#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y s SER 2 N 0.00 -0.02 -0.63 1.61 1.04 -1.26 -5.05 113.70 109.40 2k6y s SER 2 Ca 0.00 -0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 2k6y s SER 2 Cb 0.00 0.03 -0.15 0.00 0.10 0.00 0.00 66.02 65.99 2k6y s SER 2 CO 0.00 -0.05 2.87 0.49 0.98 0.00 0.00 173.24 177.54 2k6y n PHE 3 N -0.27 0.93 -0.01 5.02 3.72 -1.26 -4.15 117.46 121.44 2k6y n PHE 3 Ca -0.03 -1.89 -0.06 0.00 -0.05 0.00 0.00 57.45 55.42 2k6y n PHE 3 Cb 0.60 -1.75 -0.13 0.00 -0.94 0.00 0.00 39.48 37.26 2k6y n PHE 3 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2k6y n THR 4 N 3.16 1.44 -4.52 4.37 -1.04 -1.26 -4.95 114.28 111.49 2k6y n THR 4 Ca 0.49 -0.77 -0.26 0.00 -2.04 0.00 0.00 64.05 61.47 2k6y n THR 4 Cb 0.50 -0.88 -0.08 0.00 -1.82 0.00 0.00 70.33 68.05 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 -2.70 2.00 0.32 -2.82 2.12 -1.26 -4.75 118.70 111.61 2k6y s GLU 5 Ca -0.05 -2.24 0.10 0.00 0.36 0.00 0.00 54.97 53.15 2k6y s GLU 5 Cb 0.08 -0.51 -0.05 0.00 0.26 0.00 0.00 34.13 33.91 2k6y s GLU 5 CO 0.82 -0.55 -0.07 0.20 -0.54 0.00 0.00 175.26 175.11 2k6y s GLY 6 N -3.63 2.01 -0.03 -1.50 0.00 -1.26 -2.82 107.32 100.09 2k6y s GLY 6 Ca 0.22 -1.94 -0.17 0.00 0.00 0.00 0.00 44.72 42.83 2k6y s GLY 6 CO 0.16 -1.94 0.38 0.66 0.00 0.00 0.00 173.10 172.36 2k6y s TRP 7 N -2.52 -0.27 -0.24 1.90 -2.14 -0.24 -4.06 118.94 111.37 2k6y s TRP 7 Ca 0.33 0.45 -0.07 0.00 2.66 0.00 0.00 56.10 59.46 2k6y s TRP 7 Cb -0.01 0.15 -0.03 0.00 -3.10 0.00 0.00 33.47 30.48 2k6y s TRP 7 CO 0.17 -0.42 0.07 0.08 -2.66 0.00 0.00 176.95 174.20 2k6y s VAL 8 N -1.22 4.43 -0.94 -0.66 1.01 -0.52 -2.20 120.40 120.29 2k6y s VAL 8 Ca -0.12 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 2k6y s VAL 8 Cb -0.04 -3.06 0.10 0.00 0.00 0.00 0.00 36.38 33.38 2k6y s VAL 8 CO 0.05 0.35 1.21 -0.60 0.00 0.00 0.00 175.10 176.12 2k6y s ARG 9 N 1.43 3.58 0.61 2.72 3.52 -0.69 -0.67 118.95 129.45 2k6y s ARG 9 Ca 0.06 -1.54 -0.19 0.00 -0.13 0.00 0.00 55.73 53.93 2k6y s ARG 9 Cb -0.15 -5.01 -0.03 0.00 -1.56 0.00 0.00 34.95 28.20 2k6y s ARG 9 CO 0.04 -1.90 1.28 0.12 -0.81 0.00 0.00 175.30 174.02 2k6y s PHE 10 N 3.41 2.22 0.17 5.12 5.36 0.12 -3.53 117.98 130.84 2k6y s PHE 10 Ca 0.36 1.48 -0.18 0.00 -0.96 0.00 0.00 56.93 57.63 2k6y s PHE 10 Cb -0.04 -3.64 0.04 0.00 -0.34 0.00 0.00 43.02 39.03 2k6y s PHE 10 CO -0.09 -2.68 0.49 -1.12 -1.46 0.00 0.00 175.22 170.36 2k6y s SER 11 N -1.38 -0.29 0.00 6.13 0.01 -1.26 -4.36 113.70 112.54 2k6y s SER 11 Ca 0.79 -0.36 0.30 0.00 1.31 0.00 0.00 55.95 57.99 2k6y s SER 11 Cb -0.36 0.55 1.51 0.00 0.21 0.00 0.00 66.02 67.94 2k6y s SER 11 CO 0.39 -0.98 2.05 -0.81 0.41 0.00 0.00 173.24 174.30 2k6y n PRO 12 N -0.31 0.41 0.00 12.44 -0.04 -1.26 -4.51 135.00 141.74 2k6y n PRO 12 Ca -0.13 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2k6y n PRO 12 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.29 1.03 0.00 0.55 0.00 -1.26 -4.89 105.19 101.91 2k6y n GLY 13 Ca 0.14 -1.96 0.12 0.00 0.00 0.00 0.00 46.02 44.32 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 1.56 0.61 -4.33 1.61 -0.04 -1.26 -5.01 135.00 128.14 2k6y n PRO 14 Ca 0.00 0.02 -0.28 0.00 -0.04 0.00 0.00 63.50 63.21 2k6y n PRO 14 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 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 -2.23 3.88 0.33 3.54 0.01 -1.26 -1.00 114.94 118.21 2k6y s ASN 15 Ca 0.32 -0.66 -0.14 0.00 -0.71 0.00 0.00 52.86 51.67 2k6y s ASN 15 Cb 0.17 -0.52 0.02 0.00 0.41 0.00 0.00 41.25 41.34 2k6y s ASN 15 CO 0.32 0.13 0.65 0.00 -1.51 0.00 0.00 177.10 176.69 2k6y s ALA 16 N -1.50 -0.43 0.19 0.60 0.00 -0.53 -4.63 121.76 115.46 2k6y s ALA 16 Ca 0.21 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.43 2k6y s ALA 16 Cb -0.09 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 2k6y s ALA 16 CO 0.12 -0.93 -0.19 0.00 0.00 0.00 0.00 175.76 174.76 2k6y s ALA 17 N -3.15 