#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 -7.61 -3.61 1.61 7.64 -1.26 -5.15 113.62 105.25 2k6y n SER 2 Ca 0.00 1.06 -0.09 0.00 1.01 0.00 0.00 58.87 60.85 2k6y n SER 2 Cb 0.00 -3.87 -0.06 0.00 -1.01 0.00 0.00 64.21 59.28 2k6y n SER 2 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2k6y s PHE 3 N -2.70 -0.38 0.10 1.43 -0.12 -1.26 -5.05 117.98 110.01 2k6y s PHE 3 Ca 0.00 0.79 0.00 0.00 -0.05 0.00 0.00 56.93 57.67 2k6y s PHE 3 Cb 0.00 0.42 0.00 0.00 -0.63 0.00 0.00 43.02 42.81 2k6y s PHE 3 CO 0.00 -0.26 0.00 0.25 -0.05 0.00 0.00 175.22 175.16 2k6y n THR 4 N 1.37 0.00 -4.13 -4.49 -2.24 -1.26 -5.10 114.28 98.43 2k6y n THR 4 Ca -0.11 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 2k6y n THR 4 Cb 0.57 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 2k6y n THR 4 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k6y n GLU 5 N -2.72 0.53 -3.58 -0.78 1.02 -1.26 -4.75 120.64 109.11 2k6y n GLU 5 Ca 0.00 -1.10 -0.20 0.00 -0.02 0.00 0.00 57.16 55.85 2k6y n GLU 5 Cb 0.00 0.72 -0.01 0.00 -0.02 0.00 0.00 31.44 32.13 2k6y n GLU 5 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k6y s GLY 6 N -1.79 1.66 -0.13 0.62 0.00 -1.26 -0.71 107.32 105.71 2k6y s GLY 6 Ca 0.09 -1.53 -0.09 0.00 0.00 0.00 0.00 44.72 43.20 2k6y s GLY 6 CO 0.07 -1.44 0.32 0.66 0.00 0.00 0.00 173.10 172.71 2k6y s TRP 7 N -2.22 -0.42 0.04 1.90 -2.14 -0.31 -4.26 118.94 111.53 2k6y s TRP 7 Ca 0.44 0.96 -0.17 0.00 2.66 0.00 0.00 56.10 59.99 2k6y s TRP 7 Cb -0.08 0.14 -0.06 0.00 -3.10 0.00 0.00 33.47 30.37 2k6y s TRP 7 CO 0.30 -0.24 0.49 0.08 -2.66 0.00 0.00 176.95 174.92 2k6y s VAL 8 N 0.82 4.89 -0.13 -0.66 1.01 -0.53 -1.52 120.40 124.27 2k6y s VAL 8 Ca -0.05 1.02 0.19 0.00 0.00 0.00 0.00 61.98 63.13 2k6y s VAL 8 Cb -0.06 -3.80 -0.17 0.00 0.00 0.00 0.00 36.38 32.35 2k6y s VAL 8 CO -0.06 0.56 0.68 -1.14 0.00 0.00 0.00 175.10 175.14 2k6y n ARG 9 N 1.74 0.64 -1.16 2.72 0.63 0.23 -0.39 116.66 121.07 2k6y n ARG 9 Ca -0.12 0.09 0.15 0.00 -0.92 0.00 0.00 57.85 57.06 2k6y n ARG 9 Cb 0.52 -1.71 -0.05 0.00 0.45 0.00 0.00 32.46 31.66 2k6y n ARG 9 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2k6y n PHE 10 N -2.72 -2.96 0.00 -0.14 -0.00 -1.22 -2.83 117.46 107.60 2k6y n PHE 10 Ca -0.11 1.51 0.00 0.00 -0.00 0.00 0.00 57.45 58.85 2k6y n PHE 10 Cb 0.79 -2.68 0.00 0.00 -0.00 0.00 0.00 39.48 37.59 2k6y n PHE 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2k6y n SER 11 N -3.77 0.00 0.00 -2.13 7.64 -1.26 -4.46 113.62 109.64 2k6y n SER 11 Ca -0.01 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.97 2k6y n SER 11 Cb 0.53 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 64.26 2k6y n SER 11 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k6y n PRO 12 N -0.18 0.25 0.00 1.43 -0.04 -1.26 -4.68 135.00 130.51 2k6y n PRO 12 Ca 0.00 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2k6y n PRO 12 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.56 2.37 0.02 0.55 0.00 -1.26 -4.78 105.19 102.65 2k6y n GLY 13 Ca 0.09 -2.04 0.14 0.00 0.00 0.00 0.00 46.02 44.21 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 0.16 0.25 -4.46 1.61 -0.04 -1.26 -5.01 135.00 126.25 2k6y n PRO 14 Ca 0.00 -0.04 -0.23 0.00 -0.04 0.00 0.00 63.50 63.20 2k6y n PRO 14 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.77 2.39 0.12 3.54 2.20 -1.26 -0.99 114.94 118.16 2k6y s ASN 15 Ca 0.21 -1.53 -0.09 0.00 -0.94 0.00 0.00 52.86 50.51 2k6y s ASN 15 Cb 0.19 0.26 0.03 0.00 -2.00 0.00 0.00 41.25 39.73 2k6y s ASN 15 CO 0.51 -0.79 0.45 0.00 -2.94 0.00 0.00 177.10 174.33 2k6y n ALA 16 N -0.76 -1.12 -2.35 3.54 0.00 0.06 -4.47 120.51 115.41 2k6y n ALA 16 Ca -0.04 -0.52 -0.18 0.00 0.00 0.00 0.00 53.44 52.70 2k6y n ALA 16 Cb 0.66 0.34 -0.10 0.00 0.00 0.00 0.00 19.45 20.35 2k6y n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k6y s ALA 17 N -1.50 1.91 0.17 0.00 0.00 -1.26 -0.95 121.76 120.12 2k6y s ALA 17 Ca 0.10 -1.79 -0.18 0.00 0.00 0.00 0.00 51.96 50.09 2k6y s ALA 17 Cb -0.02 0.44 0.04 0.00 0.00 0.00 0.00 23.12 23.58 2k6y s ALA 17 CO 0.04 -0.22 0.49 0.00 0.00 0.00 0.00 175.76 176.07 2k6y s ALA 18 N -3.35 -1.04 0.20 0.00 0.00 -0.74 -0.60 121.76 116.23 2k6y s ALA 18 Ca 0.29 -0.05 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 2k6y s ALA 18 Cb 0.05 0.81 0.03 0.00 0.00 0.00 0.00 23.12 24.01 2k6y s ALA 18 CO 0.09 -0.74 0.53 0.71 0.00 0.00 0.00 175.76 176.34 2k6y s TYR 19 N -3.83 -0.10 0.17 0.00 1.51 -0.58 -1.23 117.35 113.29 2k6y s TYR 19 Ca 0.06 -0.25 -0.23 0.00 -1.01 0.00 0.00 57.07 55.64 2k6y s TYR 19 Cb -0.00 0.39 0.07 0.00 -0.11 0.00 0.00 41.96 42.31 2k6y s TYR 19 CO -0.08 -0.93 0.63 -0.48 -1.11 0.00 0.00 175.55 173.59 2k6y s LEU 20 N -2.88 -0.52 0.02 -1.29 2.34 -1.26 -1.17 118.68 113.92 2k6y s LEU 20 Ca 0.10 -0.08 -0.30 0.00 0.06 0.00 0.00 54.13 53.91 2k6y s LEU 20 Cb -0.01 2.58 -0.06 0.00 -0.56 0.00 0.00 46.19 48.14 2k6y s LEU 20 CO -0.02 -1.00 1.42 -0.89 -1.06 0.00 0.00 176.35 174.80 2k6y s THR 21 N -3.73 3.62 -0.04 5.48 2.01 0.11 -1.27 115.64 121.81 2k6y s THR 21 Ca 0.03 1.03 0.01 0.00 0.31 0.00 0.00 61.69 63.06 2k6y s THR 21 Cb -0.02 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.85 2k6y s THR 21 CO -0.10 0.01 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.57 2k6y s LEU 22 N 2.30 1.31 -0.02 4.42 1.98 -0.48 -4.55 118.68 123.65 2k6y s LEU 22 Ca 0.65 -0.12 -0.21 0.00 -2.89 0.00 0.00 54.13 51.56 2k6y s LEU 22 Cb -0.33 -0.43 0.04 0.00 0.66 0.00 0.00 46.19 46.14 2k6y s LEU 22 CO 0.27 -0.06 0.46 -1.83 -1.89 0.00 0.00 176.35 173.30 2k6y s GLU 23 N 0.93 0.85 -0.46 1.98 -1.05 -1.26 -0.43 118.70 119.25 2k6y s GLU 23 Ca -0.11 -0.06 -0.12 0.00 -0.15 0.00 0.00 54.97 54.53 2k6y s GLU 23 Cb -0.14 0.39 0.09 0.00 -0.44 0.00 0.00 34.13 34.02 2k6y s GLU 23 CO -0.00 -0.26 0.35 1.21 0.95 0.00 0.00 175.26 177.51 2k6y s ASN 24 N -1.39 5.89 0.02 0.83 3.84 -0.09 -4.95 114.94 119.09 2k6y s ASN 24 Ca -0.11 -1.54 0.28 0.00 0.21 0.00 0.00 52.86 51.70 2k6y s ASN 24 Cb -0.03 -2.08 1.19 0.00 -0.55 0.00 0.00 41.25 39.77 2k6y s ASN 24 CO 0.05 -0.64 1.91 -0.81 -2.79 0.00 0.00 177.10 174.82 2k6y n PRO 25 N 5.05 0.03 -1.73 0.43 -0.04 -1.26 -0.99 135.00 136.49 2k6y n PRO 25 Ca -0.11 0.03 -0.19 0.00 -0.04 0.00 0.00 63.50 63.18 2k6y n PRO 25 Cb 0.42 -1.53 0.12 