#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 -0.52 -3.97 1.61 7.64 -1.26 -5.07 113.62 112.05 2k6y n SER 2 Ca 0.00 0.59 -0.12 0.00 1.01 0.00 0.00 58.87 60.35 2k6y n SER 2 Cb 0.00 -1.30 -0.13 0.00 -1.01 0.00 0.00 64.21 61.77 2k6y n SER 2 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2k6y s PHE 3 N -1.95 0.34 0.00 1.43 0.08 -1.26 -5.02 117.98 111.60 2k6y s PHE 3 Ca 0.68 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.45 2k6y s PHE 3 Cb -0.33 -0.22 0.00 0.00 -0.57 0.00 0.00 43.02 41.90 2k6y s PHE 3 CO 0.56 -0.07 0.00 2.41 -0.10 0.00 0.00 175.22 178.02 2k6y n THR 4 N 2.28 0.00 -2.43 0.64 -1.04 -1.26 -5.01 114.28 107.46 2k6y n THR 4 Ca -0.18 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.59 2k6y n THR 4 Cb 0.57 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 69.16 2k6y n THR 4 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2k6y s GLU 5 N -0.75 1.96 0.07 -2.82 2.12 -1.26 -4.69 118.70 113.32 2k6y s GLU 5 Ca 0.00 -0.72 0.08 0.00 0.36 0.00 0.00 54.97 54.69 2k6y s GLU 5 Cb 0.00 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 32.08 2k6y s GLU 5 CO 0.00 -1.28 -0.21 0.20 -0.54 0.00 0.00 175.26 173.43 2k6y s GLY 6 N -4.61 1.19 0.00 -1.50 0.00 -1.26 -2.99 107.32 98.15 2k6y s GLY 6 Ca 0.63 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 44.21 2k6y s GLY 6 CO 0.44 -1.10 -0.04 0.66 0.00 0.00 0.00 173.10 173.06 2k6y s TRP 7 N -0.93 0.35 -0.46 1.90 -2.14 -0.91 -4.16 118.94 112.59 2k6y s TRP 7 Ca 0.08 -0.13 -0.18 0.00 2.66 0.00 0.00 56.10 58.53 2k6y s TRP 7 Cb -0.09 -0.22 0.04 0.00 -3.10 0.00 0.00 33.47 30.10 2k6y s TRP 7 CO 0.03 -0.02 0.53 0.08 -2.66 0.00 0.00 176.95 174.90 2k6y s VAL 8 N -0.28 4.99 -0.42 -0.66 1.01 -0.04 -1.17 120.40 123.83 2k6y s VAL 8 Ca -0.01 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 2k6y s VAL 8 Cb -0.03 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.21 2k6y s VAL 8 CO -0.00 -0.60 0.75 -0.60 0.00 0.00 0.00 175.10 174.65 2k6y s ARG 9 N 2.36 3.51 0.80 2.72 3.52 -0.86 -0.92 118.95 130.09 2k6y s ARG 9 Ca 0.14 -0.02 -0.12 0.00 -0.13 0.00 0.00 55.73 55.60 2k6y s ARG 9 Cb -0.18 -3.89 0.08 0.00 -1.56 0.00 0.00 34.95 29.39 2k6y s ARG 9 CO 0.13 -0.99 1.16 0.12 -0.81 0.00 0.00 175.30 174.91 2k6y s PHE 10 N 3.11 2.96 0.10 5.12 5.36 0.13 -2.32 117.98 132.44 2k6y s PHE 10 Ca 0.29 0.82 -0.25 0.00 -0.96 0.00 0.00 56.93 56.83 2k6y s PHE 10 Cb -0.13 -3.40 0.07 0.00 -0.34 0.00 0.00 43.02 39.22 2k6y s PHE 10 CO 0.20 -1.75 0.65 -1.12 -1.46 0.00 0.00 175.22 171.74 2k6y s SER 11 N -4.46 -0.56 0.00 6.13 0.01 -1.26 -4.58 113.70 108.98 2k6y s SER 11 Ca 0.62 0.12 0.09 0.00 1.31 0.00 0.00 55.95 58.08 2k6y s SER 11 Cb -0.12 0.56 0.53 0.00 0.21 0.00 0.00 66.02 67.21 2k6y s SER 11 CO 0.50 -0.86 1.21 -0.81 0.41 0.00 0.00 173.24 173.68 2k6y n PRO 12 N -0.15 0.83 0.00 12.44 -0.04 -1.26 -4.71 135.00 142.11 2k6y n PRO 12 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2k6y n PRO 12 Cb 0.63 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.45 1.61 0.00 0.55 0.00 -1.26 -4.94 105.19 101.59 2k6y n GLY 13 Ca 0.07 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.24 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 1.99 0.62 -4.27 1.61 -0.04 -1.26 -4.98 135.00 128.67 2k6y n PRO 14 Ca 0.00 0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 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 0.54 -0.04 0.00 0.00 175.50 176.00 2k6y s ASN 15 N -2.23 0.79 0.28 3.54 2.20 -1.26 -0.96 114.94 117.30 2k6y s ASN 15 Ca 0.32 -1.37 -0.18 0.00 -0.94 0.00 0.00 52.86 50.69 2k6y s ASN 15 Cb 0.17 0.24 0.02 0.00 -2.00 0.00 0.00 41.25 39.68 2k6y s ASN 15 CO 0.33 -0.76 0.65 0.00 -2.94 0.00 0.00 177.10 174.38 2k6y s ALA 16 N -3.91 -0.86 -0.30 3.54 0.00 -0.51 -4.49 121.76 115.24 2k6y s ALA 16 Ca 0.37 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2k6y s ALA 16 Cb 0.07 0.90 0.09 0.00 0.00 0.00 0.00 23.12 24.19 2k6y s ALA 16 CO 0.12 -0.98 0.06 0.00 0.00 0.00 0.00 175.76 174.97 2k6y s ALA 17 N -3.77 1.87 0.02 0.00 0.00 -0.98 -1.05 121.76 117.84 2k6y s ALA 17 Ca 0.15 -1.77 -0.17 0.00 0.00 0.00 0.00 51.96 50.17 2k6y s ALA 17 Cb -0.04 -1.