#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 1.88 0.00 1.61 7.64 -1.26 -5.16 113.62 118.33 2k6y n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k6y n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2k6y n SER 2 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2k6y n PHE 3 N 0.00 0.00 0.00 1.43 1.16 -1.26 -5.00 117.46 113.79 2k6y n PHE 3 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2k6y n PHE 3 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2k6y n PHE 3 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 2k6y n THR 4 N -0.10 0.00 -4.46 1.97 -1.04 -1.26 -4.83 114.28 104.57 2k6y n THR 4 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 2k6y n THR 4 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 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 0.00 1.61 0.00 -2.82 -6.30 -1.26 -4.83 118.70 105.10 2k6y s GLU 5 Ca 0.00 -1.80 0.00 0.00 -2.50 0.00 0.00 54.97 50.67 2k6y s GLU 5 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 34.13 32.76 2k6y s GLU 5 CO 0.00 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.80 2k6y n GLY 6 N -0.62 1.55 3.64 -1.50 0.00 -1.26 -4.70 105.19 102.29 2k6y n GLY 6 Ca -0.06 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 2k6y n GLY 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k6y s TRP 7 N 2.04 -0.57 0.22 1.61 -2.14 -0.49 -4.56 118.94 115.05 2k6y s TRP 7 Ca 0.00 1.35 -0.18 0.00 2.66 0.00 0.00 56.10 59.93 2k6y s TRP 7 Cb 0.00 0.36 -0.08 0.00 -3.10 0.00 0.00 33.47 30.65 2k6y s TRP 7 CO 0.00 -0.28 0.69 0.08 -2.66 0.00 0.00 176.95 174.78 2k6y s VAL 8 N 0.43 4.65 -0.65 -0.66 1.01 0.54 -1.35 120.40 124.37 2k6y s VAL 8 Ca 0.01 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.15 2k6y s VAL 8 Cb -0.05 -3.80 0.16 0.00 0.00 0.00 0.00 36.38 32.69 2k6y s VAL 8 CO -0.06 0.17 0.44 -0.60 0.00 0.00 0.00 175.10 175.04 2k6y s ARG 9 N -2.09 2.43 0.54 2.72 3.00 -0.19 -0.85 118.95 124.51 2k6y s ARG 9 Ca 0.43 -2.91 -0.20 0.00 -1.00 0.00 0.00 55.73 52.06 2k6y s ARG 9 Cb -0.16 -3.53 -0.06 0.00 0.00 0.00 0.00 34.95 31.21 2k6y s ARG 9 CO 0.20 -1.20 1.15 0.12 0.00 0.00 0.00 175.30 175.58 2k6y s PHE 10 N -0.73 2.64 0.03 5.12 5.36 0.49 -2.76 117.98 128.13 2k6y s PHE 10 Ca 0.21 1.53 -0.18 0.00 -0.96 0.00 0.00 56.93 57.53 2k6y s PHE 10 Cb -0.16 -3.35 0.03 0.00 -0.34 0.00 0.00 43.02 39.21 2k6y s PHE 10 CO -0.07 -1.71 0.39 0.45 -1.46 0.00 0.00 175.22 172.83 2k6y s SER 11 N -1.67 -0.27 0.15 6.13 0.15 -1.26 -2.92 113.70 114.02 2k6y s SER 11 Ca 0.72 0.04 0.18 0.00 0.70 0.00 0.00 55.95 57.60 2k6y s SER 11 Cb -0.26 0.40 0.80 0.00 -1.71 0.00 0.00 66.02 65.25 2k6y s SER 11 CO 0.29 -0.61 1.57 -0.81 1.20 0.00 0.00 173.24 174.88 2k6y n PRO 12 N 0.70 0.11 0.00 5.44 -0.04 -1.26 -4.94 135.00 135.01 2k6y n PRO 12 Ca -0.19 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2k6y n PRO 12 Cb 0.59 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.24 0.31 0.00 0.55 0.00 -1.26 -4.92 105.19 99.63 2k6y n GLY 13 Ca 0.02 -2.29 0.12 0.00 0.00 0.00 0.00 46.02 43.87 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 0.00 0.60 -4.23 1.61 -0.04 -1.26 -4.97 135.00 126.71 2k6y n PRO 14 Ca 0.00 0.03 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 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 -2.22 1.27 0.39 3.54 2.20 -1.26 -2.54 114.94 116.31 2k6y s ASN 15 Ca 0.31 -1.13 -0.14 0.00 -0.94 0.00 0.00 52.86 50.96 2k6y s ASN 15 Cb 0.16 0.10 0.05 0.00 -2.00 0.00 0.00 41.25 39.56 2k6y s ASN 15 CO 0.31 -0.53 0.76 0.00 -2.94 0.00 0.00 177.10 174.70 2k6y s ALA 16 N -3.62 -0.50 0.20 3.54 0.00 -0.42 -4.72 121.76 116.23 2k6y s ALA 16 Ca 0.21 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2k6y s ALA 16 Cb 0.06 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 2k6y s ALA 16 CO 0.02 -0.96 0.03 0.00 0.00 0.00 0.00 175.76 174.85 2k6y s ALA 17 N -2.28 1.47 -0.01 0.00 0.00 -1.11 -1.19 