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.45 -0.38 0.46 0.55 0.00 -1.26 -4.65 105.19 101.37 2k6y n GLY 26 Ca 0.07 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.29 1.88 -4.46 1.61 9.92 -1.26 -2.43 116.55 118.53 2k6y n ASP 27 Ca 0.12 -1.44 -0.23 0.00 -0.53 0.00 0.00 54.79 52.71 2k6y n ASP 27 Cb 0.43 0.26 -0.10 0.00 -0.64 0.00 0.00 41.12 41.07 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 -1.66 2.60 0.41 0.64 0.05 -1.26 -4.82 118.68 114.64 2k6y s LEU 28 Ca 0.15 -1.07 -0.22 0.00 0.05 0.00 0.00 54.13 53.04 2k6y s LEU 28 Cb 0.12 -0.96 -0.11 0.00 -2.05 0.00 0.00 46.19 43.19 2k6y s LEU 28 CO 0.29 -0.07 0.95 -2.16 -0.55 0.00 0.00 176.35 174.81 2k6y s PRO 29 N -3.57 4.27 -0.20 1.48 0.04 -1.26 -4.17 135.00 131.58 2k6y s PRO 29 Ca 0.29 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.47 2k6y s PRO 29 Cb -0.02 -2.28 -0.00 0.00 0.04 0.00 0.00 34.50 32.24 2k6y s PRO 29 CO 0.13 0.00 -0.09 -0.51 0.04 0.00 0.00 177.00 176.58 2k6y s LEU 30 N -3.00 2.69 -0.44 -3.56 1.02 -0.54 -4.98 118.68 109.87 2k6y s LEU 30 Ca 0.60 -0.45 -0.10 0.00 0.02 0.00 0.00 54.13 54.20 2k6y s LEU 30 Cb -0.11 -1.66 0.09 0.00 0.02 0.00 0.00 46.19 44.52 2k6y s LEU 30 CO 0.15 0.00 0.30 -0.60 0.02 0.00 0.00 176.35 176.22 2k6y s ARG 31 N 1.33 2.63 -0.32 1.70 3.52 -1.26 -0.43 118.95 126.12 2k6y s ARG 31 Ca 0.04 -1.51 -0.19 0.00 -0.13 0.00 0.00 55.73 53.94 2k6y s ARG 31 Cb -0.14 -3.86 -0.01 0.00 -1.56 0.00 0.00 34.95 29.38 2k6y s ARG 31 CO -0.05 -1.02 0.57 -1.17 -0.81 0.00 0.00 175.30 172.83 2k6y s LEU 32 N 1.44 4.21 0.03 -0.88 2.96 0.13 -3.00 118.68 123.57 2k6y s LEU 32 Ca 0.04 0.25 0.20 0.00 -0.22 0.00 0.00 54.13 54.39 2k6y s LEU 32 Cb -0.24 -2.71 -0.19 0.00 0.50 0.00 0.00 46.19 43.55 2k6y s LEU 32 CO 0.02 -0.47 0.65 1.33 -1.32 0.00 0.00 176.35 176.56 2k6y n VAL 33 N 5.40 0.67 -3.08 1.68 0.24 0.70 -0.63 118.33 123.31 2k6y n VAL 33 Ca -0.03 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 2k6y n VAL 33 Cb 0.49 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 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 1.35 -0.66 2.72 7.63 0.00 -1.19 -4.57 105.19 110.46 2k6y n GLY 34 Ca -0.09 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 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 0.59 -3.44 4.61 0.00 -1.26 -1.10 120.51 119.90 2k6y n ALA 35 Ca 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 53.44 51.66 2k6y n ALA 35 Cb 0.00 1.30 -0.10 0.00 0.00 0.00 0.00 19.45 20.65 2k6y n ALA 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k6y s ARG 36 N -3.17 0.46 -0.00 0.00 3.00 -0.26 -4.86 118.95 114.12 2k6y s ARG 36 Ca 0.31 0.66 -0.20 0.00 -1.00 0.00 0.00 55.73 55.50 2k6y s ARG 36 Cb 0.02 0.16 0.04 0.00 0.00 0.00 0.00 34.95 35.16 2k6y s ARG 36 CO 0.22 -0.09 0.43 -0.08 0.00 0.00 0.00 175.30 175.78 2k6y s THR 37 N 0.60 0.04 -0.16 4.11 -1.32 -1.26 -0.61 115.64 117.04 2k6y s THR 37 Ca -0.03 -0.35 0.29 0.00 -1.21 0.00 0.00 61.69 60.39 2k6y s THR 37 Cb -0.05 -0.82 0.34 0.00 -1.51 0.00 0.00 72.50 70.47 2k6y s THR 37 CO -0.04 -0.19 1.86 1.55 -2.21 0.00 0.00 174.62 175.59 2k6y h PRO 38 N 3.37 0.00 -0.01 7.08 0.13 -1.99 -3.29 132.00 137.28 2k6y h PRO 38 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2k6y h PRO 38 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k6y h PRO 38 CO 0.41 0.00 -0.10 1.33 -0.23 0.00 0.00 178.00 179.41 2k6y n VAL 39 N -2.83 0.00 -3.72 1.56 0.24 -1.26 -4.40 118.33 107.92 2k6y n VAL 39 Ca 0.02 -0.20 -0.10 0.00 -2.04 0.00 0.00 64.34 62.02 2k6y n VAL 39 Cb 0.32 0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 33.10 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 -2.21 -0.94 0.00 2.33 0.00 -1.24 -3.35 121.76 116.35 2k6y s ALA 40 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2k6y s ALA 40 Cb 0.20 0.83 0.00 0.00 0.00 0.00 0.00 23.12 24.16 2k6y s ALA 40 CO 0.41 -0.78 0.00 -1.91 0.00 0.00 0.00 175.76 173.48 2k6y n GLU 41 N -0.32 0.00 -2.49 0.00 4.07 0.29 -4.63 120.64 117.55 2k6y n GLU 41 Ca -0.11 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.59 2k6y n GLU 41 Cb 0.63 -0.01 -0.02 0.00 -0.06 0.00 0.00 31.44 31.97 2k6y n GLU 41 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2k6y s ARG 42 N 0.00 3.56 0.28 5.31 3.52 0.03 -4.92 118.95 126.73 2k6y s ARG 42 Ca 0.00 -1.32 -0.29 0.00 -0.13 0.00 0.00 55.73 53.99 2k6y s ARG 42 Cb 0.00 -5.38 -0.10 0.00 -1.56 0.00 0.00 34.95 27.91 2k6y s ARG 42 CO 0.00 -2.43 1.18 0.54 -0.81 0.00 0.00 175.30 173.78 2k6y s VAL 43 N 5.55 3.25 -0.04 7.11 0.11 -1.26 -0.56 120.40 134.56 2k6y s VAL 43 Ca 0.52 1.23 -0.00 0.00 -2.93 0.00 0.00 61.98 60.80 2k6y s VAL 43 Cb 0.01 -3.78 0.03 0.00 -1.53 0.00 0.00 36.38 31.10 2k6y s VAL 43 CO -0.02 0.28 -0.01 -1.61 -3.33 0.00 0.00 175.10 170.41 2k6y s GLU 44 N -1.37 0.48 -0.20 1.54 2.02 0.14 -4.94 118.70 116.38 2k6y s GLU 44 Ca 0.47 0.06 -0.27 0.00 0.02 0.00 0.00 54.97 55.25 2k6y s GLU 44 Cb -0.35 -0.70 -0.00 0.00 0.10 0.00 0.00 34.13 33.18 2k6y s GLU 44 CO 0.44 -0.18 0.94 -1.17 0.02 0.00 0.00 175.26 175.31 2k6y s LEU 45 N 1.32 4.13 0.11 1.80 0.20 -1.26 -0.67 118.68 124.32 2k6y s LEU 45 Ca -0.05 1.27 0.05 0.00 0.69 0.00 0.00 54.13 56.09 2k6y s LEU 45 Cb -0.13 -3.39 -0.04 0.00 -0.43 0.00 0.00 46.19 42.20 2k6y s LEU 45 CO -0.02 -0.54 0.06 -1.00 -0.29 0.00 0.00 176.35 174.55 2k6y s HIS 46 N 2.71 3.07 0.65 5.38 3.76 0.14 -1.04 115.29 129.96 2k6y s HIS 46 Ca 0.41 -0.00 -0.01 0.00 -0.15 0.00 0.00 55.06 55.31 2k6y s HIS 46 Cb -0.16 -1.54 0.08 0.00 1.11 0.00 0.00 32.58 32.07 2k6y s HIS 46 CO 0.09 0.51 0.90 -1.83 -0.85 0.00 0.00 174.74 173.56 2k6y s GLU 47 N -2.59 2.12 -0.32 1.40 -1.05 0.09 -1.13 118.70 117.23 2k6y s GLU 47 Ca 0.28 -0.83 0.01 0.00 -0.15 0.00 0.00 54.97 54.28 2k6y s GLU 47 Cb -0.11 -2.37 0.15 0.00 -0.44 0.00 0.00 34.13 31.35 2k6y s GLU 47 CO 0.21 -1.10 0.35 0.99 0.95 0.00 0.00 175.26 176.66 2k6y s THR 48 N -3.00 -0.44 0.16 1.83 2.01 0.59 -3.04 115.64 113.75 2k6y s THR 48 Ca 0.61 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 62.07 2k6y s THR 48 Cb -0.08 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 2k6y s THR 48 CO 0.42 -0.46 0.04 0.72 -0.69 0.00 0.00 174.62 174.64 2k6y s PHE 49 N 2.08 2.95 0.19 4.92 -0.71 -0.55 -3.39 117.98 123.47 2k6y s PHE 49 Ca 0.12 -0.08 -0.20 0.00 -1.04 0.00 