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.37 2k6y s ALA 17 CO 0.08 -1.58 0.48 0.00 0.00 0.00 0.00 175.76 174.74 2k6y s ALA 18 N 1.44 3.64 0.22 0.00 0.00 -0.60 -2.02 121.76 124.44 2k6y s ALA 18 Ca 0.07 -0.12 0.11 0.00 0.00 0.00 0.00 51.96 52.03 2k6y s ALA 18 Cb -0.18 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 2k6y s ALA 18 CO -0.18 0.41 -0.17 0.71 0.00 0.00 0.00 175.76 176.52 2k6y s TYR 19 N -0.93 2.41 -0.14 0.00 2.02 -0.32 -1.53 117.35 118.85 2k6y s TYR 19 Ca 0.26 -0.31 -0.29 0.00 -0.37 0.00 0.00 57.07 56.37 2k6y s TYR 19 Cb -0.18 -1.13 0.07 0.00 -0.40 0.00 0.00 41.96 40.32 2k6y s TYR 19 CO 0.15 0.58 0.72 -0.48 -1.57 0.00 0.00 175.55 174.95 2k6y s LEU 20 N -3.04 -0.67 -0.07 -1.29 2.34 -1.24 -2.13 118.68 112.58 2k6y s LEU 20 Ca 0.25 0.97 -0.30 0.00 0.06 0.00 0.00 54.13 55.12 2k6y s LEU 20 Cb -0.07 2.45 -0.02 0.00 -0.56 0.00 0.00 46.19 47.99 2k6y s LEU 20 CO 0.13 -0.45 1.01 -0.89 -1.06 0.00 0.00 176.35 175.10 2k6y s THR 21 N -0.57 4.77 -0.02 5.48 2.01 -1.16 -0.26 115.64 125.89 2k6y s THR 21 Ca -0.06 2.02 0.04 0.00 0.31 0.00 0.00 61.69 63.99 2k6y s THR 21 Cb -0.02 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 2k6y s THR 21 CO 0.06 0.05 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.70 2k6y s LEU 22 N 1.70 1.96 0.09 4.42 0.20 -0.49 -4.63 118.68 121.93 2k6y s LEU 22 Ca 0.50 -0.23 0.01 0.00 0.69 0.00 0.00 54.13 55.10 2k6y s LEU 22 Cb -0.20 -0.66 -0.04 0.00 -0.43 0.00 0.00 46.19 44.86 2k6y s LEU 22 CO 0.21 0.14 -0.05 -1.83 -0.29 0.00 0.00 176.35 174.53 2k6y s GLU 23 N -0.16 0.78 -0.42 1.98 -1.05 -1.26 -0.68 118.70 117.88 2k6y s GLU 23 Ca 0.02 -1.31 0.03 0.00 -0.15 0.00 0.00 54.97 53.57 2k6y s GLU 23 Cb -0.06 -0.08 0.12 0.00 -0.44 0.00 0.00 34.13 33.67 2k6y s GLU 23 CO -0.00 -0.05 0.17 1.21 0.95 0.00 0.00 175.26 177.54 2k6y s ASN 24 N -3.01 4.30 0.00 0.83 2.47 0.02 -4.95 114.94 114.59 2k6y s ASN 24 Ca 0.11 -2.52 0.24 0.00 0.42 0.00 0.00 52.86 51.12 2k6y s ASN 24 Cb 0.06 -1.43 1.26 0.00 -1.45 0.00 0.00 41.25 39.68 2k6y s ASN 24 CO -0.06 -0.31 1.81 -0.81 -3.72 0.00 0.00 177.10 174.02 2k6y n PRO 25 N 3.75 0.40 -2.32 0.43 -0.04 -1.26 -1.01 135.00 134.95 2k6y n PRO 25 Ca 0.05 0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.24 2k6y n PRO 25 Cb 0.37 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.50 1.91 0.00 0.55 0.00 -1.26 -4.66 107.32 101.35 2k6y s GLY 26 Ca 0.25 0.02 0.21 0.00 0.00 0.00 0.00 44.72 45.20 2k6y s GLY 26 CO 0.36 0.28 1.50 1.22 0.00 0.00 0.00 173.10 176.46 2k6y n ASP 27 N -1.90 2.07 -4.54 1.64 9.92 -1.26 -2.19 116.55 120.28 2k6y n ASP 27 Ca 0.06 -1.79 -0.24 0.00 -0.53 0.00 0.00 54.79 52.29 2k6y n ASP 27 Cb 0.54 -0.14 -0.09 0.00 -0.64 0.00 0.00 41.12 40.79 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 -1.53 2.84 0.51 0.64 0.05 -1.26 -4.83 118.68 115.11 2k6y s LEU 28 Ca 0.33 -0.83 -0.17 0.00 0.05 0.00 0.00 54.13 53.51 2k6y s LEU 28 Cb 0.18 -1.39 -0.08 0.00 -2.05 0.00 0.00 46.19 42.85 2k6y s LEU 28 CO 0.27 0.04 0.98 -2.16 -0.55 0.00 0.00 176.35 174.93 2k6y s PRO 29 N -3.45 3.96 0.17 1.48 0.04 -1.26 -4.06 135.00 131.88 2k6y s PRO 29 Ca 0.29 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.35 2k6y s PRO 29 Cb -0.06 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2k6y s PRO 29 CO 0.16 -0.26 0.08 -0.51 0.04 0.00 0.00 177.00 176.52 2k6y s LEU 30 N -4.02 3.61 -0.17 -3.56 1.43 0.06 -4.94 118.68 111.08 2k6y s LEU 30 Ca 0.59 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.43 2k6y s LEU 30 Cb -0.10 -2.23 0.05 0.00 0.03 0.00 0.00 46.19 43.94 2k6y s LEU 30 CO 0.30 0.07 0.01 -0.60 0.23 0.00 0.00 176.35 176.37 2k6y s ARG 31 N -3.08 0.81 -0.42 1.70 3.52 -1.26 -0.80 118.95 119.41 2k6y s ARG 31 Ca 0.30 -0.38 -0.19 0.00 -0.13 0.00 0.00 55.73 55.32 2k6y s ARG 31 Cb -0.10 -1.94 0.02 0.00 -1.56 0.00 0.00 34.95 31.37 2k6y s ARG 31 CO 0.22 -0.56 0.55 -1.17 -0.81 0.00 0.00 175.30 173.53 2k6y s LEU 32 N 1.82 4.63 -0.01 -0.88 2.96 0.37 -1.31 118.68 126.27 2k6y s LEU 32 Ca -0.00 -0.45 0.19 0.00 -0.22 0.00 0.00 54.13 53.66 2k6y s LEU 32 Cb -0.16 -2.58 -0.24 0.00 0.50 0.00 0.00 46.19 43.71 2k6y s LEU 32 CO -0.07 -0.67 0.69 1.33 -1.32 0.00 0.00 176.35 176.30 2k6y n VAL 33 N 5.65 0.00 -3.24 1.68 0.24 0.74 -0.24 118.33 123.17 2k6y n VAL 33 Ca -0.04 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2k6y n VAL 33 Cb 0.48 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.60 3.70 7.63 0.00 -1.18 -4.61 105.19 111.57 2k6y n GLY 34 Ca 0.01 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.43 -0.03 4.61 0.00 -1.26 -0.74 121.76 122.90 2k6y s ALA 35 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 2k6y s ALA 35 Cb 0.00 0.91 0.02 0.00 0.00 0.00 0.00 23.12 24.05 2k6y s ALA 35 CO 0.00 -0.93 0.08 1.03 0.00 0.00 0.00 175.76 175.94 2k6y s ARG 36 N -3.27 0.06 -0.01 0.00 1.81 -0.10 -4.87 118.95 112.57 2k6y s ARG 36 Ca 0.19 0.18 -0.08 0.00 -1.72 0.00 0.00 55.73 54.30 2k6y s ARG 36 Cb -0.03 -0.06 0.01 0.00 -0.45 0.00 0.00 34.95 34.41 2k6y s ARG 36 CO 0.11 -0.07 0.16 -0.08 -0.68 0.00 0.00 175.30 174.74 2k6y s THR 37 N 0.49 0.06 -1.96 0.02 -1.32 -1.26 -0.41 115.64 111.26 2k6y s THR 37 Ca -0.04 -0.52 0.24 0.00 -1.21 0.00 0.00 61.69 60.17 2k6y s THR 37 Cb -0.05 -0.40 0.68 0.00 -1.51 0.00 0.00 72.50 71.21 2k6y s THR 37 CO -0.02 -0.29 1.82 -0.81 -2.21 0.00 0.00 174.62 173.11 2k6y n PRO 38 N 1.79 0.73 -0.37 7.08 -0.04 -1.26 -2.84 135.00 140.10 2k6y n PRO 38 Ca -0.20 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.34 2k6y n PRO 38 Cb 0.56 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.77 2k6y n PRO 38 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2k6y n VAL 39 N -1.02 1.48 -3.86 0.52 0.24 -1.26 -4.14 118.33 110.28 2k6y n VAL 39 Ca 0.18 -1.23 -0.10 0.00 -2.04 0.00 0.00 64.34 61.15 2k6y n VAL 39 Cb 0.09 0.25 -0.08 0.00 -1.47 0.00 0.00 33.84 32.63 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 -1.60 -0.25 0.00 2.33 0.00 -1.13 -3.95 121.76 117.16 2k6y s ALA 40 Ca 0.37 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2k6y s ALA 40 Cb 0.23 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2k6y s ALA 40 CO 0.18 -0.42 0.00 -1.91 0.00 0.00 0.00 175.76 173.62 2k6y n GLU 41 N 0.38 0.00 -2.76 0.00 4.07 -0.85 -4.34 120.64 117.14 2k6y n GLU 41 Ca -0.17 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.58 2k6y n GLU 41 Cb 0.60 -0.35 -0.06 0.00 -0.06 0.00 0.00 31.44 31.57 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 -0.95 4.37 -0.10 5.31 3.52 -0.88 -4.97 118.95 125.25 2k6y s ARG 42 Ca 0.00 1.28 -0.08 0.00 -0.13 0.00 0.00 55.73 56.79 2k6y s ARG 42 Cb 0.00 -2.51 0.03 0.00 -1.56 0.00 0.00 34.95 30.91 2k6y s ARG 42 CO 0.00 0.09 0.26 0.54 -0.81 0.00 0.00 175.30 175.37 2k6y s VAL 43 N -1.84 -0.01 -0.05 7.11 0.11 -1.26 -0.83 120.40 123.64 2k6y s VAL 43 Ca 0.56 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.67 2k6y s VAL 43 Cb -0.15 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 2k6y s VAL 43 CO 0.20 0.01 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.24 2k6y s GLU 44 N 0.38 1.55 -0.17 1.54 2.02 -0.40 -4.91 118.70 118.72 2k6y s GLU 44 Ca -0.02 -0.47 -0.27 0.00 0.02 0.00 0.00 54.97 54.23 2k6y s GLU 44 Cb -0.04 -1.34 -0.01 0.00 0.10 0.00 0.00 34.13 32.85 2k6y s GLU 44 CO -0.02 0.14 0.90 -1.17 0.02 0.00 0.00 175.26 175.13 2k6y s LEU 45 N 0.27 4.18 0.17 1.80 0.20 -1.26 -0.39 118.68 123.65 2k6y s LEU 45 Ca -0.07 1.28 0.07 0.00 0.69 0.00 0.00 54.13 56.09 2k6y s LEU 45 Cb -0.12 -3.35 -0.04 0.00 -0.43 0.00 0.00 46.19 42.25 2k6y s LEU 45 CO 0.02 -0.45 0.05 -1.00 -0.29 0.00 0.00 176.35 174.68 2k6y s HIS 46 N 2.30 2.95 0.52 5.38 3.76 -0.06 -1.09 115.29 129.05 