 177.00 174.76 2k6y s LEU 93 N -5.91 1.90 -0.29 -3.56 1.02 -1.26 -5.03 118.68 105.56 2k6y s LEU 93 Ca 0.61 -1.01 -0.01 0.00 0.02 0.00 0.00 54.13 53.75 2k6y s LEU 93 Cb -0.16 0.47 0.18 0.00 0.02 0.00 0.00 46.19 46.70 2k6y s LEU 93 CO 0.55 -0.70 0.55 -0.75 0.02 0.00 0.00 176.35 176.03 2k6y s LYS 94 N -3.96 0.52 0.08 1.70 2.36 -1.26 -4.93 119.74 114.24 2k6y s LYS 94 Ca 0.14 0.87 -0.33 0.00 -2.55 0.00 0.00 55.97 54.09 2k6y s LYS 94 Cb 0.07 0.32 -0.13 0.00 -1.05 0.00 0.00 37.83 37.04 2k6y s LYS 94 CO -0.05 -0.66 1.72 0.00 1.55 0.00 0.00 175.35 177.91 2k6y n ALA 95 N 5.41 1.37 0.00 3.13 0.00 -1.26 -1.68 120.51 127.48 2k6y n ALA 95 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2k6y n ALA 95 Cb 0.51 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 3.87 0.98 0.33 0.00 0.00 -0.66 -4.98 105.19 104.72 2k6y n GLY 96 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 2k6y n GLY 96 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k6y n GLU 97 N -1.57 1.30 -4.43 1.61 0.28 -0.68 -5.01 120.64 112.14 2k6y n GLU 97 Ca 0.00 -0.28 -0.21 0.00 -0.16 0.00 0.00 57.16 56.50 2k6y n GLU 97 Cb 0.00 0.02 -0.10 0.00 1.43 0.00 0.00 31.44 32.78 2k6y n GLU 97 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2k6y s GLU 98 N -2.20 1.55 -0.09 3.44 -1.05 -1.26 -0.28 118.70 118.81 2k6y s GLU 98 Ca 0.03 -1.79 -0.03 0.00 -0.15 0.00 0.00 54.97 53.03 2k6y s GLU 98 Cb -0.00 -1.13 0.04 0.00 -0.44 0.00 0.00 34.13 32.60 2k6y s GLU 98 CO 0.02 0.02 0.06 0.08 0.95 0.00 0.00 175.26 176.40 2k6y s VAL 99 N -3.03 -0.05 0.33 1.83 1.01 0.65 -4.79 120.40 116.34 2k6y s VAL 99 Ca 0.30 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.22 2k6y s VAL 99 Cb 0.04 -0.33 -0.10 0.00 0.00 0.00 0.00 36.38 35.99 2k6y s VAL 99 CO 0.12 0.04 0.95 -1.83 0.00 0.00 0.00 175.10 174.37 2k6y s GLU 100 N 2.14 4.57 -0.22 2.72 4.04 -1.26 -1.88 118.70 128.81 2k6y s GLU 100 Ca 0.04 1.32 -0.15 0.00 0.04 0.00 0.00 54.97 56.23 2k6y s GLU 100 Cb -0.13 -2.77 0.06 0.00 0.02 0.00 0.00 34.13 31.31 2k6y s GLU 100 CO -0.05 0.26 0.55 -1.17 -1.84 0.00 0.00 175.26 173.01 2k6y s LEU 101 N -2.10 -0.40 -0.64 1.83 0.20 0.22 -4.03 118.68 113.75 2k6y s LEU 101 Ca 0.51 1.18 -0.24 0.00 0.69 0.00 0.00 54.13 56.27 2k6y s LEU 101 Cb -0.18 1.87 0.06 0.00 -0.43 0.00 0.00 46.19 47.51 2k6y s LEU 101 CO 0.23 -0.21 1.00 -1.81 -0.29 0.00 0.00 176.35 175.28 2k6y s ASP 102 N 1.16 6.21 -0.43 3.68 1.01 0.43 -0.20 116.67 128.54 2k6y s ASP 102 Ca -0.07 -0.75 -0.28 0.00 0.71 0.00 0.00 52.55 52.16 2k6y s ASP 102 Cb -0.06 -2.44 0.03 0.00 1.01 0.00 0.00 42.92 41.45 2k6y s ASP 102 CO -0.11 -1.44 1.08 -0.76 0.21 0.00 0.00 175.17 174.15 2k6y s LEU 103 N 4.27 3.77 -0.16 1.23 1.43 -0.78 -2.06 118.68 126.38 2k6y s LEU 103 Ca 0.26 0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 53.71 2k6y s LEU 103 Cb -0.15 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 2k6y s LEU 103 CO 0.13 -1.12 0.61 -0.76 0.23 0.00 0.00 176.35 175.45 2k6y s LEU 104 N 4.12 4.20 0.16 1.79 1.43 -0.53 -1.78 118.68 128.06 2k6y s LEU 104 Ca 0.45 0.88 0.09 0.00 -1.03 0.00 0.00 54.13 54.52 2k6y s LEU 104 Cb -0.09 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2k6y s LEU 104 CO 0.27 -0.20 -0.12 -0.36 0.23 0.00 0.00 176.35 176.17 2k6y s PHE 105 N 1.49 2.61 0.14 0.29 0.40 -0.88 -0.16 117.98 121.87 2k6y s PHE 105 Ca 0.30 -0.23 -0.31 0.00 -0.60 0.00 0.00 56.93 56.08 2k6y s PHE 105 Cb -0.16 -1.31 -0.10 0.00 0.51 0.00 0.00 43.02 41.97 2k6y s PHE 105 CO 0.12 0.48 1.59 0.00 0.70 0.00 0.00 175.22 178.10 2k6y s ALA 106 N -1.54 3.75 0.00 5.36 0.00 -0.10 -4.39 121.76 124.84 2k6y s ALA 106 Ca 0.23 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2k6y s ALA 106 Cb -0.09 