2.20 0.01 0.00 0.00 -1.23 -0.95 121.76 118.65 2k6y s ALA 17 Ca 0.19 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.58 2k6y s ALA 17 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2k6y s ALA 17 CO 0.12 0.26 -0.06 0.00 0.00 0.00 0.00 175.76 176.08 2k6y s ALA 18 N -2.15 0.47 0.03 0.00 0.00 -0.61 -1.70 121.76 117.79 2k6y s ALA 18 Ca 0.19 -0.36 0.08 0.00 0.00 0.00 0.00 51.96 51.87 2k6y s ALA 18 Cb -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2k6y s ALA 18 CO 0.08 0.07 -0.23 0.71 0.00 0.00 0.00 175.76 176.40 2k6y s TYR 19 N -0.44 2.04 -0.10 0.00 2.02 -0.93 -1.85 117.35 118.09 2k6y s TYR 19 Ca -0.01 -0.39 -0.18 0.00 -0.37 0.00 0.00 57.07 56.12 2k6y s TYR 19 Cb -0.04 -1.25 0.04 0.00 -0.40 0.00 0.00 41.96 40.32 2k6y s TYR 19 CO -0.00 0.07 0.45 -0.48 -1.57 0.00 0.00 175.55 174.02 2k6y s LEU 20 N -1.01 0.28 -0.41 -1.29 2.34 -1.26 -1.08 118.68 116.24 2k6y s LEU 20 Ca 0.09 0.63 -0.20 0.00 0.06 0.00 0.00 54.13 54.72 2k6y s LEU 20 Cb -0.09 1.65 0.02 0.00 -0.56 0.00 0.00 46.19 47.20 2k6y s LEU 20 CO 0.01 -0.32 0.60 -0.89 -1.06 0.00 0.00 176.35 174.69 2k6y s THR 21 N -0.48 4.89 0.09 5.48 2.01 -1.13 -1.45 115.64 125.04 2k6y s THR 21 Ca -0.06 0.18 0.10 0.00 0.31 0.00 0.00 61.69 62.22 2k6y s THR 21 Cb -0.03 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2k6y s THR 21 CO 0.03 -0.48 -0.27 -0.22 -0.69 0.00 0.00 174.62 173.00 2k6y s LEU 22 N 2.68 2.24 0.02 4.42 0.20 0.07 -4.40 118.68 123.91 2k6y s LEU 22 Ca 0.21 -0.67 -0.04 0.00 0.69 0.00 0.00 54.13 54.32 2k6y s LEU 22 Cb -0.15 -1.24 -0.01 0.00 -0.43 0.00 0.00 46.19 44.36 2k6y s LEU 22 CO 0.17 0.22 0.06 -1.83 -0.29 0.00 0.00 176.35 174.68 2k6y s GLU 23 N -1.65 0.48 -0.51 1.98 -1.05 -1.26 -0.33 118.70 116.37 2k6y s GLU 23 Ca 0.13 -0.64 -0.16 0.00 -0.15 0.00 0.00 54.97 54.15 2k6y s GLU 23 Cb -0.10 0.19 0.10 0.00 -0.44 0.00 0.00 34.13 33.88 2k6y s GLU 23 CO 0.04 -0.11 0.45 1.21 0.95 0.00 0.00 175.26 177.80 2k6y s ASN 24 N -1.78 6.16 0.00 0.83 3.84 -0.22 -4.95 114.94 118.82 2k6y s ASN 24 Ca -0.10 -1.58 0.26 0.00 0.21 0.00 0.00 52.86 51.65 2k6y s ASN 24 Cb -0.05 -2.19 1.11 0.00 -0.55 0.00 0.00 41.25 39.57 2k6y s ASN 24 CO -0.02 -0.76 1.83 -0.81 -2.79 0.00 0.00 177.10 174.55 2k6y n PRO 25 N 5.22 0.01 -1.87 0.43 -0.04 -1.26 -0.76 135.00 136.73 2k6y n PRO 25 Ca -0.13 0.05 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 2k6y n PRO 25 Cb 0.42 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.56 2k6y n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6y n GLY 26 N 1.18 -1.17 0.43 0.55 0.00 -1.26 -4.66 105.19 100.26 2k6y n GLY 26 Ca 0.06 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.67 1.79 -4.50 1.61 9.92 -1.26 -2.57 116.55 117.86 2k6y n ASP 27 Ca 0.16 -1.39 -0.24 0.00 -0.53 0.00 0.00 54.79 52.78 2k6y n ASP 27 Cb 0.54 0.27 -0.10 0.00 -0.64 0.00 0.00 41.12 41.20 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 -1.61 2.67 0.59 0.64 0.05 -1.26 -4.81 118.68 114.95 2k6y s LEU 28 Ca 0.14 -1.01 -0.14 0.00 0.05 0.00 0.00 54.13 53.16 2k6y s LEU 28 Cb 0.12 -1.15 -0.04 0.00 -2.05 0.00 0.00 46.19 43.06 2k6y s LEU 28 CO 0.28 0.00 1.03 -2.16 -0.55 0.00 0.00 176.35 174.95 2k6y s PRO 29 N -3.54 3.52 -0.19 1.48 0.04 -1.26 -4.17 135.00 130.89 2k6y s PRO 29 Ca 0.31 0.99 -0.00 0.00 0.04 0.00 0.00 61.00 62.34 2k6y s PRO 29 Cb -0.04 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.44 2k6y s PRO 29 CO 0.16 -0.63 -0.16 -0.51 0.04 0.00 0.00 177.00 175.89 2k6y s LEU 30 N -4.65 2.31 -0.43 -3.56 1.02 -0.12 -4.96 118.68 108.29 2k6y s LEU 30 Ca 0.59 -0.59 -0.09 0.00 0.02 0.00 0.00 54.13 54.06 2k6y s LEU 30 Cb -0.13 -1.54 0.09 0.00 0.02 0.00 0.00 46.19 44.63 2k6y s LEU 30 CO 0.41 -0.00 0.28 -0.60 0.02 0.00 0.00 176.35 176.45 2k6y s ARG 31 N 1.33 2.56 -0.36 1.70 3.52 -1.26 -0.16 118.95 126.29 2k6y s ARG 31 Ca 0.05 -1.53 -0.18 0.00 -0.13 0.00 0.00 55.73 53.94 2k6y s ARG 31 Cb -0.13 -3.81 -0.00 0.00 -1.56 0.00 0.00 