121.76 118.64 2k6y s ALA 17 Ca 0.18 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2k6y s ALA 17 Cb -0.04 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.79 2k6y s ALA 17 CO 0.13 -0.36 0.01 0.00 0.00 0.00 0.00 175.76 175.54 2k6y s ALA 18 N -3.68 0.05 0.09 0.00 0.00 -0.77 -1.02 121.76 116.42 2k6y s ALA 18 Ca 0.28 0.14 0.09 0.00 0.00 0.00 0.00 51.96 52.47 2k6y s ALA 18 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2k6y s ALA 18 CO 0.07 -0.05 -0.21 0.71 0.00 0.00 0.00 175.76 176.28 2k6y s TYR 19 N 0.50 2.47 -0.07 0.00 2.02 -0.46 -1.92 117.35 119.89 2k6y s TYR 19 Ca -0.04 -0.30 -0.27 0.00 -0.37 0.00 0.00 57.07 56.08 2k6y s TYR 19 Cb -0.06 -1.37 0.06 0.00 -0.40 0.00 0.00 41.96 40.19 2k6y s TYR 19 CO -0.01 0.31 0.62 -0.48 -1.57 0.00 0.00 175.55 174.41 2k6y s LEU 20 N -1.81 -0.39 -0.33 -1.29 2.34 -1.26 -1.39 118.68 114.55 2k6y s LEU 20 Ca 0.15 0.70 -0.20 0.00 0.06 0.00 0.00 54.13 54.85 2k6y s LEU 20 Cb -0.10 2.29 -0.00 0.00 -0.56 0.00 0.00 46.19 47.81 2k6y s LEU 20 CO 0.07 -0.53 0.61 -0.89 -1.06 0.00 0.00 176.35 174.54 2k6y s THR 21 N -1.00 4.94 -0.17 5.48 2.01 -1.26 -0.51 115.64 125.12 2k6y s THR 21 Ca -0.10 0.67 -0.20 0.00 0.31 0.00 0.00 61.69 62.37 2k6y s THR 21 Cb -0.01 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2k6y s THR 21 CO 0.08 -0.21 0.59 -0.22 -0.69 0.00 0.00 174.62 174.17 2k6y s LEU 22 N 2.60 4.19 0.07 4.42 1.98 -0.09 -4.86 118.68 126.99 2k6y s LEU 22 Ca 0.24 0.84 0.09 0.00 -2.89 0.00 0.00 54.13 52.41 2k6y s LEU 22 Cb -0.15 -2.85 -0.03 0.00 0.66 0.00 0.00 46.19 43.82 2k6y s LEU 22 CO 0.13 -0.19 -0.23 -1.83 -1.89 0.00 0.00 176.35 172.33 2k6y s GLU 23 N 1.52 1.46 -0.58 1.98 -1.05 -1.26 -0.56 118.70 120.21 2k6y s GLU 23 Ca 0.28 -1.10 -0.01 0.00 -0.15 0.00 0.00 54.97 54.00 2k6y s GLU 23 Cb -0.16 -1.69 0.15 0.00 -0.44 0.00 0.00 34.13 31.99 2k6y s GLU 23 CO 0.11 0.42 0.37 1.21 0.95 0.00 0.00 175.26 178.32 2k6y s ASN 24 N -1.47 4.96 0.00 0.83 3.84 -0.09 -4.95 114.94 118.06 2k6y s ASN 24 Ca 0.10 -2.86 0.22 0.00 0.21 0.00 0.00 52.86 50.52 2k6y s ASN 24 Cb -0.10 -1.79 0.95 0.00 -0.55 0.00 0.00 41.25 39.77 2k6y s ASN 24 CO 0.03 -0.33 1.70 -0.81 -2.79 0.00 0.00 177.10 174.90 2k6y n PRO 25 N 3.43 0.03 -0.16 0.43 -0.04 -1.26 -0.40 135.00 137.03 2k6y n PRO 25 Ca 0.07 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2k6y n PRO 25 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.75 -0.37 0.00 0.55 0.00 -1.26 -4.69 105.19 100.17 2k6y n GLY 26 Ca 0.06 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2k6y n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k6y n ASP 27 N -2.15 1.43 -4.40 1.61 9.92 -1.26 -2.96 116.55 118.74 2k6y n ASP 27 Ca 0.00 -1.51 -0.20 0.00 -0.53 0.00 0.00 54.79 52.55 2k6y n ASP 27 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 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 -0.51 2.50 0.36 0.64 0.05 -1.26 -4.85 118.68 115.61 2k6y s LEU 28 Ca 0.00 -1.13 -0.21 0.00 0.05 0.00 0.00 54.13 52.84 2k6y s LEU 28 Cb 0.00 -0.65 -0.10 0.00 -2.05 0.00 0.00 46.19 43.38 2k6y s LEU 28 CO 0.00 -0.28 0.88 -2.16 -0.55 0.00 0.00 176.35 174.24 2k6y s PRO 29 N -3.70 4.27 -0.34 1.48 0.04 -1.26 -4.05 135.00 131.44 2k6y s PRO 29 Ca 0.27 1.05 -0.05 0.00 0.04 0.00 0.00 61.00 62.31 2k6y s PRO 29 Cb 0.02 -2.45 0.05 0.00 0.04 0.00 0.00 34.50 32.16 2k6y s PRO 29 CO 0.10 0.13 0.09 -0.51 0.04 0.00 0.00 177.00 176.85 2k6y s LEU 30 N -2.75 4.36 -0.49 -3.56 1.02 -0.18 -4.98 118.68 112.11 2k6y s LEU 30 Ca 0.56 -1.32 -0.14 0.00 0.02 0.00 0.00 54.13 53.25 2k6y s LEU 30 Cb -0.12 -1.82 0.10 0.00 0.02 0.00 0.00 46.19 44.37 2k6y s LEU 30 CO 0.17 -0.35 0.40 -0.60 0.02 0.00 0.00 176.35 176.00 2k6y s ARG 31 N 1.32 2.84 -0.20 1.70 3.52 -1.26 -0.29 118.95 126.58 2k6y s ARG 31 Ca -0.01 -1.56 -0.17 0.00 -0.13 0.00 0.00 55.73 53.86 2k6y s ARG 31 Cb -0.20 -4.10 -0.04 0.00 -1.56 0.00 0.00 34.95 29.05 2k6y s ARG 31 CO 0.01 -1.15 0.44 -1.17 -0.81 0.00 0.00 175.30 172.62 2k6y s LEU 32 N 1.55 4.14 -0.00 -0.88 2.96 -0.01 -0.64 118.68 125.80 2k6y s LEU 32 Ca 0.04 0.56 0.06 0.00 -0.22 0.00 0.00 54.13 54.57 2k6y s LEU 32 Cb -0.26 -2.