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2k6y s ALA 106 CO 0.14 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.45 2k6y n GLY 107 N 3.81 -0.83 2.21 0.00 0.00 -1.26 -4.62 105.19 104.49 2k6y n GLY 107 Ca 0.14 -1.33 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 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 3.78 3.06 -0.02 0.00 -1.26 -4.87 105.19 105.88 2k6y n GLY 108 Ca 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 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 0.89 0.37 -0.22 1.61 -0.14 -1.26 -5.11 119.74 115.87 2k6y s LYS 109 Ca 0.66 -0.26 -0.14 0.00 -1.36 0.00 0.00 55.97 54.87 2k6y s LYS 109 Cb 0.27 0.15 0.07 0.00 -1.68 0.00 0.00 37.83 36.64 2k6y s LYS 109 CO -0.05 -0.08 0.56 0.54 -0.76 0.00 0.00 175.35 175.55 2k6y s VAL 110 N -0.98 -0.01 -0.33 3.17 0.11 -1.26 -2.07 120.40 119.02 2k6y s VAL 110 Ca -0.11 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2k6y s VAL 110 Cb -0.06 -0.81 0.09 0.00 -1.53 0.00 0.00 36.38 34.08 2k6y s VAL 110 CO 0.01 0.02 0.04 -0.76 -3.33 0.00 0.00 175.10 171.07 2k6y s LEU 111 N 1.31 4.62 0.01 2.54 2.01 -0.73 -4.95 118.68 123.49 2k6y s LEU 111 Ca -0.08 -2.04 -0.23 0.00 0.01 0.00 0.00 54.13 51.79 2k6y s LEU 111 Cb -0.06 -1.64 -0.05 0.00 0.01 0.00 0.00 46.19 44.45 2k6y s LEU 111 CO -0.13 -0.37 0.71 -1.59 1.01 0.00 0.00 176.35 175.97 2k6y s LYS 112 N 0.95 4.43 0.03 1.70 -2.85 -1.26 -1.87 119.74 120.87 2k6y s LYS 112 Ca 0.08 0.93 -0.02 0.00 -1.00 0.00 0.00 55.97 55.97 2k6y s LYS 112 Cb -0.19 -3.38 -0.02 0.00 -2.06 0.00 0.00 37.83 32.18 2k6y s LYS 112 CO -0.07 0.25 0.00 0.14 0.10 0.00 0.00 175.35 175.77 2k6y s VAL 113 N 0.11 0.14 -0.12 1.79 -7.23 0.72 -4.93 120.40 110.89 2k6y s VAL 113 Ca 0.36 -1.16 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 2k6y s VAL 113 Cb -0.19 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 36.04 2k6y s VAL 113 CO 0.20 -0.64 -0.21 0.54 -0.31 0.00 0.00 175.10 174.68 2k6y s VAL 114 N -2.30 2.25 0.19 1.32 0.11 -1.26 -0.61 120.40 120.10 2k6y s VAL 114 Ca -0.08 -0.94 0.10 0.00 -2.93 0.00 0.00 61.98 58.13 2k6y s VAL 114 Cb -0.04 -1.89 -0.04 0.00 -1.53 0.00 0.00 36.38 32.88 2k6y s VAL 114 CO -0.04 0.55 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.31 2k6y s LEU 115 N 0.49 2.46 0.65 2.54 2.01 -0.79 -4.96 118.68 121.08 2k6y s LEU 115 Ca -0.14 -0.89 -0.17 0.00 0.01 0.00 0.00 54.13 52.95 2k6y s LEU 115 Cb -0.17 -1.03 -0.00 0.00 0.01 0.00 0.00 46.19 45.00 2k6y s LEU 115 CO 0.05 0.05 1.19 -2.16 1.01 0.00 0.00 176.35 176.50 2k6y s PRO 116 N -2.83 2.64 -0.32 1.29 0.04 -1.26 -0.25 135.00 134.30 2k6y s PRO 116 Ca 0.20 1.73 -0.26 0.00 0.04 0.00 0.00 61.00 62.71 2k6y s PRO 116 Cb -0.07 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2k6y s PRO 116 CO 0.09 -1.44 0.92 0.08 0.04 0.00 0.00 177.00 176.69 2k6y s VAL 117 N -1.86 4.65 -0.14 -0.36 1.01 0.61 -0.81 120.40 123.50 2k6y s VAL 117 Ca 0.74 1.40 -0.00 0.00 0.00 0.00 0.00 61.98 64.13 2k6y s VAL 117 Cb -0.28 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 31.84 2k6y s VAL 117 CO 0.39 -0.39 -0.09 -0.70 0.00 0.00 0.00 175.10 174.31 2k6y s GLU 118 N 3.31 1.72 -0.19 2.72 2.12 -0.44 -1.66 118.70 126.29 2k6y s GLU 118 Ca 0.38 -0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.02 2k6y s GLU 118 Cb -0.13 -1.83 -0.02 0.00 0.26 0.00 0.00 34.13 32.42 2k6y s GLU 118 CO 0.15 -0.30 1.36 0.00 -0.54 0.00 0.00 175.26 175.93 2k6y s ALA 119 N 1.63 3.55 0.00 6.30 0.00 -1.26 -3.80 121.76 128.17 2k6y s ALA 119 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2k6y s ALA 119 Cb -0.13 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2k6y s ALA 119 CO -0.09 -1.42 0.05 0.54 0.00 0.00 0.00 175.76 174.84