34.95 29.45 2k6y s ARG 31 CO -0.11 -1.01 0.50 -1.17 -0.81 0.00 0.00 175.30 172.70 2k6y s LEU 32 N 1.40 4.40 0.07 -0.88 2.96 -0.08 -0.63 118.68 125.92 2k6y s LEU 32 Ca 0.04 -0.11 0.19 0.00 -0.22 0.00 0.00 54.13 54.03 2k6y s LEU 32 Cb -0.24 -2.55 -0.13 0.00 0.50 0.00 0.00 46.19 43.78 2k6y s LEU 32 CO 0.01 -0.48 0.79 1.33 -1.32 0.00 0.00 176.35 176.68 2k6y n VAL 33 N 5.42 0.86 -3.11 1.68 0.24 0.76 -0.61 118.33 123.58 2k6y n VAL 33 Ca -0.05 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 2k6y n VAL 33 Cb 0.49 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 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 1.34 -1.16 3.56 7.63 0.00 -1.19 -4.41 105.19 110.96 2k6y n GLY 34 Ca -0.08 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 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 0.19 0.09 4.61 0.00 -1.26 -1.01 121.76 123.38 2k6y s ALA 35 Ca 0.00 -1.17 -0.19 0.00 0.00 0.00 0.00 51.96 50.60 2k6y s ALA 35 Cb 0.00 1.06 0.04 0.00 0.00 0.00 0.00 23.12 24.23 2k6y s ALA 35 CO 0.00 -0.84 0.46 1.03 0.00 0.00 0.00 175.76 176.41 2k6y s ARG 36 N -3.34 1.06 0.03 0.00 1.81 -0.37 -4.81 118.95 113.33 2k6y s ARG 36 Ca 0.26 -0.50 -0.27 0.00 -1.72 0.00 0.00 55.73 53.49 2k6y s ARG 36 Cb -0.01 0.47 0.08 0.00 -0.45 0.00 0.00 34.95 35.04 2k6y s ARG 36 CO 0.15 -0.40 0.69 -0.08 -0.68 0.00 0.00 175.30 174.97 2k6y s THR 37 N -3.21 0.00 -0.10 0.02 -1.32 -1.26 -0.29 115.64 109.48 2k6y s THR 37 Ca -0.01 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 60.77 2k6y s THR 37 Cb 0.00 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.32 2k6y s THR 37 CO -0.08 0.00 1.89 1.55 -2.21 0.00 0.00 174.62 175.77 2k6y h PRO 38 N 2.48 0.00 -0.34 7.08 0.13 -2.00 -3.12 132.00 136.23 2k6y h PRO 38 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2k6y h PRO 38 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k6y h PRO 38 CO 0.37 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.47 2k6y n VAL 39 N -2.68 0.41 -3.83 1.56 0.24 -1.26 -3.73 118.33 109.04 2k6y n VAL 39 Ca 0.01 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.34 61.88 2k6y n VAL 39 Cb 0.23 0.05 -0.06 0.00 -1.47 0.00 0.00 33.84 32.59 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 -1.67 -0.39 0.00 2.33 0.00 -1.18 -4.28 121.76 116.57 2k6y s ALA 40 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2k6y s ALA 40 Cb 0.09 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2k6y s ALA 40 CO 0.10 -0.62 0.00 -1.91 0.00 0.00 0.00 175.76 173.33 2k6y n GLU 41 N -0.18 0.00 -2.55 0.00 4.07 -0.73 -4.33 120.64 116.93 2k6y n GLU 41 Ca -0.12 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.61 2k6y n GLU 41 Cb 0.63 -0.11 -0.04 0.00 -0.06 0.00 0.00 31.44 31.86 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 -0.43 4.17 -0.28 5.31 3.52 -1.03 -4.95 118.95 125.27 2k6y s ARG 42 Ca 0.00 1.51 -0.23 0.00 -0.13 0.00 0.00 55.73 56.88 2k6y s ARG 42 Cb 0.00 -2.54 0.11 0.00 -1.56 0.00 0.00 34.95 30.95 2k6y s ARG 42 CO 0.00 -0.13 0.90 0.54 -0.81 0.00 0.00 175.30 175.80 2k6y s VAL 43 N -1.66 0.00 -0.04 7.11 0.11 -1.26 -0.70 120.40 123.95 2k6y s VAL 43 Ca 0.58 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.60 2k6y s VAL 43 Cb -0.22 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.65 2k6y s VAL 43 CO 0.27 0.00 0.10 -1.61 -3.33 0.00 0.00 175.10 170.54 2k6y s GLU 44 N 0.54 0.09 -0.23 1.54 2.02 -0.59 -4.89 118.70 117.18 2k6y s GLU 44 Ca -0.00 0.