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.78 2k6y s LEU 32 CO 0.03 -0.12 0.26 1.33 -1.32 0.00 0.00 176.35 176.53 2k6y n VAL 33 N 4.46 0.00 -3.08 1.68 0.24 0.11 -0.71 118.33 121.03 2k6y n VAL 33 Ca -0.07 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2k6y n VAL 33 Cb 0.51 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 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 1.29 -0.73 3.36 7.63 0.00 -1.13 -4.74 105.19 110.86 2k6y n GLY 34 Ca 0.01 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.83 -3.45 4.61 0.00 -1.26 -1.96 120.51 117.63 2k6y n ALA 35 Ca 0.00 -1.43 -0.15 0.00 0.00 0.00 0.00 53.44 51.86 2k6y n ALA 35 Cb 0.00 1.14 -0.08 0.00 0.00 0.00 0.00 19.45 20.52 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 -2.51 0.80 -0.03 0.00 3.52 -0.74 -4.86 118.95 115.12 2k6y s ARG 36 Ca 0.23 0.44 -0.18 0.00 -0.13 0.00 0.00 55.73 56.09 2k6y s ARG 36 Cb -0.02 0.38 0.03 0.00 -1.56 0.00 0.00 34.95 33.78 2k6y s ARG 36 CO 0.17 -0.18 0.38 -0.08 -0.81 0.00 0.00 175.30 174.78 2k6y s THR 37 N -0.49 0.04 -0.92 4.11 -1.32 -1.26 -0.64 115.64 115.16 2k6y s THR 37 Ca -0.06 -0.35 0.16 0.00 -1.21 0.00 0.00 61.69 60.23 2k6y s THR 37 Cb -0.03 -0.68 0.14 0.00 -1.51 0.00 0.00 72.50 70.42 2k6y s THR 37 CO 0.04 -0.19 1.51 -0.81 -2.21 0.00 0.00 174.62 172.96 2k6y n PRO 38 N 1.34 0.03 -0.17 7.08 -0.04 -1.26 -3.00 135.00 138.97 2k6y n PRO 38 Ca -0.20 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 2k6y n PRO 38 Cb 0.56 -1.56 0.26 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.62 0.46 -4.00 0.52 0.24 -1.26 -4.41 118.33 108.26 2k6y n VAL 39 Ca 0.03 -0.54 -0.10 0.00 -2.04 0.00 0.00 64.34 61.69 2k6y n VAL 39 Cb 0.18 0.43 -0.07 0.00 -1.47 0.00 0.00 33.84 32.90 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 -1.54 0.17 -0.02 2.33 0.00 -1.16 -4.24 121.76 117.30 2k6y s ALA 40 Ca 0.32 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 2k6y s ALA 40 Cb 0.17 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 24.18 2k6y s ALA 40 CO 0.24 -0.64 -0.11 -1.91 0.00 0.00 0.00 175.76 173.34 2k6y n GLU 41 N -0.21 0.17 -3.09 0.00 4.07 -0.88 -4.22 120.64 116.48 2k6y n GLU 41 Ca -0.06 0.07 -0.39 0.00 -0.06 0.00 0.00 57.16 56.72 2k6y n GLU 41 Cb 0.63 -0.73 -0.06 0.00 -0.06 0.00 0.00 31.44 31.22 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 -2.05 4.43 -0.00 5.31 3.52 -0.36 -4.97 118.95 124.82 2k6y s ARG 42 Ca -0.09 0.98 -0.00 0.00 -0.13 0.00 0.00 55.73 56.49 2k6y s ARG 42 Cb 0.01 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 2k6y s ARG 42 CO 0.14 0.53 0.01 0.54 -0.81 0.00 0.00 175.30 175.71 2k6y s VAL 43 N -0.89 -0.01 -0.05 7.11 0.11 -1.26 -0.87 120.40 124.54 2k6y s VAL 43 Ca 0.34 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.38 2k6y s VAL 43 Cb -0.21 -0.02 0.02 0.00 -1.53 0.00 0.00 36.38 34.63 2k6y s VAL 43 CO 0.23 0.01 0.12 -1.61 -3.33 0.00 0.00 175.10 170.52 2k6y s GLU 44 N 0.14 0.11 -0.26 1.54 2.02 -0.33 -4.93 118.70 116.99 2k6y s GLU 44 Ca -0.01 0.22 -0.25 0.00 0.02 0.00 0.00 54.97 54.95 2k6y s GLU 44 Cb -0.02 -0.02 -0.00 0.00 0.10 0.00 0.00 34.13 34.19 2k6y s GLU 44 CO -0.00 -0.07 0.87 -1.17 0.02 0.00 0.00 175.26 174.91 2k6y s LEU 45 N 0.44 4.07 0.37 1.80 0.20 -1.26 -0.94 118.68 123.36 2k6y s LEU 45 Ca -0.03 1.03 0.08 0.00 0.69 0.00 0.00 54.13 55.89 2k6y s LEU 45 Cb -0.05 -3.25 -0.04 0.00 -0.43 0.00 0.00 46.19 42.43 2k6y s LEU 45 CO -0.02 -0.58 0.22 -1.00 -0.29 0.00 0.00 176.35 174.67 2k6y s HIS 46 N 2.98 2.71 0.12 5.38 3.76 0.45 -1.24 115.29 129.46 2k6y s HIS 46 Ca 0.37 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.86 2k6y s HIS 46 Cb -0.15 -1.83 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 