0.00 56.93 55.73 2k6y s PHE 49 Cb -0.14 -1.44 -0.08 0.00 -1.21 0.00 0.00 43.02 40.15 2k6y s PHE 49 CO -0.22 0.51 0.70 -1.64 -1.34 0.00 0.00 175.22 173.23 2k6y s MET 50 N -2.88 4.27 0.24 1.99 -1.94 -1.26 -0.96 119.30 118.76 2k6y s MET 50 Ca 0.28 0.87 -0.17 0.00 -1.71 0.00 0.00 55.69 54.96 2k6y s MET 50 Cb -0.10 -2.98 0.01 0.00 2.01 0.00 0.00 34.83 33.78 2k6y s MET 50 CO 0.20 0.45 0.56 -0.98 -0.01 0.00 0.00 175.02 175.25 2k6y s ARG 51 N -1.75 1.55 0.58 2.03 1.70 -0.37 -4.95 118.95 117.74 2k6y s ARG 51 Ca 0.40 -1.03 -0.13 0.00 -0.47 0.00 0.00 55.73 54.50 2k6y s ARG 51 Cb -0.18 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.68 2k6y s ARG 51 CO 0.21 -0.67 1.01 -1.21 -1.08 0.00 0.00 175.30 173.57 2k6y s GLU 52 N -3.93 3.71 0.00 3.89 8.01 -1.26 -0.21 118.70 128.90 2k6y s GLU 52 Ca 0.14 0.85 0.00 0.00 0.01 0.00 0.00 54.97 55.97 2k6y s GLU 52 Cb -0.02 -2.10 0.00 0.00 -4.31 0.00 0.00 34.13 27.70 2k6y s GLU 52 CO 0.04 -0.47 0.00 0.28 0.01 0.00 0.00 175.26 175.11 2k6y n VAL 53 N -2.29 0.00 -1.13 2.63 0.31 -0.55 -4.77 118.33 112.53 2k6y n VAL 53 Ca 0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.14 2k6y n VAL 53 Cb 0.54 -0.01 -0.09 0.00 -0.91 0.00 0.00 33.84 33.37 2k6y n VAL 53 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2k6y n GLU 54 N -0.08 2.83 0.00 5.55 2.13 -1.26 -4.61 120.64 125.20 2k6y n GLU 54 Ca 0.00 -1.60 0.00 0.00 0.66 0.00 0.00 57.16 56.22 2k6y n GLU 54 Cb 0.00 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.30 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 3.09 1.19 3.79 8.31 0.00 -1.26 -4.92 105.19 115.39 2k6y n GLY 55 Ca 0.61 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.41 2k6y n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6y s LYS 56 N 0.00 2.64 0.25 1.61 1.02 -1.26 -4.98 119.74 119.01 2k6y s LYS 56 Ca 0.00 -1.31 -0.30 0.00 0.02 0.00 0.00 55.97 54.38 2k6y s LYS 56 Cb 0.00 -2.39 -0.10 0.00 -0.52 0.00 0.00 37.83 34.82 2k6y s LYS 56 CO 0.00 0.20 1.39 0.15 -0.92 0.00 0.00 175.35 176.17 2k6y s LYS 57 N -3.89 4.31 0.08 1.68 -0.14 -1.26 -1.48 119.74 119.05 2k6y s LYS 57 Ca 0.37 2.23 -0.05 0.00 -1.36 0.00 0.00 55.97 57.15 2k6y s LYS 57 Cb -0.06 -3.12 -0.02 0.00 -1.68 0.00 0.00 37.83 32.95 2k6y s LYS 57 CO 0.24 -0.34 0.11 0.08 -0.76 0.00 0.00 175.35 174.68 2k6y s VAL 58 N -0.15 0.17 0.72 3.17 1.01 0.71 -4.88 120.40 121.14 2k6y s VAL 58 Ca 0.57 -1.45 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 2k6y s VAL 58 Cb -0.40 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2k6y s VAL 58 CO 0.43 -0.76 1.11 -0.04 0.00 0.00 0.00 175.10 175.84 2k6y s MET 59 N -3.89 2.76 -0.04 2.72 -1.94 -1.26 -1.24 119.30 116.41 2k6y s MET 59 Ca 0.07 0.43 -0.06 0.00 -1.71 0.00 0.00 55.69 54.42 2k6y s MET 59 Cb 0.06 -2.01 0.01 0.00 2.01 0.00 0.00 34.83 34.90 2k6y s MET 59 CO -0.10 -1.10 0.14 0.20 -0.01 0.00 0.00 175.02 174.15 2k6y s GLY 60 N -4.38 -0.06 0.01 -0.03 0.00 -0.13 -4.86 107.32 97.87 2k6y s GLY 60 Ca 0.59 0.23 0.09 0.00 0.00 0.00 0.00 44.72 45.62 2k6y s GLY 60 CO 0.51 0.15 -0.26 1.06 0.00 0.00 0.00 173.10 174.56 2k6y s MET 61 N -0.38 1.95 -0.29 2.90 -1.94 -1.26 -1.48 