2k6y s HIS 46 Ca 0.41 -0.10 0.05 0.00 -0.15 0.00 0.00 55.06 55.27 2k6y s HIS 46 Cb -0.17 -1.42 0.05 0.00 1.11 0.00 0.00 32.58 32.15 2k6y s HIS 46 CO 0.12 0.52 0.40 -0.85 -0.85 0.00 0.00 174.74 174.08 2k6y n GLU 47 N -0.23 0.72 -3.78 1.40 0.28 -0.02 -1.15 120.64 117.86 2k6y n GLU 47 Ca -0.09 -3.23 -0.26 0.00 -0.16 0.00 0.00 57.16 53.42 2k6y n GLU 47 Cb 0.55 0.33 -0.17 0.00 1.43 0.00 0.00 31.44 33.58 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 -2.57 0.61 0.10 3.84 2.01 0.63 -3.17 115.64 117.09 2k6y s THR 48 Ca 0.30 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.96 2k6y s THR 48 Cb -0.02 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 2k6y s THR 48 CO 0.19 0.01 0.22 0.72 -0.69 0.00 0.00 174.62 175.08 2k6y s PHE 49 N 1.84 3.46 0.35 4.92 -0.71 -0.09 -4.59 117.98 123.17 2k6y s PHE 49 Ca 0.01 0.18 -0.17 0.00 -1.04 0.00 0.00 56.93 55.91 2k6y s PHE 49 Cb -0.15 -1.70 -0.10 0.00 -1.21 0.00 0.00 43.02 39.86 2k6y s PHE 49 CO -0.07 0.56 0.80 0.00 -1.34 0.00 0.00 175.22 175.17 2k6y s MET 50 N -2.78 4.09 -0.20 1.99 0.23 -1.26 -1.88 119.30 119.48 2k6y s MET 50 Ca 0.34 0.82 -0.16 0.00 -1.03 0.00 0.00 55.69 55.67 2k6y s MET 50 Cb -0.12 -2.38 0.06 0.00 -1.53 0.00 0.00 34.83 30.85 2k6y s MET 50 CO 0.27 0.11 0.52 0.50 -2.03 0.00 0.00 175.02 174.40 2k6y s ARG 51 N -2.98 0.57 0.04 3.16 6.06 -0.12 -4.95 118.95 120.73 2k6y s ARG 51 Ca 0.56 0.82 0.04 0.00 -2.50 0.00 0.00 55.73 54.65 2k6y s ARG 51 Cb -0.10 0.19 -0.04 0.00 0.06 0.00 0.00 34.95 35.06 2k6y s ARG 51 CO 0.16 -0.11 -0.04 -2.00 -2.50 0.00 0.00 175.30 170.82 2k6y s GLU 52 N 0.78 2.55 -0.20 5.12 2.12 -1.26 -0.39 118.70 127.41 2k6y s GLU 52 Ca -0.04 -0.77 -0.08 0.00 0.36 0.00 0.00 54.97 54.44 2k6y s GLU 52 Cb -0.05 -2.52 0.08 0.00 0.26 0.00 0.00 34.13 31.90 2k6y s GLU 52 CO -0.06 0.58 0.44 0.54 -0.54 0.00 0.00 175.26 176.22 2k6y s VAL 53 N -1.13 -0.44 -1.50 3.70 0.11 -0.08 -4.87 120.40 116.19 2k6y s VAL 53 Ca 0.20 0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.25 2k6y s VAL 53 Cb -0.11 -0.68 0.10 0.00 -1.53 0.00 0.00 36.38 34.16 2k6y s VAL 53 CO 0.12 0.05 0.75 1.21 -3.33 0.00 0.00 175.10 173.90 2k6y n GLU 54 N 4.99 -4.06 -0.54 1.54 2.13 -1.26 -1.56 120.64 121.89 2k6y n GLU 54 Ca -0.14 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.18 2k6y n GLU 54 Cb 0.52 -5.28 0.00 0.00 0.27 0.00 0.00 31.44 26.95 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 -1.41 0.72 3.72 8.31 0.00 -1.26 -4.98 105.19 110.27 2k6y n GLY 55 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.39 4.48 -0.14 1.61 3.01 -0.60 -5.05 119.74 122.66 2k6y s LYS 56 Ca 0.00 1.04 -0.07 0.00 -1.01 0.00 0.00 55.97 55.93 2k6y s LYS 56 Cb 0.00 -3.44 -0.04 0.00 -1.01 0.00 0.00 37.83 33.33 2k6y s LYS 56 CO 0.00 0.05 0.12 -1.59 0.51 0.00 0.00 175.35 174.44 2k6y s LYS 57 N 0.79 3.61 -0.00 1.68 -2.85 -1.26 -0.90 119.74 120.81 2k6y s LYS 57 Ca 0.41 -0.20 -0.18 0.00 -1.00 0.00 0.00 55.97 55.01 2k6y s LYS 57 Cb -0.19 -3.20 0.03 0.00 -2.06 0.00 0.00 37.83 32.41 2k6y s LYS 57 CO 0.21 0.62 0.38 0.08 0.10 0.00 0.00 175.35 176.74 2k6y s VAL 58 N -0.57 0.05 -0.12 1.79 1.01 0.47 -5.00 120.40 118.04 2k6y s VAL 58 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2k6y s VAL 58 Cb -0.12 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 2k6y s VAL 58 CO 0.02 -0.24 -0.13 -0.04 0.00 0.00 0.00 175.10 174.72 2k6y s MET 59 N -1.68 3.26 0.24 2.72 -1.94 -1.26 -0.95 119.30 119.69 2k6y s MET 59 Ca -0.11 -0.67 0.05 0.00 -1.71 0.00 0.00 55.69 53.25 2k6y s MET 59 Cb -0.03 -2.61 -0.05 0.00 2.01 0.00 0.00 34.83 34.15 2k6y s MET 59 CO 0.03 0.29 -0.05 0.20 -0.01 0.00 0.00 175.02 175.48 2k6y s GLY 60 N 0.17 1.59 0.26 -0.03 0.00 -0.79 -4.97 107.32 103.56 2k6y s GLY 60 Ca -0.07 -1.78 0.07 0.00 0.00 0.00 0.00 44.72 42.95 2k6y s GLY 60 CO 0.05 -1.73 0.18 1.06 0.00 0.00 0.00 173.10 172.66 2k6y s MET 61 N -3.78 2.83 -0.09 2.90 -1.94 -1.26 -0.91 119.30 117.05 2k6y s MET 61 Ca 