2k6y s HIS 46 CO 0.09 0.20 0.08 -0.85 -0.85 0.00 0.00 174.74 173.40 2k6y n GLU 47 N -1.27 0.37 -3.85 1.40 0.28 -0.02 -0.73 120.64 116.82 2k6y n GLU 47 Ca -0.01 -1.11 -0.20 0.00 -0.16 0.00 0.00 57.16 55.67 2k6y n GLU 47 Cb 0.62 0.80 -0.17 0.00 1.43 0.00 0.00 31.44 34.12 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 -2.31 0.26 0.51 3.84 2.01 -1.08 -3.18 115.64 115.69 2k6y s THR 48 Ca 0.11 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.28 2k6y s THR 48 Cb 0.01 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.12 2k6y s THR 48 CO 0.08 0.21 0.23 0.72 -0.69 0.00 0.00 174.62 175.16 2k6y s PHE 49 N 1.59 1.88 -0.01 4.92 -0.12 -0.04 -4.54 117.98 121.66 2k6y s PHE 49 Ca -0.01 -0.83 0.03 0.00 -0.05 0.00 0.00 56.93 56.06 2k6y s PHE 49 Cb -0.13 -1.82 -0.01 0.00 -0.63 0.00 0.00 43.02 40.44 2k6y s PHE 49 CO -0.03 -0.12 -0.10 -1.64 -0.05 0.00 0.00 175.22 173.28 2k6y s MET 50 N -4.08 0.88 0.05 1.99 -1.94 -1.26 -1.52 119.30 113.41 2k6y s MET 50 Ca 0.26 -0.37 -0.05 0.00 -1.71 0.00 0.00 55.69 53.82 2k6y s MET 50 Cb 0.00 -0.84 -0.02 0.00 2.01 0.00 0.00 34.83 35.98 2k6y s MET 50 CO 0.15 0.21 0.07 1.03 -0.01 0.00 0.00 175.02 176.47 2k6y s ARG 51 N -0.17 0.62 0.61 2.03 0.52 -0.72 -4.95 118.95 116.89 2k6y s ARG 51 Ca 0.03 -0.89 -0.18 0.00 -0.52 0.00 0.00 55.73 54.17 2k6y s ARG 51 Cb -0.05 0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 2k6y s ARG 51 CO -0.00 -0.15 1.16 -1.21 0.02 0.00 0.00 175.30 175.12 2k6y s GLU 52 N -3.06 2.95 0.00 3.54 8.01 -1.26 -0.40 118.70 128.48 2k6y s GLU 52 Ca -0.01 1.66 0.00 0.00 0.01 0.00 0.00 54.97 56.63 2k6y s GLU 52 Cb 0.02 -1.94 0.00 0.00 -4.31 0.00 0.00 34.13 27.89 2k6y s GLU 52 CO -0.07 -1.19 0.00 1.55 0.01 0.00 0.00 175.26 175.57 2k6y n VAL 53 N -1.83 0.00 -1.65 2.63 3.14 -0.89 -4.86 118.33 114.87 2k6y n VAL 53 Ca 0.12 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.46 2k6y n VAL 53 Cb 0.51 -0.04 0.16 0.00 -1.06 0.00 0.00 33.84 33.40 2k6y n VAL 53 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2k6y n GLU 54 N -1.65 2.11 0.00 1.45 0.28 -1.26 -4.94 120.64 116.62 2k6y n GLU 54 Ca 0.00 -3.47 0.00 0.00 -0.16 0.00 0.00 57.16 53.53 2k6y n GLU 54 Cb 0.00 -1.83 0.00 0.00 1.43 0.00 0.00 31.44 31.04 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k6y n GLY 55 N -1.03 1.35 3.77 -1.84 0.00 -1.26 -4.96 105.19 101.22 2k6y n GLY 55 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 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 4.02 -0.10 1.61 1.02 -1.26 -4.81 119.74 120.22 2k6y s LYS 56 Ca 0.00 1.81 -0.07 0.00 0.02 0.00 0.00 55.97 57.73 2k6y s LYS 56 Cb 0.00 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 2k6y s LYS 56 CO 0.00 -0.34 0.17 -1.59 -0.92 0.00 0.00 175.35 172.66 2k6y s LYS 57 N -2.37 3.48 0.04 1.68 -2.85 -1.26 -2.10 119.74 116.36 2k6y s LYS 57 Ca 0.58 -0.11 0.02 0.00 -1.00 0.00 0.00 55.97 55.46 2k6y s LYS 57 Cb -0.30 -3.18 -0.02 0.00 -2.06 0.00 0.00 37.83 32.27 2k6y s LYS 57 CO 0.37 0.76 -0.07 0.08 0.10 0.00 0.00 175.35 176.59 2k6y s VAL 58 N -1.07 0.52 0.42 1.79 1.01 0.47 -4.92 120.40 118.62 2k6y s VAL 58 Ca 0.17 -1.12 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 2k6y s VAL 58 Cb -0.12 -0.65 -0.11 0.00 0.00 0.00 0.00 36.38 35.50 2k6y s VAL 58 CO 0.06 -0.42 0.94 -0.04 0.00 0.00 0.00 175.10 175.65 2k6y s MET 59 N -1.70 4.23 0.15 2.72 -1.94 -1.26 -1.75 119.30 119.75 2k6y s MET 59 Ca -0.09 1.11 -0.20 0.00 -1.71 0.00 0.00 55.69 54.80 2k6y s MET 59 Cb -0.09 -2.21 0.05 0.00 2.01 0.00 0.00 34.83 34.59 2k6y s MET 59 CO 0.00 -0.01 0.52 0.20 -0.01 0.00 0.00 175.02 175.72 2k6y s GLY 60 N -2.17 -0.43 0.16 -0.03 0.00 -0.58 -4.97 107.32 99.31 2k6y s GLY 60 Ca 0.61 0.20 0.09 0.00 0.00 0.00 0.00 44.72 45.62 2k6y s GLY 60 CO 0.14 -0.07 -0.14 1.06 0.00 0.00 0.00 173.10 174.09 2k6y s MET 61 N -3.79 1.90 0.00 2.90 -1.94 -1.26 -0.86 119.30 116.25 2k6y s MET 61 Ca 0.03 -1.25 -0.28 0.00 -1.71 0.00 0.00 55.69 52.47 2k6y s MET 61 Cb -0.00 -2.11 0.09 0.00 2.01 0.00 0.00 34.83 34.82 2k6y s MET 61 CO -0.11 0.45 0.81 1.03 -0.01 0.00 0.00 175.02 177.19 2k6y s ARG 62 N -2.53 0.92 0.46 2.03 0.52 -1.19 -5.00 118.95 114.16 2k6y s ARG 62 Ca 0.22 -0.19 -0.24 0.00 -0.52 0.00 0.00 55.73 55.00 2k6y s ARG 62 Cb -0.09 0.43 -0.07 0.00 0.52 0.00 0.00 34.95 35.73 2k6y s ARG 62 CO 0.13 -0.37 1.26 -1.25 0.02 0.00 0.00 175.30 175.09 2k6y s PRO 63 N -2.67 3.66 0.23 3.54 0.04 -1.26 -0.84 135.00 137.70 2k6y s PRO 63 Ca 0.01 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.18 2k6y s PRO 63 Cb -0.01 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 2k6y s PRO 63 CO -0.06 -0.70 -0.22 0.14 0.04 0.00 0.00 177.00 176.20 2k6y s VAL 64 N -1.39 2.44 -0.90 -0.36 -7.23 -0.37 -4.89 120.40 107.70 2k6y s VAL 64 Ca 0.63 -2.15 0.20 0.00 -1.81 0.00 0.00 61.98 58.85 2k6y s VAL 64 Cb -0.35 -2.22 0.18 0.00 0.56 0.00 0.00 36.38 34.56 2k6y s VAL 64 CO 0.43 -0.22 1.63 -0.81 -0.31 0.00 0.00 175.10 175.82 2k6y n PRO 65 N -0.08 0.05 -3.61 4.82 -0.04 -1.26 -4.69 135.00 130.19 2k6y n PRO 65 Ca -0.10 0.22 0.01 0.00 -0.04 0.00 0.00 63.50 63.59 2k6y n PRO 65 Cb 0.57 -1.58 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 -3.05 -0.05 0.33 0.54 -0.71 -1.26 -4.84 117.98 108.93 2k6y s PHE 66 Ca 0.08 -0.04 0.05 0.00 -1.04 0.00 0.00 56.93 55.98 2k6y s PHE 66 Cb 0.12 0.54 -0.07 0.00 -1.21 0.00 0.00 43.02 42.40 2k6y s PHE 66 CO 0.37 -0.24 0.02 -0.51 -1.34 0.00 0.00 175.22 173.51 2k6y s LEU 67 N -2.89 2.40 0.19 -1.99 1.43 0.11 -5.02 118.68 112.91 2k6y s LEU 67 Ca 0.14 -1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 51.73 2k6y s LEU 67 Cb 0.04 -0.55 0.03 0.00 0.03 0.00 0.00 46.19 45.74 2k6y s LEU 67 CO -0.04 -0.51 0.51 -1.83 0.23 0.00 0.00 176.35 174.71 2k6y s GLU 68 N -3.81 1.34 -0.03 1.70 -1.05 -1.26 -0.83 118.70 114.75 2k6y s GLU 68 Ca 0.35 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 2k6y s GLU 68 Cb 0.08 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.31 2k6y s GLU 68 CO 0.15 -0.56 0.00 0.08 0.95 0.00 0.00 175.26 175.88 2k6y s VAL 69 N -3.86 0.17 0.84 1.83 1.01 0.60 -4.98 120.40 116.01 2k6y s VAL 69 Ca 0.08 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 2k6y s VAL 69 Cb -0.01 -0.27 0.09 0.00 0.00 0.00 0.00 36.38 36.19 2k6y s VAL 69 CO -0.04 0.15 1.09 -2.16 0.00 0.00 0.00 175.10 174.14 2k6y s PRO 70 N 1.10 1.75 0.41 2.72 0.04 -1.26 -1.01 135.00 138.74 2k6y s PRO 70 Ca -0.09 0.95 -0.27 0.00 0.04 0.00 0.00 61.00 61.64 2k6y s PRO 70 Cb -0.13 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 2k6y s PRO 70 CO -0.02 -1.94 1.43 -1.25 0.04 0.00 0.00 177.00 175.26 2k6y s PRO 71 N -4.94 3.93 0.00 0.56 0.04 -1.26 -1.89 135.00 131.44 2k6y s PRO 71 Ca 0.62 2.44 0.00 0.00 0.04 0.00 0.00 61.00 64.10 2k6y s PRO 71 Cb -0.17 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2k6y s PRO 71 CO 0.56 -0.62 0.00 1.63 0.04 0.00 0.00 177.00 178.61 2k6y n LYS 72 N 0.17 0.00 -2.63 4.56 4.76 0.46 -4.99 118.16 120.49 2k6y n LYS 72 Ca 0.03 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 2k6y n LYS 72 Cb 0.41 -3.38 -0.02 0.00 -1.84 0.00 0.00 35.03 30.20 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 1.87 -0.14 0.72 0.00 -0.79 -4.82 107.32 102.14 2k6y s GLY 73 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 44.72 44.90 2k6y s GLY 73 CO 0.00 2.16 0.17 -1.60 0.00 0.00 0.00 173.10 173.82 2k6y s ARG 74 N 2.91 3.80 -0.01 2.90 3.52 -1.26 -0.91 118.95 129.89 2k6y s ARG 74 Ca 0.47 -0.11 -0.06 0.00 -0.13 0.00 0.00 55.73 55.89 2k6y s ARG 74 Cb -0.17 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 2k6y s ARG 74 CO 0.10 0.57 0.13 0.14 -0.81 0.00 0.00 175.30 175.43 2k6y s VAL 75 N -0.43 0.07 -0.10 7.11 -7.23 0.28 -5.00 120.40 115.10 2k6y s VAL 75 Ca 0.13 -0.58 -0.00 0.00 -1.81 0.00 0.00 61.98 59.72 2k6y s VAL 75 Cb -0.12 -0.38 0.02 