119.30 118.79 2k6y s MET 61 Ca -0.05 -1.02 -0.16 0.00 -1.71 0.00 0.00 55.69 52.75 2k6y s MET 61 Cb -0.03 -2.01 0.17 0.00 2.01 0.00 0.00 34.83 34.97 2k6y s MET 61 CO 0.01 0.53 1.08 0.50 -0.01 0.00 0.00 175.02 177.13 2k6y s ARG 62 N -0.93 0.24 0.48 2.03 3.52 -1.17 -5.03 118.95 118.10 2k6y s ARG 62 Ca 0.11 0.46 -0.23 0.00 -0.13 0.00 0.00 55.73 55.94 2k6y s ARG 62 Cb -0.10 0.12 -0.07 0.00 -1.56 0.00 0.00 34.95 33.34 2k6y s ARG 62 CO 0.01 -0.06 1.24 -1.25 -0.81 0.00 0.00 175.30 174.42 2k6y s PRO 63 N 1.51 3.58 0.21 5.12 0.04 -1.26 -0.74 135.00 143.46 2k6y s PRO 63 Ca -0.07 1.95 0.10 0.00 0.04 0.00 0.00 61.00 63.02 2k6y s PRO 63 Cb -0.03 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 2k6y s PRO 63 CO -0.14 -0.74 -0.20 0.14 0.04 0.00 0.00 177.00 176.10 2k6y s VAL 64 N -1.45 2.15 0.20 -0.36 -7.23 -0.20 -4.83 120.40 108.69 2k6y s VAL 64 Ca 0.65 -2.12 0.24 0.00 -1.81 0.00 0.00 61.98 58.95 2k6y s VAL 64 Cb -0.33 -2.08 0.24 0.00 0.56 0.00 0.00 36.38 34.77 2k6y s VAL 64 CO 0.40 -0.31 1.87 1.55 -0.31 0.00 0.00 175.10 178.30 2k6y h PRO 65 N 2.90 0.00 -1.59 4.82 0.13 -1.92 -3.44 132.00 132.89 2k6y h PRO 65 Ca -0.42 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 64.98 2k6y h PRO 65 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 2k6y h PRO 65 CO 0.54 0.22 0.77 -0.59 -0.23 0.00 0.00 178.00 178.70 2k6y s PHE 66 N -3.77 -0.10 0.45 1.56 -0.12 -1.26 -4.73 117.98 110.02 2k6y s PHE 66 Ca -0.00 -0.01 0.06 0.00 -0.05 0.00 0.00 56.93 56.92 2k6y s PHE 66 Cb 0.11 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 43.01 2k6y s PHE 66 CO 0.63 -0.32 0.15 -0.51 -0.05 0.00 0.00 175.22 175.12 2k6y s LEU 67 N -2.69 2.85 0.18 -1.99 1.43 0.20 -5.00 118.68 113.65 2k6y s LEU 67 Ca 0.12 -1.27 -0.18 0.00 -1.03 0.00 0.00 54.13 51.77 2k6y s LEU 67 Cb 0.02 -1.17 0.03 0.00 0.03 0.00 0.00 46.19 45.11 2k6y s LEU 67 CO -0.04 -0.68 0.50 -1.83 0.23 0.00 0.00 176.35 174.53 2k6y s GLU 68 N -3.93 1.30 -0.05 1.70 -1.05 -1.26 -0.69 118.70 114.72 2k6y s GLU 68 Ca 0.32 -0.79 -0.02 0.00 -0.15 0.00 0.00 54.97 54.32 2k6y s GLU 68 Cb 0.04 0.51 0.03 0.00 -0.44 0.00 0.00 34.13 34.27 2k6y s GLU 68 CO 0.18 -0.54 0.11 0.08 0.95 0.00 0.00 175.26 176.03 2k6y s VAL 69 N -3.85 -0.05 0.84 1.83 1.01 0.43 -4.97 120.40 115.64 2k6y s VAL 69 Ca 0.07 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 2k6y s VAL 69 Cb -0.00 -0.18 0.10 0.00 0.00 0.00 0.00 36.38 36.29 2k6y s VAL 69 CO -0.06 0.07 1.10 -2.16 0.00 0.00 0.00 175.10 174.05 2k6y s PRO 70 N 1.07 1.72 0.39 2.72 0.04 -1.26 -1.46 135.00 138.21 2k6y s PRO 70 Ca -0.08 1.12 -0.27 0.00 0.04 0.00 0.00 61.00 61.80 2k6y s PRO 70 Cb -0.11 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 2k6y s PRO 70 CO -0.05 -2.01 1.45 -1.25 0.04 0.00 0.00 177.00 175.18 2k6y s PRO 71 N -4.86 4.01 0.00 0.56 0.04 -1.26 -2.08 135.00 131.40 2k6y s PRO 71 Ca 0.63 2.49 0.00 0.00 0.04 0.00 0.00 61.00 64.15 2k6y s PRO 71 Cb -0.18 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2k6y s PRO 71 CO 0.57 -0.58 0.00 1.63 0.04 0.00 0.00 177.00 178.66 2k6y n LYS 72 N 0.29 0.00 -2.82 4.56 4.76 -0.16 -4.97 118.16 119.82 2k6y n LYS 