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.90 2k6y s GLU 44 Cb -0.05 -0.04 0.01 0.00 0.10 0.00 0.00 34.13 34.15 2k6y s GLU 44 CO -0.06 -0.07 1.04 -1.17 0.02 0.00 0.00 175.26 175.01 2k6y s LEU 45 N 0.46 4.10 0.12 1.80 0.20 -1.26 -1.20 118.68 122.91 2k6y s LEU 45 Ca -0.03 1.39 0.03 0.00 0.69 0.00 0.00 54.13 56.21 2k6y s LEU 45 Cb -0.05 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.13 2k6y s LEU 45 CO -0.02 -0.66 0.14 -1.00 -0.29 0.00 0.00 176.35 174.52 2k6y s HIS 46 N 3.17 3.25 0.31 5.38 3.76 0.37 -0.98 115.29 130.54 2k6y s HIS 46 Ca 0.44 0.06 0.07 0.00 -0.15 0.00 0.00 55.06 55.49 2k6y s HIS 46 Cb -0.15 -1.59 -0.03 0.00 1.11 0.00 0.00 32.58 31.91 2k6y s HIS 46 CO 0.06 0.53 0.25 -1.83 -0.85 0.00 0.00 174.74 172.90 2k6y s GLU 47 N -2.82 2.75 -0.23 1.40 -1.05 0.52 -1.01 118.70 118.26 2k6y s GLU 47 Ca 0.31 -1.25 -0.04 0.00 -0.15 0.00 0.00 54.97 53.84 2k6y s GLU 47 Cb -0.11 -2.48 0.12 0.00 -0.44 0.00 0.00 34.13 31.22 2k6y s GLU 47 CO 0.24 0.18 0.41 0.99 0.95 0.00 0.00 175.26 178.03 2k6y s THR 48 N -2.27 -0.65 0.08 1.83 2.01 0.61 -2.32 115.64 114.93 2k6y s THR 48 Ca 0.38 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.45 2k6y s THR 48 Cb -0.06 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 2k6y s THR 48 CO 0.26 -0.04 -0.12 0.72 -0.69 0.00 0.00 174.62 174.74 2k6y s PHE 49 N 2.59 1.13 0.47 4.92 -0.71 -0.46 -3.31 117.98 122.61 2k6y s PHE 49 Ca 0.08 -0.52 -0.14 0.00 -1.04 0.00 0.00 56.93 55.31 2k6y s PHE 49 Cb -0.14 -0.63 -0.07 0.00 -1.21 0.00 0.00 43.02 40.97 2k6y s PHE 49 CO -0.15 0.04 0.90 0.00 -1.34 0.00 0.00 175.22 174.67 2k6y s MET 50 N -2.04 3.90 0.14 1.99 0.23 -1.26 -1.24 119.30 121.01 2k6y s MET 50 Ca -0.00 0.78 -0.19 0.00 -1.03 0.00 0.00 55.69 55.25 2k6y s MET 50 Cb -0.08 -2.23 0.05 0.00 -1.53 0.00 0.00 34.83 31.03 2k6y s MET 50 CO 0.02 -0.17 0.48 0.50 -2.03 0.00 0.00 175.02 173.81 2k6y s ARG 51 N -3.94 1.16 0.21 3.16 6.06 -0.04 -4.88 118.95 120.67 2k6y s ARG 51 Ca 0.56 -0.63 -0.00 0.00 -2.50 0.00 0.00 55.73 53.16 2k6y s ARG 51 Cb -0.10 0.52 -0.04 0.00 0.06 0.00 0.00 34.95 35.38 2k6y s ARG 51 CO 0.30 -0.48 0.39 -1.21 -2.50 0.00 0.00 175.30 171.81 2k6y s GLU 52 N -3.79 3.51 -0.30 5.12 0.41 -1.26 -1.15 118.70 121.24 2k6y s GLU 52 Ca 0.03 -0.39 -0.06 0.00 -0.41 0.00 0.00 54.97 54.14 2k6y s GLU 52 Cb 0.01 -2.84 0.17 0.00 -1.78 0.00 0.00 34.13 29.69 2k6y s GLU 52 CO -0.12 0.40 0.69 0.54 -0.49 0.00 0.00 175.26 176.28 2k6y s VAL 53 N -1.89 -0.89 -1.61 2.63 0.11 -0.72 -4.92 120.40 113.12 2k6y s VAL 53 Ca 0.38 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 2k6y s VAL 53 Cb -0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 2k6y s VAL 53 CO 0.29 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.27 2k6y n GLU 54 N 5.41 -1.56 -1.00 1.54 2.13 -1.26 -0.44 120.64 125.46 2k6y n GLU 54 Ca -0.05 1.03 0.00 0.00 0.66 0.00 0.00 57.16 58.80 2k6y n GLU 54 Cb 0.51 -5.42 0.00 0.00 0.27 0.00 0.00 31.44 26.80 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 -0.11 0.75 3.71 8.31 0.00 -1.26 -5.04 105.19 111.54 2k6y n GLY 55 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.01 4.41 0.22 1.61 -0.14 0.41 -5.07 119.74 121.17 2k6y s LYS 56 Ca 0.00 0.88 -0.30 0.00 -1.36 0.00 0.00 55.97 55.19 2k6y s LYS 56 Cb 0.00 -3.47 -0.09 0.00 -1.68 0.00 0.00 37.83 32.59 2k6y s LYS 56 CO 0.00 -0.01 1.36 0.15 -0.76 0.00 0.00 175.35 176.09 2k6y s LYS 57 N 1.04 4.35 0.17 1.68 3.01 -1.26 -1.75 119.74 126.97 2k6y s LYS 57 Ca 0.37 2.14 -0.09 0.00 -1.01 0.00 0.00 55.97 57.39 2k6y s LYS 57 Cb -0.17 -3.16 -0.01 0.00 -1.01 0.00 0.00 37.83 33.47 2k6y s LYS 57 CO 0.17 -0.31 0.29 0.54 0.51 0.00 0.00 175.35 176.55 2k6y s VAL 58 N 0.04 0.06 0.06 3.17 0.11 -0.30 -4.96 120.40 118.58 2k6y s VAL 58 Ca 0.57 -1.41 0.05 0.00 -2.93 0.00 0.00 61.98 58.27 2k6y s VAL 58 Cb -0.38 -1.89 -0.03 0.00 -1.53 0.00 0.00 36.38 32.55 2k6y s VAL 58 CO 0.40 -0.27 -0.14 0.00 -3.33 0.00 0.00 175.10 171.76 2k6y s MET 59 N -3.98 0.86 0.32 1.54 0.23 -1.26 -0.86 119.30 116.15 2k6y s MET 59 Ca 0.18 -0.91 0.08 0.00 -1.03 0.00 0.00 55.69 54.02 2k6y s MET 59 Cb 0.03 -0.89 -0.06 0.00 -1.53 0.00 0.00 34.83 32.38 2k6y s MET 59 CO 0.01 0.20 -0.08 0.20 -2.03 0.00 0.00 175.02 173.32 2k6y s GLY 60 N -1.58 2.04 0.11 3.16 0.00 -0.38 -4.97 107.32 105.70 2k6y s GLY 60 Ca -0.01 -2.01 0.03 0.00 0.00 0.00 0.00 44.72 42.74 2k6y s GLY 60 CO 0.02 -1.95 -0.09 1.06 0.00 0.00 0.00 173.10 172.13 