0.00 0.56 0.00 0.00 36.38 36.46 2k6y s VAL 75 CO 0.03 -0.32 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.83 2k6y s GLU 76 N -1.13 1.24 -1.41 4.82 2.02 -1.26 -0.91 118.70 122.07 2k6y s GLU 76 Ca -0.12 -0.15 -0.12 0.00 0.02 0.00 0.00 54.97 54.60 2k6y s GLU 76 Cb -0.07 -1.37 0.07 0.00 0.10 0.00 0.00 34.13 32.87 2k6y s GLU 76 CO 0.01 -0.25 2.19 1.28 0.02 0.00 0.00 175.26 178.50 2k6y n LEU 77 N 4.91 7.03 -4.77 1.80 4.32 0.33 -4.89 117.00 125.73 2k6y n LEU 77 Ca -0.12 -4.36 -0.40 0.00 -0.02 0.00 0.00 56.01 51.11 2k6y n LEU 77 Cb 0.50 -1.58 -0.00 0.00 -1.62 0.00 0.00 43.42 40.72 2k6y n LEU 77 CO 0.16 1.33 0.99 -1.59 -1.22 0.00 0.00 177.39 177.06 2k6y s LYS 78 N 1.96 3.95 0.38 3.23 -2.85 -1.04 -4.07 119.74 121.32 2k6y s LYS 78 Ca 0.47 2.24 0.12 0.00 -1.00 0.00 0.00 55.97 57.79 2k6y s LYS 78 Cb 0.13 -2.78 0.77 0.00 -2.06 0.00 0.00 37.83 33.89 2k6y s LYS 78 CO -0.06 -0.53 1.87 -1.00 0.10 0.00 0.00 175.35 175.73 2k6y h PRO 79 N 2.69 0.08 -4.72 1.78 0.13 -1.94 -2.94 132.00 127.08 2k6y h PRO 79 Ca -0.50 -0.03 -0.70 0.00 -0.87 0.00 0.00 66.00 63.90 2k6y h PRO 79 Cb 1.25 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 2k6y h PRO 79 CO 0.63 0.36 2.67 0.41 -0.23 0.00 0.00 178.00 181.84 2k6y n GLY 80 N -0.65 3.69 0.00 1.56 0.00 -1.26 -4.72 105.19 103.80 2k6y n GLY 80 Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 4.55 0.70 3.74 -0.02 0.00 -1.13 -4.92 105.19 108.12 2k6y n GLY 81 Ca 0.50 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.94 3.42 0.19 1.61 1.51 -1.12 -2.63 117.35 117.38 2k6y s TYR 82 Ca 0.00 1.45 -0.22 0.00 -1.01 0.00 0.00 57.07 57.29 2k6y s TYR 82 Cb 0.00 -3.43 0.08 0.00 -0.11 0.00 0.00 41.96 38.49 2k6y s TYR 82 CO 0.00 -1.19 1.03 -3.38 -1.11 0.00 0.00 175.55 170.90 2k6y s HIS 83 N -0.24 0.07 -0.05 2.71 -3.43 0.09 -2.49 115.29 111.95 2k6y s HIS 83 Ca 0.52 -0.48 0.04 0.00 -0.80 0.00 0.00 55.06 54.33 2k6y s HIS 83 Cb -0.33 0.70 -0.03 0.00 -1.43 0.00 0.00 32.58 31.50 2k6y s HIS 83 CO 0.38 -0.94 -0.14 -0.06 -2.00 0.00 0.00 174.74 171.98 2k6y s PHE 84 N -2.18 2.70 -0.18 0.38 0.40 -0.81 -0.41 117.98 117.89 2k6y s PHE 84 Ca 0.22 -0.17 -0.08 0.00 -0.60 0.00 0.00 56.93 56.30 2k6y s PHE 84 Cb -0.03 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 2k6y s PHE 84 CO 0.05 0.18 0.10 -1.64 0.70 0.00 0.00 175.22 174.61 2k6y s MET 85 N -0.71 4.01 -0.03 0.44 -1.94 -0.12 -1.85 119.30 119.10 2k6y s MET 85 Ca 0.11 -0.27 0.07 0.00 -1.71 0.00 0.00 55.69 53.89 2k6y s MET 85 Cb -0.11 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.42 2k6y s MET 85 CO 0.01 0.34 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.60 2k6y s LEU 86 N 0.21 2.05 0.04 -0.03 2.01 -0.33 -1.18 118.68 121.44 2k6y s LEU 86 Ca 0.07 -0.46 -0.01 0.00 0.01 0.00 0.00 54.13 53.74 2k6y s LEU 86 Cb -0.12 -1.28 -0.04 0.00 0.01 0.00 0.00 46.19 44.76 2k6y s LEU 86 CO -0.01 0.29 -0.03 -0.76 1.01 0.00 0.00 176.35 176.85 2k6y s LEU 87 N -0.48 2.43 0.00 1.79 1.43 -0.05 -1.30 118.68 122.50 2k6y s LEU 87 Ca 0.07 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2k6y s LEU 87 Cb -0.10 0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.29 2k6y s LEU 87 CO 0.00 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.66 2k6y n GLY 88 N 0.46 1.73 2.79 -3.19 0.00 -1.05 -1.23 105.19 104.70 2k6y n GLY 88 Ca -0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 -7.57 0.00 0.99 4.77 -1.26 -4.83 117.00 109.09 2k6y n LEU 89 Ca 0.00 1.23 0.10 0.00 -0.03 0.00 0.00 56.01 57.31 2k6y n LEU 89 Cb 0.00 -3.19 0.61 0.00 -2.33 0.00 0.00 43.42 38.51 2k6y n LEU 89 CO 0.00 -2.94 0.80 2.29 -1.33 0.00 0.00 177.39 176.21 2k6y n LYS 90 N 0.64 0.67 -3.77 3.23 2.85 -1.26 -4.69 118.16 115.83 2k6y n LYS 90 Ca 0.01 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.15 2k6y n LYS 90 Cb 0.11 -1.48 -0.08 0.00 -0.65 0.00 0.00 35.03 32.93 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 -2.00 0.68 0.01 -1.58 0.52 -1.26 -5.01 118.95 110.31 2k6y s ARG 91 Ca 0.31 -0.31 0.25 0.00 -0.52 0.00 0.00 55.73 55.46 2k6y s ARG 91 Cb 0.14 0.30 0.58 0.00 0.52 0.00 0.00 34.95 36.49 2k6y s ARG 91 CO 0.24 -0.20 1.47 -0.35 0.02 0.00 0.00 175.30 176.48 2k6y n PRO 92 N 1.10 0.02 0.00 3.54 -0.04 -1.26 -4.94 135.00 133.41 2k6y n PRO 92 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2k6y n PRO 92 Cb 0.57 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2k6y n PRO 92 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k6y n LEU 93 N -1.53 0.00 0.00 1.53 4.77 -1.26 -4.78 117.00 115.73 2k6y n LEU 93 Ca 0.06 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 2k6y n LEU 93 Cb 0.34 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2k6y n LEU 93 CO 0.34 0.00 0.39 1.17 -1.33 0.00 0.00 177.39 177.96 2k6y n LYS 94 N 0.00 0.51 -4.24 3.23 3.00 -1.26 -5.06 118.16 114.35 2k6y n LYS 94 Ca 0.00 -1.06 -0.30 0.00 -0.00 0.00 0.00 58.31 56.95 2k6y n LYS 94 Cb 0.00 1.37 -0.10 0.00 0.00 0.00 0.00 35.03 36.31 2k6y n LYS 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k6y s ALA 95 N -1.61 2.94 0.00 3.14 0.00 -1.26 -4.64 121.76 120.33 2k6y s ALA 95 Ca 0.11 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2k6y s ALA 95 Cb -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2k6y s ALA 95 CO 0.05 0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.86 2k6y n GLY 96 N 0.72 0.46 3.44 0.00 0.00 -1.26 -5.05 105.19 103.51 2k6y n GLY 96 Ca -0.14 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.06 2.37 -0.05 1.61 -1.05 -1.26 -5.14 118.70 114.11 2k6y s GLU 97 Ca 0.00 -0.78 0.05 0.00 -0.15 0.00 0.00 54.97 54.09 2k6y s GLU 97 Cb 0.00 -2.29 -0.01 0.00 -0.44 0.00 0.00 34.13 31.40 2k6y s GLU 97 CO 0.00 0.60 -0.20 -1.21 0.95 0.00 0.00 175.26 175.40 2k6y s GLU 98 N -0.80 2.15 -0.42 -4.83 8.01 -1.26 -4.44 118.70 117.11 2k6y s GLU 98 Ca 0.12 -0.73 -0.09 0.00 0.01 0.00 0.00 54.97 54.27 2k6y s GLU 98 Cb -0.10 -1.83 0.08 0.00 -4.31 0.00 0.00 34.13 27.97 2k6y s GLU 98 CO 0.01 0.28 0.27 0.08 0.01 0.00 0.00 175.26 175.91 2k6y s VAL 99 N 0.01 4.27 0.13 2.63 1.01 -0.25 -4.86 120.40 123.33 2k6y s VAL 99 Ca -0.05 -1.39 -0.31 0.00 0.00 0.00 0.00 61.98 60.22 2k6y s VAL 99 Cb -0.13 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 2k6y s VAL 99 CO 0.03 -0.52 1.57 -1.61 0.00 0.00 0.00 175.10 174.58 2k6y s GLU 100 N 1.43 4.22 -0.01 2.72 2.02 -1.26 -1.81 118.70 126.02 2k6y s GLU 100 Ca 0.03 2.31 0.01 0.00 0.02 0.00 0.00 54.97 57.34 2k6y s GLU 100 Cb -0.23 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.70 2k6y s GLU 100 CO 0.02 -0.63 -0.01 -1.17 0.02 0.00 0.00 175.26 173.49 2k6y s LEU 101 N 1.62 1.82 -0.50 1.80 0.20 0.39 -4.17 118.68 119.84 2k6y s LEU 101 Ca 0.70 -0.03 -0.21 0.00 0.69 0.00 0.00 54.13 55.29 2k6y s LEU 101 Cb -0.41 -0.12 0.05 0.00 -0.43 0.00 0.00 46.19 45.27 2k6y s LEU 101 CO 0.31 -0.00 0.72 -1.81 -0.29 0.00 0.00 176.35 175.28 2k6y s ASP 102 N 0.18 6.28 -0.55 3.68 1.01 0.19 -0.44 116.67 127.02 2k6y s ASP 102 Ca -0.01 -0.61 -0.28 0.00 0.71 0.00 0.00 52.55 52.35 2k6y s ASP 102 Cb -0.03 -2.34 0.02 0.00 1.01 0.00 0.00 42.92 41.58 2k6y s ASP 102 CO -0.01 -0.97 1.26 -0.76 0.21 0.00 0.00 175.17 174.91 2k6y s LEU 103 N 3.06 3.47 -0.28 1.23 1.43 0.12 -1.80 118.68 125.91 2k6y s LEU 103 Ca 0.21 0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 53.29 2k6y s LEU 103 Cb -0.16 -3.21 0.01 0.00 0.03 0.00 0.00 46.19 42.86 2k6y s LEU 103 CO 0.16 -1.51 0.96 -0.76 0.23 0.00 0.00 176.35 175.42 2k6y s LEU 104 N 5.21 4.04 0.07 1.79 1.43 -0.83 -2.64 118.68 127.76 2k6y s LEU 104 Ca 0.47 1.04 0.07 0.00 -1.03 0.00 0.00 54.13 54.68 2k6y s LEU 104 Cb -0.09 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 2k6y s LEU 104 CO 0.27 -0.70 -0.14 -0.36 0.23 0.00 0.00 176.35 175.65 2k6y s PHE 105 N 3.24 2.66 0.13 0.29 0.08 0.04 0.09 117.98 124.51 2k6y s PHE 105 Ca 0.40 -0.19 -0.35 0.00 0.12 0.00 0.00 56.93 56.91 2k6y s PHE 105 Cb -0.14 -1.45 -0.15 0.00 -0.57 0.00 0.00 43.02 40.71 2k6y s PHE 105 CO 0.11 0.36 1.43 0.00 -0.10 0.00 0.00 175.22 177.02 2k6y n ALA 106 N 1.08 0.15 0.00 5.36 0.00 0.19 -3.62 120.51 123.67 2k6y n ALA 106 Ca -0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2k6y n ALA 106 Cb 0.52 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 2.85 -0.48 1.74 0.00 0.00 -1.26 -4.52 105.19 103.52 2k6y n GLY 107 Ca 0.17 -1.60 -0.02 0.00 0.00 0.00 0.00 46.02 44.57 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 3.11 3.68 -0.02 0.00 -1.26 -4.96 105.19 105.73 2k6y n GLY 108 Ca 0.00 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.48 4.26 -0.09 1.61 1.02 -1.24 -5.03 119.74 117.78 2k6y s LYS 109 Ca 0.44 0.60 -0.04 0.00 0.02 0.00 0.00 55.97 56.99 2k6y s LYS 109 Cb 0.35 -3.54 0.05 0.00 -0.52 0.00 0.00 37.83 34.17 2k6y s LYS 109 CO 0.11 -0.13 0.20 0.54 -0.92 0.00 0.00 175.35 175.16 2k6y s VAL 110 N 1.54 -0.19 -0.17 3.17 0.11 -1.26 -0.78 120.40 122.82 2k6y s VAL 110 Ca 0.29 0.25 0.01 0.00 -2.93 0.00 0.00 61.98 59.60 2k6y s VAL 110 Cb -0.16 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 2k6y s VAL 110 CO 0.11 0.10 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.03 2k6y s LEU 111 N 1.81 2.19 -0.17 2.54 2.01 -1.08 -4.90 118.68 121.08 2k6y s LEU 111 Ca -0.03 -0.61 -0.24 0.00 0.01 0.00 0.00 54.13 53.26 2k6y s LEU 111 Cb -0.12 -1.49 -0.02 0.00 0.01 0.00 0.00 46.19 44.58 2k6y s LEU 111 CO -0.07 0.03 0.77 -0.75 1.01 0.00 0.00 176.35 177.34 2k6y s LYS 112 N 1.10 4.29 0.07 1.70 2.20 -1.26 -0.70 119.74 127.14 2k6y s LYS 112 Ca 0.00 0.91 0.07 0.00 -0.36 0.00 0.00 55.97 56.59 2k6y s LYS 112 Cb -0.14 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 2k6y s LYS 112 CO -0.08 -0.27 -0.19 0.14 -0.36 0.00 0.00 175.35 174.59 2k6y s VAL 113 N 1.98 1.51 -0.14 4.02 -7.23 0.41 -4.92 120.40 116.04 2k6y s VAL 113 Ca 0.36 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 59.16 2k6y s VAL 113 Cb -0.16 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 2k6y s VAL 113 CO 0.12 -0.02 -0.06 0.54 -0.31 0.00 0.00 175.10 175.38 2k6y s VAL 114 N -1.05 3.75 0.10 1.32 0.11 -1.26 -0.46 120.40 122.90 2k6y s VAL 114 Ca 0.04 -0.42 0.06 0.00 -2.93 0.00 0.00 61.98 58.74 2k6y s VAL 114 Cb -0.09 -2.62 -0.03 0.00 -1.53 0.00 0.00 36.38 32.10 2k6y s VAL 114 CO 0.03 0.51 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.39 2k6y s LEU 115 N 0.19 2.34 0.38 2.54 1.02 -0.75 -4.93 118.68 119.47 2k6y s LEU 115 Ca -0.03 -0.72 -0.24 0.00 0.02 0.00 0.00 54.13 53.16 2k6y s LEU 115 Cb -0.14 -0.63 -0.09 0.00 0.02 0.00 0.00 46.19 45.35 2k6y s LEU 115 CO 0.03 -0.07 1.02 -2.16 0.02 0.00 0.00 176.35 175.20 2k6y s PRO 116 N -2.17 4.27 -0.12 1.29 0.04 -1.26 -1.09 135.00 135.95 2k6y s PRO 116 Ca 0.05 1.45 -0.07 0.00 0.04 0.00 0.00 61.00 62.47 2k6y s PRO 116 Cb -0.08 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 2k6y s PRO 116 CO 0.03 -0.04 0.14 0.08 0.04 0.00 0.00 177.00 177.25 2k6y s VAL 117 N -1.67 5.47 0.06 -0.36 1.01 -1.26 -0.34 120.40 123.31 2k6y s VAL 117 Ca 0.56 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.79 2k6y s VAL 117 Cb -0.21 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2k6y s VAL 117 CO 0.26 0.61 -0.13 -0.70 0.00 0.00 0.00 175.10 175.14 2k6y s GLU 118 N -0.97 0.81 -0.21 2.72 2.12 -0.03 -4.65 118.70 118.49 2k6y s GLU 118 Ca 0.15 -0.87 -0.09 0.00 0.36 0.00 0.00 54.97 54.51 2k6y s GLU 118 Cb -0.12 -0.80 -0.05 0.00 0.26 0.00 0.00 34.13 33.43 2k6y s GLU 118 CO 0.04 0.18 0.11 0.00 -0.54 0.00 0.00 175.26 175.05 2k6y s ALA 119 N -1.16 3.53 0.00 6.30 0.00 -1.26 -0.37 121.76 128.80 2k6y s ALA 119 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2k6y s ALA 119 Cb -0.09 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.90 2k6y s ALA 119 CO 0.02 0.01 0.00 0.54 0.00 0.00 0.00 175.76 176.33