0.27 -1.12 -0.30 0.00 -1.71 0.00 0.00 55.69 52.83 2k6y s MET 61 Cb 0.04 -2.51 0.12 0.00 2.01 0.00 0.00 34.83 34.49 2k6y s MET 61 CO 0.09 0.37 0.97 -0.98 -0.01 0.00 0.00 175.02 175.45 2k6y s ARG 62 N -3.84 0.67 0.61 2.03 1.70 -1.19 -4.98 118.95 113.96 2k6y s ARG 62 Ca 0.33 -0.09 -0.17 0.00 -0.47 0.00 0.00 55.73 55.33 2k6y s ARG 62 Cb -0.07 0.31 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 2k6y s ARG 62 CO 0.24 -0.26 1.12 -1.25 -1.08 0.00 0.00 175.30 174.07 2k6y s PRO 63 N -2.20 3.03 0.25 3.89 0.05 -1.26 -0.84 135.00 137.92 2k6y s PRO 63 Ca 0.03 1.49 0.12 0.00 0.05 0.00 0.00 61.00 62.69 2k6y s PRO 63 Cb -0.01 -1.97 -0.05 0.00 0.05 0.00 0.00 34.50 32.52 2k6y s PRO 63 CO -0.04 -1.09 -0.19 0.14 0.05 0.00 0.00 177.00 175.87 2k6y s VAL 64 N -2.09 2.55 -0.31 -0.36 -7.23 -0.25 -4.83 120.40 107.88 2k6y s VAL 64 Ca 0.70 -2.26 0.27 0.00 -1.81 0.00 0.00 61.98 58.88 2k6y s VAL 64 Cb -0.22 -2.31 0.31 0.00 0.56 0.00 0.00 36.38 34.71 2k6y s VAL 64 CO 0.35 -0.32 1.80 1.55 -0.31 0.00 0.00 175.10 178.18 2k6y h PRO 65 N 2.49 0.00 -1.03 4.82 0.13 -1.94 -3.42 132.00 133.05 2k6y h PRO 65 Ca -0.42 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 65.06 2k6y h PRO 65 Cb 1.24 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 2k6y h PRO 65 CO 0.57 0.00 0.99 -0.59 -0.23 0.00 0.00 178.00 178.74 2k6y s PHE 66 N -3.40 -0.01 0.48 1.56 -0.12 -1.26 -4.79 117.98 110.44 2k6y s PHE 66 Ca 0.04 0.00 0.07 0.00 -0.05 0.00 0.00 56.93 56.99 2k6y s PHE 66 Cb 0.09 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.99 2k6y s PHE 66 CO 0.48 -0.01 0.36 -0.51 -0.05 0.00 0.00 175.22 175.48 2k6y s LEU 67 N -2.26 3.00 0.22 -1.99 1.43 0.67 -5.00 118.68 114.74 2k6y s LEU 67 Ca 0.13 -1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.01 2k6y s LEU 67 Cb 0.01 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.74 2k6y s LEU 67 CO -0.03 -0.86 0.53 -1.83 0.23 0.00 0.00 176.35 174.39 2k6y s GLU 68 N -4.16 1.47 -0.10 1.70 -1.05 -1.26 -0.48 118.70 114.81 2k6y s GLU 68 Ca 0.40 -1.00 -0.08 0.00 -0.15 0.00 0.00 54.97 54.14 2k6y s GLU 68 Cb -0.01 0.51 0.03 0.00 -0.44 0.00 0.00 34.13 34.22 2k6y s GLU 68 CO 0.24 -0.63 0.27 0.08 0.95 0.00 0.00 175.26 176.17 2k6y s VAL 69 N -3.92 -0.02 0.96 1.83 1.01 0.02 -4.92 120.40 115.36 2k6y s VAL 69 Ca 0.13 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 2k6y s VAL 69 Cb -0.01 -0.39 0.17 0.00 0.00 0.00 0.00 36.38 36.15 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 0.61 0.71 0.44 2.72 0.04 -1.26 -0.76 135.00 137.50 2k6y s PRO 70 Ca -0.04 0.59 -0.25 0.00 0.04 0.00 0.00 61.00 61.34 2k6y s PRO 70 Cb -0.05 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.64 2k6y s PRO 70 CO -0.04 -2.55 1.37 -1.25 0.04 0.00 0.00 177.00 174.57 2k6y s PRO 71 N -4.98 3.74 0.00 0.56 0.04 -1.26 -3.39 135.00 129.71 2k6y s PRO 71 Ca 0.65 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.98 2k6y s PRO 71 Cb -0.18 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2k6y s PRO 71 CO 0.57 -0.73 0.00 1.63 0.04 0.00 0.00 177.00 178.51 2k6y n LYS 72 N -0.17 -0.12 -1.44 4.56 4.76 -0.18 -4.95 118.16 120.63 2k6y n LYS 72 Ca 0.05 0.03 -0.03 0.00 -2.87 0.00 0.00 58.31 55.49 2k6y n LYS 72 Cb 0.43 -3.73 0.01 0.00 -1.84 0.00 0.00 35.03 29.89 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 -1.86 2.14 3.43 0.72 0.00 -1.17 -4.86 105.19 103.58 2k6y n GLY 73 Ca 0.00 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.42 1.26 -0.07 1.61 1.70 -1.26 -0.80 118.95 118.97 2k6y s ARG 74 Ca 0.09 -0.58 -0.03 0.00 -0.47 0.00 0.00 55.73 54.73 2k6y s ARG 74 Cb -0.01 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.96 2k6y s ARG 74 CO 0.06 -0.54 0.15 0.14 -1.08 0.00 0.00 175.30 174.03 2k6y s VAL 75 N -3.78 -0.04 -0.18 4.99 -7.23 0.14 -5.00 120.40 109.31 2k6y s VAL 75 Ca 0.03 0.14 -0.17 0.00 -1.81 0.00 0.00 61.98 60.17 2k6y s VAL 75 Cb -0.01 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 