2k6y s MET 61 N -3.66 0.89 -0.27 2.90 -1.94 -1.26 -1.35 119.30 114.60 2k6y s MET 61 Ca 0.31 -1.25 -0.22 0.00 -1.71 0.00 0.00 55.69 52.82 2k6y s MET 61 Cb 0.03 -0.48 0.08 0.00 2.01 0.00 0.00 34.83 36.46 2k6y s MET 61 CO 0.15 0.06 0.74 1.03 -0.01 0.00 0.00 175.02 176.98 2k6y s ARG 62 N -3.19 0.77 0.50 2.03 0.52 -0.98 -5.01 118.95 113.60 2k6y s ARG 62 Ca 0.09 1.02 -0.22 0.00 -0.52 0.00 0.00 55.73 56.10 2k6y s ARG 62 Cb -0.00 0.32 -0.06 0.00 0.52 0.00 0.00 34.95 35.73 2k6y s ARG 62 CO -0.01 -0.11 1.26 -1.25 0.02 0.00 0.00 175.30 175.21 2k6y s PRO 63 N 0.72 3.46 0.22 3.54 0.04 -1.26 -0.35 135.00 141.37 2k6y s PRO 63 Ca -0.03 2.00 0.11 0.00 0.04 0.00 0.00 61.00 63.12 2k6y s PRO 63 Cb -0.05 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2k6y s PRO 63 CO -0.05 -0.86 -0.20 0.14 0.04 0.00 0.00 177.00 176.07 2k6y s VAL 64 N -1.43 2.54 -0.57 -0.36 -7.23 -0.15 -4.85 120.40 108.36 2k6y s VAL 64 Ca 0.67 -2.08 0.24 0.00 -1.81 0.00 0.00 61.98 59.01 2k6y s VAL 64 Cb -0.34 -2.26 0.26 0.00 0.56 0.00 0.00 36.38 34.60 2k6y s VAL 64 CO 0.41 -0.20 1.73 -0.81 -0.31 0.00 0.00 175.10 175.92 2k6y n PRO 65 N -0.04 0.21 -3.61 4.82 -0.04 -1.26 -4.63 135.00 130.45 2k6y n PRO 65 Ca -0.10 0.35 -0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2k6y n PRO 65 Cb 0.57 -1.84 -0.01 0.00 -0.04 0.00 0.00 33.50 32.18 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 -3.24 -0.06 0.49 0.54 -0.71 -1.26 -4.70 117.98 109.03 2k6y s PHE 66 Ca 0.06 -0.01 0.04 0.00 -1.04 0.00 0.00 56.93 55.98 2k6y s PHE 66 Cb 0.10 0.53 -0.02 0.00 -1.21 0.00 0.00 43.02 42.42 2k6y s PHE 66 CO 0.46 -0.21 0.09 -0.51 -1.34 0.00 0.00 175.22 173.71 2k6y s LEU 67 N -2.64 2.56 0.23 -1.99 1.43 0.22 -5.00 118.68 113.49 2k6y s LEU 67 Ca 0.12 -1.47 -0.13 0.00 -1.03 0.00 0.00 54.13 51.62 2k6y s LEU 67 Cb 0.03 -0.92 -0.00 0.00 0.03 0.00 0.00 46.19 45.33 2k6y s LEU 67 CO -0.04 -0.79 0.46 -1.83 0.23 0.00 0.00 176.35 174.38 2k6y s GLU 68 N -3.92 1.49 -0.03 1.70 -1.05 -1.26 -0.91 118.70 114.73 2k6y s GLU 68 Ca 0.20 -1.20 -0.01 0.00 -0.15 0.00 0.00 54.97 53.81 2k6y s GLU 68 Cb 0.03 0.47 0.03 0.00 -0.44 0.00 0.00 34.13 34.21 2k6y s GLU 68 CO 0.11 -0.62 0.05 0.08 0.95 0.00 0.00 175.26 175.83 2k6y s VAL 69 N -4.00 -0.05 0.87 1.83 1.01 0.78 -4.95 120.40 115.89 2k6y s VAL 69 Ca 0.20 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 2k6y s VAL 69 Cb -0.00 -0.11 0.12 0.00 0.00 0.00 0.00 36.38 36.39 2k6y s VAL 69 CO 0.07 0.08 1.10 -2.16 0.00 0.00 0.00 175.10 174.18 2k6y s PRO 70 N 1.01 1.43 0.47 2.72 0.04 -1.26 -0.95 135.00 138.46 2k6y s PRO 70 Ca -0.08 1.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.78 2k6y s PRO 70 Cb -0.12 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 2k6y s PRO 70 CO -0.03 -2.19 1.41 -1.25 0.04 0.00 0.00 177.00 174.97 2k6y s PRO 71 N -4.84 3.55 0.00 0.56 0.04 -1.26 -2.20 135.00 130.85 2k6y s PRO 71 Ca 0.63 2.38 0.00 0.00 0.04 0.00 0.00 61.00 64.05 2k6y s PRO 71 Cb -0.19 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2k6y s PRO 71 CO 0.57 -0.91 0.00 1.63 0.04 0.00 0.00 177.00 178.33 2k6y n LYS 72 N -0.40 -0.19 -2.82 4.56 4.76 0.06 -4.97 118.16 119.17 2k6y n LYS 72 Ca 0.06 0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 55.13 2k6y n LYS 72 Cb 0.43 -3.88 -0.04 0.00 -1.84 0.00 0.00 35.03 29.70 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 1.73 -0.08 0.72 0.00 -0.94 -4.85 107.32 101.90 2k6y s GLY 73 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 44.72 44.52 2k6y s GLY 73 CO 0.00 1.94 0.36 -1.60 0.00 0.00 0.00 173.10 173.80 2k6y s ARG 74 N 2.99 4.05 0.09 2.90 3.52 -1.26 -1.06 118.95 130.18 2k6y s ARG 74 Ca 0.38 0.27 0.05 0.00 -0.13 0.00 0.00 55.73 56.30 2k6y s ARG 74 Cb -0.15 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 2k6y s ARG 74 CO 0.08 0.47 -0.13 0.14 -0.81 0.00 0.00 175.30 175.04 2k6y s VAL 75 N -0.30 1.12 -0.14 7.11 -7.23 0.55 -4.98 120.40 116.52 2k6y s VAL 75 Ca 0.21 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 2k6y s VAL 75 Cb -0.15 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.59 2k6y s VAL 75 CO 0.09 -0.34 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.70 2k6y s GLU 76 N -2.16 2.29 -1.47 4.82 -6.30 -1.26 -0.75 118.70 113.87 2k6y s GLU 76 Ca 0.02 -0.56 -0.14 0.00 -2.50 0.00 0.00 54.97 51.79 2k6y s GLU 76 Cb -0.07 -2.09 0.03 0.00 0.00 0.00 0.00 34.13 32.00 2k6y s GLU 76 CO 0.02 -0.22 2.27 1.28 0.02 0.00 0.00 175.26 178.63 2k6y n LEU 77 N 4.71 7.01 -4.65 2.70 4.32 -0.53 -4.88 117.00 125.68 2k6y n LEU 77 Ca -0.17 -4.18 -0.46 0.00 -0.02 0.00 0.00 56.01 51.18 2k6y n LEU 77 Cb 0.50 -1.65 -0.03 0.00 -1.62 0.00 0.00 43.42 40.62 2k6y n LEU 77 CO 0.22 1.19 0.99 2.29 -1.22 0.00 0.00 177.39 180.86 2k6y n LYS 78 N 5.83 1.87 -0.20 3.23 2.85 -1.07 -4.32 118.16 126.34 2k6y n LYS 78 Ca 0.54 0.67 -0.02 0.00 -1.05 0.00 0.00 58.31 58.44 2k6y n LYS 78 Cb 0.38 -2.32 0.08 0.00 -0.65 0.00 0.00 35.03 32.52 2k6y n LYS 78 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2k6y h PRO 79 N 4.40 0.55 -4.04 -1.58 0.13 -1.94 0.70 132.00 130.21 2k6y h PRO 79 Ca -0.45 -0.03 -0.67 0.00 -0.87 0.00 0.00 66.00 63.98 2k6y h PRO 79 Cb 1.29 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k6y h PRO 79 CO 0.77 0.36 2.90 0.41 -0.23 0.00 0.00 178.00 182.21 2k6y n GLY 80 N -1.27 3.75 0.00 1.56 0.00 -1.26 -4.19 105.19 103.78 2k6y n GLY 80 Ca 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 4.18 -0.90 3.30 -0.02 0.00 -1.06 -5.00 105.19 105.69 2k6y n GLY 81 Ca 0.53 0.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.58 0.36 1.61 2.02 0.21 -0.29 117.35 120.69 2k6y s TYR 82 Ca 0.00 1.27 -0.16 0.00 -0.37 0.00 0.00 57.07 57.82 2k6y s TYR 82 Cb 0.00 0.25 0.04 0.00 -0.40 0.00 0.00 41.96 41.85 2k6y s TYR 82 CO 0.00 -0.32 0.74 -3.38 -1.57 0.00 0.00 175.55 171.03 2k6y s HIS 83 N 1.09 0.13 -0.14 2.71 -3.43 -0.18 -2.59 115.29 112.88 2k6y s HIS 83 Ca -0.07 -0.73 -0.01 0.00 -0.80 0.00 0.00 55.06 53.45 2k6y s HIS 83 Cb -0.07 0.73 -0.02 0.00 -1.43 0.00 0.00 32.58 31.79 2k6y s HIS 83 CO -0.09 -1.46 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.04 2k6y s PHE 84 N -2.74 2.90 -0.14 0.38 0.08 -0.77 -0.48 117.98 117.21 2k6y s PHE 84 Ca 0.16 -0.47 -0.16 0.00 0.12 0.00 0.00 56.93 56.58 2k6y s PHE 84 Cb -0.05 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 2k6y s PHE 84 CO 0.11 -0.11 0.37 -1.64 -0.10 0.00 0.00 175.22 173.85 2k6y s MET 85 N 0.30 4.29 -0.13 0.44 -1.94 -0.34 -1.57 119.30 120.34 2k6y s MET 85 Ca -0.07 0.25 -0.02 0.00 -1.71 0.00 0.00 55.69 54.13 2k6y s MET 85 Cb -0.15 -3.43 -0.03 0.00 2.01 0.00 0.00 34.83 33.23 2k6y s MET 85 CO 0.04 0.21 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.70 2k6y s LEU 86 N 0.53 3.19 0.04 -0.03 1.43 -0.12 -1.54 118.68 122.17 2k6y s LEU 86 Ca 0.21 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2k6y s LEU 86 Cb -0.14 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 2k6y s LEU 86 CO 0.07 0.22 -0.08 -0.76 0.23 0.00 0.00 176.35 176.03 2k6y s LEU 87 N 0.03 2.27 0.00 1.79 1.43 0.12 -1.46 118.68 122.86 2k6y s LEU 87 Ca -0.00 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2k6y s LEU 87 Cb -0.14 -0.16 0.00 0.00 0.03 0.00 0.00 46.19 45.93 2k6y s LEU 87 CO 0.03 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.00 2k6y n GLY 88 N 1.39 1.75 2.22 -3.19 0.00 -0.17 -1.76 105.19 105.42 2k6y n GLY 88 Ca -0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.51 0.00 0.99 4.77 -1.26 -4.65 117.00 111.35 2k6y n LEU 89 Ca 0.00 0.76 0.11 0.00 -0.03 0.00 0.00 56.01 56.86 2k6y n LEU 89 Cb 0.00 -2.38 0.61 0.00 -2.33 0.00 0.00 43.42 39.33 2k6y n LEU 89 CO 0.00 -1.81 0.87 2.29 -1.33 0.00 0.00 177.39 177.41 2k6y n LYS 90 N 0.30 0.46 -3.82 3.23 2.85 -1.26 -4.57 118.16 115.34 2k6y n LYS 90 Ca 0.01 0.05 -0.12 0.00 -1.05 0.00 0.00 58.31 57.20 2k6y n LYS 90 Cb 0.04 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 