2k6y s VAL 75 CO -0.11 0.06 0.43 -1.61 -0.31 0.00 0.00 175.10 173.56 2k6y s GLU 76 N 0.95 4.22 -0.84 4.82 8.01 -1.26 -1.40 118.70 133.21 2k6y s GLU 76 Ca -0.07 0.29 -0.16 0.00 0.01 0.00 0.00 54.97 55.04 2k6y s GLU 76 Cb -0.09 -3.51 -0.11 0.00 -4.31 0.00 0.00 34.13 26.10 2k6y s GLU 76 CO -0.05 0.01 1.99 1.28 0.01 0.00 0.00 175.26 178.50 2k6y n LEU 77 N 4.28 4.44 -4.76 1.80 4.32 0.64 -4.62 117.00 123.10 2k6y n LEU 77 Ca -0.08 -2.92 -0.39 0.00 -0.02 0.00 0.00 56.01 52.60 2k6y n LEU 77 Cb 0.51 -1.12 -0.04 0.00 -1.62 0.00 0.00 43.42 41.15 2k6y n LEU 77 CO 0.41 0.01 0.81 -1.59 -1.22 0.00 0.00 177.39 175.81 2k6y s LYS 78 N 4.41 4.45 0.22 3.23 -2.85 -1.00 -3.67 119.74 124.52 2k6y s LYS 78 Ca 0.51 1.81 -0.08 0.00 -1.00 0.00 0.00 55.97 57.20 2k6y s LYS 78 Cb 0.13 -3.00 0.29 0.00 -2.06 0.00 0.00 37.83 33.19 2k6y s LYS 78 CO 0.06 0.04 1.78 -1.00 0.10 0.00 0.00 175.35 176.32 2k6y h PRO 79 N 3.39 0.56 -4.86 1.78 0.13 -1.93 -0.67 132.00 130.39 2k6y h PRO 79 Ca -0.47 -0.03 -0.73 0.00 -0.87 0.00 0.00 66.00 63.89 2k6y h PRO 79 Cb 1.22 -0.13 -0.17 0.00 0.13 0.00 0.00 31.00 32.05 2k6y h PRO 79 CO 0.65 0.37 1.38 0.20 -0.23 0.00 0.00 178.00 180.38 2k6y s GLY 80 N -3.12 2.32 0.00 1.56 0.00 -1.26 -4.43 107.32 102.39 2k6y s GLY 80 Ca -0.13 -3.29 0.00 0.00 0.00 0.00 0.00 44.72 41.31 2k6y s GLY 80 CO 0.76 2.10 0.00 0.61 0.00 0.00 0.00 173.10 176.57 2k6y n GLY 81 N 4.30 -0.92 3.47 0.20 0.00 -0.94 -4.98 105.19 106.32 2k6y n GLY 81 Ca 0.37 0.41 -0.16 0.00 0.00 0.00 0.00 46.02 46.64 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 0.00 -0.57 -0.19 1.61 2.02 -0.30 -0.27 117.35 119.64 2k6y s TYR 82 Ca 0.00 1.13 -0.31 0.00 -0.37 0.00 0.00 57.07 57.52 2k6y s TYR 82 Cb 0.00 0.30 0.15 0.00 -0.40 0.00 0.00 41.96 42.00 2k6y s TYR 82 CO 0.00 -0.48 1.14 -3.38 -1.57 0.00 0.00 175.55 171.25 2k6y s HIS 83 N -0.76 -0.22 -0.19 2.71 -3.43 -0.30 -2.39 115.29 110.71 2k6y s HIS 83 Ca -0.08 0.33 -0.21 0.00 -0.80 0.00 0.00 55.06 54.30 2k6y s HIS 83 Cb -0.02 0.48 -0.03 0.00 -1.43 0.00 0.00 32.58 31.58 2k6y s HIS 83 CO 0.06 -0.24 0.64 -0.06 -2.00 0.00 0.00 174.74 173.14 2k6y s PHE 84 N -1.47 3.39 -0.68 0.38 0.08 -0.58 -0.88 117.98 118.22 2k6y s PHE 84 Ca 0.04 0.95 -0.25 0.00 0.12 0.00 0.00 56.93 57.79 2k6y s PHE 84 Cb -0.01 -2.80 0.05 0.00 -0.57 0.00 0.00 43.02 39.69 2k6y s PHE 84 CO -0.03 -0.16 1.13 -1.64 -0.10 0.00 0.00 175.22 174.42 2k6y s MET 85 N 1.84 3.19 0.22 0.44 -1.94 0.47 -1.55 119.30 121.97 2k6y s MET 85 Ca 0.29 -0.43 -0.30 0.00 -1.71 0.00 0.00 55.69 53.54 2k6y s MET 85 Cb -0.16 -4.18 -0.08 0.00 2.01 0.00 0.00 34.83 32.42 2k6y s MET 85 CO 0.11 -1.94 0.98 -0.51 -0.01 0.00 0.00 175.02 173.65 2k6y s LEU 86 N 4.91 4.59 -0.00 -0.03 1.43 -0.22 -1.27 118.68 128.09 2k6y s LEU 86 Ca 0.30 1.98 -0.06 0.00 -1.03 0.00 0.00 54.13 55.32 2k6y s LEU 86 Cb -0.12 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.50 2k6y s LEU 86 CO 0.14 0.04 0.12 -0.76 0.23 0.00 0.00 176.35 176.12 2k6y s LEU 87 N -0.92 1.62 0.00 1.79 1.43 -0.01 -1.42 118.68 121.18 2k6y s LEU 87 Ca 0.43 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2k6y s LEU 87 Cb -0.27 0.59 0.00 0.00 0.03 0.00 0.00 46.19 46.54 2k6y s LEU 87 CO 0.33 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.19 2k6y n GLY 88 N 1.63 1.56 2.58 -3.19 0.00 -0.14 -2.00 105.19 105.63 2k6y n GLY 88 Ca -0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -6.69 0.14 0.99 4.77 -1.26 -4.85 117.00 110.10 2k6y n LEU 89 Ca 0.00 1.86 0.12 0.00 -0.03 0.00 0.00 56.01 57.96 2k6y n LEU 89 Cb 0.00 -3.21 0.49 0.00 -2.33 0.00 0.00 43.42 38.37 2k6y n LEU 89 CO 0.00 -3.53 0.87 0.07 -1.33 0.00 0.00 177.39 173.47 2k6y h LYS 90 N 3.47 0.00 -3.20 3.23 2.10 -1.76 -3.42 116.57 116.99 2k6y h LYS 90 Ca -0.32 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.19 2k6y h LYS 90 Cb 0.72 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 31.82 2k6y h LYS 90 CO 0.05 0.00 -0.40 1.03 -2.00 0.00 0.00 