32.81 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 -2.38 0.36 0.92 -1.58 0.52 -1.24 -4.99 118.95 110.56 2k6y s ARG 91 Ca 0.26 -0.01 -0.14 0.00 -0.52 0.00 0.00 55.73 55.32 2k6y s ARG 91 Cb 0.15 0.16 0.15 0.00 0.52 0.00 0.00 34.95 35.94 2k6y s ARG 91 CO 0.32 -0.07 1.21 -1.25 0.02 0.00 0.00 175.30 175.53 2k6y s PRO 92 N -0.55 1.04 0.37 3.54 0.04 -1.26 -4.69 135.00 133.49 2k6y s PRO 92 Ca -0.06 -0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.00 2k6y s PRO 92 Cb -0.04 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 2k6y s PRO 92 CO 0.01 -2.21 0.06 -0.51 0.04 0.00 0.00 177.00 174.39 2k6y s LEU 93 N -5.92 2.28 0.00 -3.56 1.02 -1.26 -5.00 118.68 106.23 2k6y s LEU 93 Ca 0.67 -1.45 0.00 0.00 0.02 0.00 0.00 54.13 53.37 2k6y s LEU 93 Cb -0.10 -0.46 0.00 0.00 0.02 0.00 0.00 46.19 45.66 2k6y s LEU 93 CO 0.52 -0.65 0.43 2.29 0.02 0.00 0.00 176.35 178.95 2k6y n LYS 94 N -0.82 -0.16 -0.27 1.70 0.00 -1.26 -4.93 118.16 112.42 2k6y n LYS 94 Ca -0.05 -0.49 0.03 0.00 -0.00 0.00 0.00 58.31 57.80 2k6y n LYS 94 Cb 0.66 -0.83 -0.02 0.00 -0.00 0.00 0.00 35.03 34.85 2k6y n LYS 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k6y n ALA 95 N -0.06 -0.72 -2.35 0.58 0.00 -1.26 -5.04 120.51 111.66 2k6y n ALA 95 Ca 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 2k6y n ALA 95 Cb 0.13 -0.36 0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.32 0.11 3.76 0.00 0.00 -1.26 -5.08 105.19 100.39 2k6y n GLY 96 Ca -0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.96 2.09 0.45 1.61 -1.05 -1.26 -5.09 118.70 111.48 2k6y s GLU 97 Ca 0.11 -1.40 0.08 0.00 -0.15 0.00 0.00 54.97 53.60 2k6y s GLU 97 Cb -0.01 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 2k6y s GLU 97 CO 0.29 -0.96 0.47 -1.83 0.95 0.00 0.00 175.26 174.19 2k6y s GLU 98 N -2.76 2.56 -0.09 -4.83 -1.05 -1.26 -1.10 118.70 110.17 2k6y s GLU 98 Ca 0.17 -1.52 0.01 0.00 -0.15 0.00 0.00 54.97 53.48 2k6y s GLU 98 Cb -0.04 -2.48 0.02 0.00 -0.44 0.00 0.00 34.13 31.19 2k6y s GLU 98 CO 0.12 -0.33 -0.10 0.08 0.95 0.00 0.00 175.26 175.98 2k6y s VAL 99 N -2.49 1.12 0.28 1.83 1.01 0.87 -4.79 120.40 118.22 2k6y s VAL 99 Ca 0.50 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 2k6y s VAL 99 Cb -0.05 -1.07 -0.09 0.00 0.00 0.00 0.00 36.38 35.17 2k6y s VAL 99 CO 0.30 0.37 1.00 -0.70 0.00 0.00 0.00 175.10 176.07 2k6y s GLU 100 N 1.16 4.70 -0.13 2.72 2.12 -1.26 -1.41 118.70 126.60 2k6y s GLU 100 Ca -0.05 1.58 -0.06 0.00 0.36 0.00 0.00 54.97 56.80 2k6y s GLU 100 Cb -0.14 -3.14 0.06 0.00 0.26 0.00 0.00 34.13 31.17 2k6y s GLU 100 CO -0.02 0.34 0.29 -1.17 -0.54 0.00 0.00 175.26 174.15 2k6y s LEU 101 N -1.48 0.07 -0.59 2.70 0.20 0.42 -4.14 118.68 115.86 2k6y s LEU 101 Ca 0.44 0.63 -0.21 0.00 0.69 0.00 0.00 54.13 55.68 2k6y s LEU 101 Cb -0.27 0.85 0.07 0.00 -0.43 0.00 0.00 46.19 46.42 2k6y s LEU 101 CO 0.34 -0.19 0.82 -1.81 -0.29 0.00 0.00 176.35 175.21 2k6y s ASP 102 N 1.69 6.21 -0.41 3.68 1.01 0.61 -0.26 116.67 129.20 2k6y s ASP 102 Ca -0.06 -0.98 -0.29 0.00 0.71 0.00 0.00 52.55 51.93 2k6y s ASP 102 Cb -0.11 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.48 2k6y s ASP 102 CO -0.09 -1.20 1.20 -0.76 0.21 0.00 0.00 175.17 174.52 2k6y s LEU 103 N 3.38 3.71 -0.22 1.23 1.43 -0.34 -1.23 118.68 126.64 2k6y s LEU 103 Ca 0.19 0.74 -0.19 0.00 -1.03 0.00 0.00 54.13 53.84 2k6y s LEU 103 Cb -0.18 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 2k6y s LEU 103 CO 0.11 -1.19 0.57 -0.76 0.23 0.00 0.00 176.35 175.30 2k6y s LEU 104 N 4.47 4.11 -0.06 1.79 1.43 -0.18 -1.27 118.68 128.97 2k6y s LEU 104 Ca 0.51 0.69 0.06 0.00 -1.03 0.00 0.00 54.13 54.35 2k6y s LEU 104 Cb -0.10 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 2k6y s LEU 104 CO 0.28 -0.26 -0.23 -0.36 0.23 0.00 0.00 176.35 176.01 2k6y s PHE 105 N 2.00 2.27 0.49 0.29 0.08 -0.22 -0.17 117.98 122.73 2k6y s PHE 105 Ca 0.25 -0.69 0.21 0.00 0.12 0.00 0.00 56.93 56.82 2k6y s PHE 105 Cb -0.16 -1.50 1.34 0.00 -0.57 0.00 0.00 43.02 42.14 2k6y s PHE 105 CO 0.09 -0.22 2.11 0.00 -0.10 0.00 0.00 175.22 177.10 2k6y h ALA 106 N 6.15 1.67 0.00 5.36 0.00 -1.13 -2.91 119.26 128.40 2k6y h ALA 106 Ca -0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k6y h ALA 106 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k6y h ALA 106 CO 0.47 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2k6y n GLY 107 N -1.17 1.56 2.76 0.00 0.00 -1.26 -4.74 105.19 102.34 2k6y n GLY 107 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.75 -0.06 3.00 -0.02 0.00 -1.19 -5.05 105.19 102.63 2k6y n GLY 108 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.41 0.37 -0.01 1.61 3.01 -1.10 -5.08 119.74 113.13 2k6y s LYS 109 Ca 0.20 -0.66 0.02 0.00 -1.01 0.00 0.00 55.97 54.52 2k6y s LYS 109 Cb -0.09 0.01 0.00 0.00 -1.01 0.00 0.00 37.83 36.74 2k6y s LYS 109 CO 0.48 -0.02 -0.06 0.54 0.51 0.00 0.00 175.35 176.80 2k6y s VAL 110 N -1.49 0.52 -0.30 3.17 0.11 -1.26 -1.05 120.40 120.09 2k6y s VAL 110 Ca -0.14 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 2k6y s VAL 110 Cb -0.10 -0.47 0.08 0.00 -1.53 0.00 0.00 36.38 34.37 2k6y s VAL 110 CO -0.01 0.17 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.14 2k6y s LEU 111 N 0.13 4.08 -0.07 2.54 1.43 -0.40 -4.95 118.68 121.44 2k6y s LEU 111 Ca -0.01 -1.78 -0.26 0.00 -1.03 0.00 0.00 54.13 51.05 2k6y s LEU 111 Cb -0.06 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2k6y s LEU 111 CO -0.00 -0.29 0.81 -0.75 0.23 0.00 0.00 176.35 176.35 2k6y s LYS 112 N 1.01 4.44 0.03 1.70 2.20 -1.26 -1.20 119.74 126.65 2k6y s LYS 112 Ca 0.01 1.07 0.01 0.00 -0.36 0.00 0.00 55.97 56.70 2k6y s LYS 112 Cb -0.19 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 2k6y s LYS 112 CO -0.07 -0.06 -0.04 0.14 -0.36 0.00 0.00 175.35 174.96 2k6y s VAL 113 N 1.18 0.21 0.23 4.02 -7.23 0.65 -4.96 120.40 114.50 2k6y s VAL 113 Ca 0.42 -0.95 -0.08 0.00 -1.81 0.00 0.00 61.98 59.56 2k6y s VAL 113 Cb -0.18 -0.34 -0.07 0.00 0.56 0.00 0.00 36.38 36.35 2k6y s VAL 113 CO 0.20 -0.47 0.53 0.68 -0.31 0.00 0.00 175.10 175.73 2k6y s VAL 114 N -1.43 4.98 -0.01 1.32 -7.23 -1.26 -0.44 120.40 116.32 2k6y s VAL 114 Ca -0.14 0.35 -0.14 0.00 -1.81 0.00 0.00 61.98 60.23 2k6y s VAL 114 Cb -0.10 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.22 2k6y s VAL 114 CO -0.01 -0.11 0.30 -0.76 -0.31 0.00 0.00 175.10 174.22 2k6y s LEU 115 N -2.94 0.88 0.65 1.32 1.43 -0.50 -4.97 118.68 114.56 2k6y s LEU 115 Ca 0.46 0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.48 2k6y s LEU 115 Cb -0.11 1.24 -0.01 0.00 0.03 0.00 0.00 46.19 47.34 2k6y s LEU 115 CO 0.23 -0.45 1.08 -2.16 0.23 0.00 0.00 176.35 175.28 2k6y s PRO 116 N -1.36 2.97 0.22 1.29 0.04 -1.26 -0.09 135.00 136.81 2k6y s PRO 116 Ca -0.13 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 61.96 2k6y s PRO 116 Cb -0.05 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2k6y s PRO 116 CO 0.04 -1.10 0.67 0.08 0.04 0.00 0.00 177.00 176.73 2k6y s VAL 117 N -2.56 4.69 0.08 -0.36 1.01 -0.25 -1.44 120.40 121.56 2k6y s VAL 117 Ca 0.64 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.71 2k6y s VAL 117 Cb -0.17 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2k6y s VAL 117 CO 0.43 0.13 -0.12 -0.70 0.00 0.00 0.00 175.10 174.85 2k6y s GLU 118 N -2.19 0.81 0.18 2.72 -6.30 0.15 -4.73 118.70 109.34 2k6y s GLU 118 Ca 0.44 -1.03 -0.02 0.00 -2.50 0.00 0.00 54.97 51.86 2k6y s GLU 118 Cb -0.15 -0.64 -0.04 0.00 0.00 0.00 0.00 34.13 33.30 2k6y s GLU 118 CO 0.20 0.12 0.13 0.00 0.02 0.00 0.00 175.26 175.73 2k6y s ALA 119 N -1.83 0.97 0.00 6.30 0.00 -1.26 -0.71 121.76 125.24 2k6y s ALA 119 Ca 0.01 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.40 2k6y s ALA 119 Cb -0.07 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.27 2k6y s ALA 119 CO 0.01 -0.58 0.00 2.89 0.00 0.00 0.00 175.76 178.08