179.45 178.13 2k6y s ARG 91 N -3.30 0.46 1.11 0.07 0.52 -1.26 -4.99 118.95 111.55 2k6y s ARG 91 Ca 0.05 -0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.07 2k6y s ARG 91 Cb 0.10 0.20 0.25 0.00 0.52 0.00 0.00 34.95 36.02 2k6y s ARG 91 CO 0.44 -0.10 1.16 -1.25 0.02 0.00 0.00 175.30 175.58 2k6y s PRO 92 N -0.71 -0.46 0.39 3.54 0.04 -1.26 -4.70 135.00 131.83 2k6y s PRO 92 Ca -0.08 -0.08 0.04 0.00 0.04 0.00 0.00 61.00 60.91 2k6y s PRO 92 Cb -0.04 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 2k6y s PRO 92 CO 0.02 -3.20 0.14 1.28 0.04 0.00 0.00 177.00 175.27 2k6y n LEU 93 N -4.40 0.00 -3.73 -3.56 4.32 -1.26 -5.00 117.00 103.37 2k6y n LEU 93 Ca 0.13 -2.96 -0.13 0.00 -0.02 0.00 0.00 56.01 53.02 2k6y n LEU 93 Cb 0.59 0.97 -0.09 0.00 -1.62 0.00 0.00 43.42 43.27 2k6y n LEU 93 CO 0.47 -0.46 0.07 -0.75 -1.22 0.00 0.00 177.39 175.51 2k6y s LYS 94 N -3.47 0.58 0.21 3.23 2.36 -1.26 -5.03 119.74 116.36 2k6y s LYS 94 Ca 0.19 0.23 -0.31 0.00 -2.55 0.00 0.00 55.97 53.54 2k6y s LYS 94 Cb 0.01 0.27 -0.11 0.00 -1.05 0.00 0.00 37.83 36.95 2k6y s LYS 94 CO 0.14 -0.12 1.59 0.00 1.55 0.00 0.00 175.35 178.51 2k6y s ALA 95 N -0.50 3.79 0.00 3.13 0.00 -1.26 -3.47 121.76 123.46 2k6y s ALA 95 Ca -0.06 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2k6y s ALA 95 Cb -0.04 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2k6y s ALA 95 CO 0.03 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.35 2k6y n GLY 96 N 3.33 2.18 3.97 0.00 0.00 -0.62 -5.01 105.19 109.03 2k6y n GLY 96 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2k6y n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k6y s GLU 97 N -0.82 2.19 -0.40 1.61 0.41 -1.23 -4.62 118.70 115.85 2k6y s GLU 97 Ca 0.00 -0.73 -0.20 0.00 -0.41 0.00 0.00 54.97 53.63 2k6y s GLU 97 Cb 0.00 -2.36 0.01 0.00 -1.78 0.00 0.00 34.13 30.01 2k6y s GLU 97 CO 0.00 -1.07 0.60 -1.21 -0.49 0.00 0.00 175.26 173.09 2k6y s GLU 98 N -5.00 3.41 -0.30 1.61 2.02 -1.26 -1.04 118.70 118.13 2k6y s GLU 98 Ca 0.61 -0.28 -0.21 0.00 0.02 0.00 0.00 54.97 55.11 2k6y s GLU 98 Cb -0.09 -3.90 -0.01 0.00 0.10 0.00 0.00 34.13 30.23 2k6y s GLU 98 CO 0.42 -0.87 0.65 0.08 0.02 0.00 0.00 175.26 175.56 2k6y s VAL 99 N 2.66 4.92 0.30 2.63 1.01 0.26 -4.91 120.40 127.27 2k6y s VAL 99 Ca 0.21 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.84 2k6y s VAL 99 Cb -0.15 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 2k6y s VAL 99 CO 0.17 -0.14 1.10 -1.61 0.00 0.00 0.00 175.10 174.61 2k6y s GLU 100 N 2.65 4.55 -0.12 2.72 2.02 -1.26 -0.96 118.70 128.31 2k6y s GLU 100 Ca 0.26 1.77 -0.05 0.00 0.02 0.00 0.00 54.97 56.98 2k6y s GLU 100 Cb -0.15 -3.09 0.05 0.00 0.10 0.00 0.00 34.13 31.05 2k6y s GLU 100 CO 0.11 0.14 0.26 -0.51 0.02 0.00 0.00 175.26 175.28 2k6y s LEU 101 N -1.64 0.11 -0.66 1.80 1.43 0.05 -4.11 118.68 115.66 2k6y s LEU 101 Ca 0.47 0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 53.97 2k6y s LEU 101 Cb -0.31 0.73 0.15 0.00 0.03 0.00 0.00 46.19 46.80 2k6y s LEU 101 CO 0.39 -0.20 0.65 -0.62 0.23 0.00 0.00 176.35 176.81 2k6y s ASP 102 N 1.73 6.40 -0.42 2.29 2.15 0.46 -0.49 116.67 128.79 2k6y s ASP 102 Ca -0.05 -2.03 -0.29 0.00 0.43 0.00 0.00 52.55 50.61 2k6y s ASP 102 Cb -0.11 -2.24 0.02 0.00 -0.30 0.00 0.00 42.92 40.30 2k6y s ASP 102 CO -0.09 -0.82 1.10 -0.76 -0.17 0.00 0.00 175.17 174.44 2k6y s LEU 103 N 1.38 3.76 -0.06 -1.34 1.43 -0.15 -0.92 118.68 122.78 2k6y s LEU 103 Ca 0.11 0.66 -0.27 0.00 -1.03 0.00 0.00 54.13 53.60 2k6y s LEU 103 Cb -0.21 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 2k6y s LEU 103 CO -0.01 -1.11 0.87 -0.76 0.23 0.00 0.00 176.35 175.57 2k6y s LEU 104 N 4.13 4.31 -0.10 1.79 1.43 0.08 -1.29 118.68 129.02 2k6y s LEU 104 Ca 0.46 1.42 0.02 0.00 -1.03 0.00 0.00 54.13 55.01 2k6y s LEU 104 Cb -0.09 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.78 2k6y s LEU 104 CO 0.25 -0.25 -0.17 -0.36 0.23 0.00 0.00 176.35 176.05 2k6y s PHE 105 N 1.21 2.08 -0.12 0.29 0.08 -0.01 -0.18 117.98 121.32 2k6y s PHE 105 Ca 0.45 -0.94 0.00 0.00 0.12 0.00 0.00 56.93 56.56 2k6y s PHE 105 Cb -0.19 -1.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.79 2k6y s PHE 105 CO 0.21 -0.45 0.00 0.00 -0.10 0.00 0.00 175.22 174.88 2k6y n ALA 106 N 4.00 -0.91 0.00 5.36 0.00 -0.43 -1.17 120.51 127.36 2k6y n ALA 106 Ca -0.20 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2k6y n ALA 106 Cb 0.52 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.50 1.34 0.00 0.00 0.00 -1.26 -4.61 105.19 100.16 2k6y n GLY 107 Ca -0.02 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.07 3.29 -0.02 0.00 -1.20 -4.83 105.19 101.35 2k6y n GLY 108 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.31 1.17 0.15 1.61 1.02 -0.32 -5.05 119.74 116.01 2k6y s LYS 109 Ca 0.34 -1.52 -0.01 0.00 0.02 0.00 0.00 55.97 54.79 2k6y s LYS 109 Cb 0.19 -0.72 -0.04 0.00 -0.52 0.00 0.00 37.83 36.75 2k6y s LYS 109 CO 0.38 0.06 0.09 0.54 -0.92 0.00 0.00 175.35 175.50 2k6y s VAL 110 N -3.28 0.08 -0.04 3.17 0.11 -1.26 -0.83 120.40 118.34 2k6y s VAL 110 Ca 0.20 -1.90 -0.00 0.00 -2.93 0.00 0.00 61.98 57.35 2k6y s VAL 110 Cb 0.03 -2.14 0.03 0.00 -1.53 0.00 0.00 36.38 32.76 2k6y s VAL 110 CO 0.03 -0.35 0.00 -0.76 -3.33 0.00 0.00 175.10 170.70 2k6y s LEU 111 N -3.07 0.93 0.00 2.54 1.43 -0.41 -4.90 118.68 115.20 2k6y s LEU 111 Ca 0.27 -0.03 -0.26 0.00 -1.03 0.00 0.00 54.13 53.07 2k6y s LEU 111 Cb 0.07 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.97 2k6y s LEU 111 CO 0.04 -0.13 0.83 -0.75 0.23 0.00 0.00 176.35 176.56 2k6y s LYS 112 N 1.35 4.52 0.06 1.70 2.20 -1.26 -0.98 119.74 127.32 2k6y s LYS 112 Ca -0.05 1.15 0.01 0.00 -0.36 0.00 0.00 55.97 56.71 2k6y s LYS 112 Cb -0.13 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 2k6y s LYS 112 CO -0.02 0.11 -0.05 0.08 -0.36 0.00 0.00 175.35 175.10 2k6y s VAL 113 N 0.55 0.40 -0.11 4.02 1.01 0.36 -4.98 120.40 121.64 2k6y s VAL 113 Ca 0.43 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 2k6y s VAL 113 Cb -0.20 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2k6y s VAL 113 CO 0.24 -0.75 -0.07 0.54 0.00 0.00 0.00 175.10 175.05 2k6y s VAL 114 N -2.90 3.67 -0.02 2.92 0.11 -1.26 -0.77 120.40 122.14 2k6y s VAL 114 Ca 0.01 -0.47 -0.05 0.00 -2.93 0.00 0.00 61.98 58.55 2k6y s VAL 114 Cb 0.00 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 32.32 2k6y s VAL 114 CO -0.05 0.55 0.11 -0.76 -3.33 0.00 0.00 175.10 171.62 2k6y s LEU 115 N -0.23 1.62 0.45 2.54 1.02 -0.13 -4.97 118.68 118.97 2k6y s LEU 115 Ca 0.03 0.01 -0.21 0.00 0.02 0.00 0.00 54.13 53.98 2k6y s LEU 115 Cb -0.13 0.47 -0.10 0.00 0.02 0.00 0.00 46.19 46.46 2k6y s LEU 115 CO 0.03 -0.18 1.00 -2.16 0.02 0.00 0.00 176.35 175.06 2k6y s PRO 116 N -0.59 4.02 -0.03 1.29 0.04 -1.26 -0.57 135.00 137.90 2k6y s PRO 116 Ca -0.07 1.28 -0.26 0.00 0.04 0.00 0.00 61.00 62.00 2k6y s PRO 116 Cb -0.04 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2k6y s PRO 116 CO 0.01 -0.23 0.80 0.08 0.04 0.00 0.00 177.00 177.70 2k6y s VAL 117 N -2.02 4.95 -0.03 -0.36 1.01 -0.21 -0.86 120.40 122.88 2k6y s VAL 117 Ca 0.64 1.67 -0.03 0.00 0.00 0.00 0.00 61.98 64.25 2k6y s VAL 117 Cb -0.14 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2k6y s VAL 117 CO 0.18 0.24 0.15 -0.70 0.00 0.00 0.00 175.10 174.97 2k6y s GLU 118 N 0.76 3.36 -0.55 2.72 2.12 -0.10 -1.59 118.70 125.41 2k6y s GLU 118 Ca 0.42 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.47 2k6y s GLU 118 Cb -0.19 -3.06 0.14 0.00 0.26 0.00 0.00 34.13 31.28 2k6y s GLU 118 CO 0.22 0.69 0.33 0.00 -0.54 0.00 0.00 175.26 175.96 2k6y s ALA 119 N -1.23 3.18 0.00 6.30 0.00 -1.26 -0.69 121.76 128.05 2k6y s ALA 119 Ca 0.24 -3.29 0.00 0.00 0.00 0.00 0.00 51.96 48.91 2k6y s ALA 119 Cb -0.12 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.90 2k6y s ALA 119 CO 0.15 -2.05 0.00 -2.13 0.00 0.00 0.00 175.76 171.73