72 Ca 0.02 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.05 2k6y n LYS 72 Cb 0.40 -3.47 -0.05 0.00 -1.84 0.00 0.00 35.03 30.07 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 2.93 0.04 0.72 0.00 -0.89 -4.85 107.32 103.27 2k6y s GLY 73 Ca 0.00 0.47 0.04 0.00 0.00 0.00 0.00 44.72 45.23 2k6y s GLY 73 CO 0.00 1.31 -0.04 1.09 0.00 0.00 0.00 173.10 175.47 2k6y s ARG 74 N -0.07 2.55 0.30 2.90 1.70 -1.26 -0.91 118.95 124.15 2k6y s ARG 74 Ca 0.44 -0.77 0.02 0.00 -0.47 0.00 0.00 55.73 54.95 2k6y s ARG 74 Cb -0.22 -2.52 -0.05 0.00 -0.57 0.00 0.00 34.95 31.58 2k6y s ARG 74 CO 0.27 0.58 0.11 0.14 -1.08 0.00 0.00 175.30 175.32 2k6y s VAL 75 N -1.13 0.63 -0.08 4.99 -7.23 0.43 -4.99 120.40 113.02 2k6y s VAL 75 Ca 0.21 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.35 2k6y s VAL 75 Cb -0.11 -2.61 0.04 0.00 0.56 0.00 0.00 36.38 34.25 2k6y s VAL 75 CO 0.12 0.00 0.05 -0.70 -0.31 0.00 0.00 175.10 174.26 2k6y s GLU 76 N -3.93 0.09 -0.95 4.82 2.12 -1.26 -1.38 118.70 118.21 2k6y s GLU 76 Ca 0.36 0.21 -0.20 0.00 0.36 0.00 0.00 54.97 55.70 2k6y s GLU 76 Cb 0.07 -0.91 -0.11 0.00 0.26 0.00 0.00 34.13 33.45 2k6y s GLU 76 CO 0.15 -0.40 1.99 1.28 -0.54 0.00 0.00 175.26 177.73 2k6y n LEU 77 N 5.26 4.66 -4.78 2.70 4.32 -0.40 -4.89 117.00 123.88 2k6y n LEU 77 Ca -0.05 -3.20 -0.41 0.00 -0.02 0.00 0.00 56.01 52.33 2k6y n LEU 77 Cb 0.50 -1.28 -0.00 0.00 -1.62 0.00 0.00 43.42 41.02 2k6y n LEU 77 CO 0.08 -0.11 1.10 -1.59 -1.22 0.00 0.00 177.39 175.65 2k6y s LYS 78 N 4.67 4.07 0.39 3.23 -2.85 -1.24 -4.54 119.74 123.48 2k6y s LYS 78 Ca 0.56 2.49 0.08 0.00 -1.00 0.00 0.00 55.97 58.10 2k6y s LYS 78 Cb 0.13 -2.93 0.81 0.00 -2.06 0.00 0.00 37.83 33.78 2k6y s LYS 78 CO 0.07 -0.53 1.99 -1.00 0.10 0.00 0.00 175.35 175.98 2k6y h PRO 79 N 2.94 0.43 -2.28 1.78 0.13 -1.94 -0.30 132.00 132.76 2k6y h PRO 79 Ca -0.51 -0.06 -0.46 0.00 -0.87 0.00 0.00 66.00 64.11 2k6y h PRO 79 Cb 1.24 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 2k6y h PRO 79 CO 0.64 0.38 1.06 0.41 -0.23 0.00 0.00 178.00 180.26 2k6y n GLY 80 N -1.19 4.00 0.52 1.56 0.00 -1.26 -4.43 105.19 104.39 2k6y n GLY 80 Ca 0.01 -1.61 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 2.06 -1.77 3.42 -0.02 0.00 -0.66 -4.94 105.19 103.28 2k6y n GLY 81 Ca 0.54 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 47.04 2k6y n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6y s TYR 82 N -1.57 -0.62 0.26 1.61 2.02 -0.21 -0.30 117.35 118.53 2k6y s TYR 82 Ca 0.00 1.45 -0.21 0.00 -0.37 0.00 0.00 57.07 57.94 2k6y s TYR 82 Cb 0.00 0.24 0.04 0.00 -0.40 0.00 0.00 41.96 41.84 2k6y s TYR 82 CO 0.00 -0.31 0.81 -3.38 -1.57 0.00 0.00 175.55 171.11 2k6y s HIS 83 N 0.55 -0.10 -0.16 2.71 -3.43 -0.28 -3.62 115.29 110.95 2k6y s HIS 83 Ca -0.02 -0.36 -0.06 0.00 -0.80 0.00 0.00 55.06 53.82 2k6y s HIS 83 Cb -0.04 0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 31.79 2k6y s HIS 83 CO -0.03 -1.18 0.04 -0.06 -2.00 0.00 0.00 174.74 171.51 2k6y s PHE 84 N -3.35 3.21 0.15 0.38 0.08 -0.36 -0.68 117.98 117.41 2k6y s PHE 84 Ca 0.13 0.03 -0.17 0.00 0.12 0.00 0.00 56.93 57.05 2k6y s PHE 84 Cb -0.04 -2.01 -0.07 0.00 -0.57 0.00 0.00 43.02 40.33 2k6y s PHE 84 CO 0.07 0.19 0.60 -1.64 -0.10 0.00 0.00 175.22 174.33 2k6y s MET 85 N 0.12 4.09 -0.13 0.44 -1.94 0.16 -1.79 119.30 120.25 2k6y s MET 85 Ca 0.03 0.63 0.02 0.00 -1.71 0.00 0.00 55.69 54.67 2k6y s MET 85 Cb -0.13 -2.97 0.01 0.00 2.01 0.00 0.00 34.83 33.75 2k6y s MET 85 CO 0.01 0.49 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.80 2k6y s LEU 86 N -1.81 1.98 -0.06 -0.03 2.01 -0.13 -0.68 118.68 119.97 2k6y s LEU 86 Ca 0.37 -0.54 0.04 0.00 0.01 0.00 0.00 54.13 54.02 2k6y s LEU 86 Cb -0.16 -1.32 -0.00 0.00 0.01 0.00 0.00 46.19 44.72 2k6y s LEU 86 CO 0.20 0.06 -0.18 -0.76 1.01 0.00 0.00 176.35 176.68 2k6y s LEU 87 N 0.83 1.92 -0.10 1.79 1.43 0.27 -0.76 118.68 124.06 2k6y s LEU 87 Ca -0.08 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2k6y s LEU 87 Cb -0.15 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.01 2k6y s LEU 87 CO -0.01 0.15 0.13 0.61 0.23 0.00 0.00 176.35 177.46 2k6y n GLY 88 N 3.26 -0.77 3.57 -3.19 0.00 -0.16 -0.79 105.19 107.10 2k6y n GLY 88 Ca -0.19 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2k6y n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k6y s LEU 89 N -1.53 3.37 0.00 0.99 1.43 -1.09 -0.55 118.68 121.32 2k6y s LEU 89 Ca 0.05 0.42 0.21 0.00 -1.03 0.00 0.00 54.13 53.77 2k6y s LEU 89 Cb -0.01 -2.95 1.18 0.00 0.03 0.00 0.00 46.19 44.44 2k6y s LEU 89 CO 0.17 -1.91 1.63 2.29 0.23 0.00 0.00 176.35 178.75 2k6y n LYS 90 N 8.81 0.56 -5.10 1.70 2.85 -1.21 -4.58 118.16 121.19 2k6y n LYS 90 Ca 0.16 0.03 -0.28 0.00 -1.05 0.00 0.00 58.31 57.16 2k6y n LYS 90 Cb 0.50 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 33.22 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 -2.15 1.82 0.32 -1.58 0.52 -1.26 -4.95 118.95 111.67 2k6y s ARG 91 Ca 0.28 -0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 54.38 2k6y s ARG 91 Cb 0.14 -1.77 -0.10 0.00 0.52 0.00 0.00 34.95 33.74 2k6y s ARG 91 CO 0.26 0.48 1.23 -1.25 0.02 0.00 0.00 175.30 176.04 2k6y s PRO 92 N -0.57 4.41 0.21 3.54 0.04 -1.26 -4.92 135.00 136.45 2k6y s PRO 92 Ca 0.09 2.06 0.11 0.00 0.04 0.00 0.00 61.00 63.30 2k6y s PRO 92 Cb -0.09 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 2k6y s PRO 92 CO -0.01 -0.08 -0.23 -0.51 0.04 0.00 0.00 177.00 176.22 2k6y s LEU 93 N -1.75 2.47 0.00 -3.56 1.43 -1.26 -5.05 118.68 110.96 2k6y s LEU 93 Ca 0.48 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2k6y s LEU 93 Cb -0.37 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.73 2k6y s LEU 93 CO 0.48 0.09 0.30 2.29 0.23 0.00 0.00 176.35 179.73 2k6y n LYS 94 N 0.07 -0.21 -1.41 1.70 -0.00 -1.26 -4.89 118.16 112.16 2k6y n LYS 94 Ca -0.11 -0.33 0.19 0.00 -0.00 0.00 0.00 58.31 58.06 2k6y n LYS 94 Cb 0.57 -0.73 -0.05 0.00 -0.00 0.00 0.00 35.03 34.82 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 -0.03 -3.72 -3.30 0.58 0.00 -1.26 -4.98 120.51 107.80 2k6y n ALA 95 Ca 0.00 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.76 2k6y n ALA 95 Cb 0.17 -1.30 0.08 0.00 0.00 0.00 0.00 19.45 18.40 2k6y n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6y n GLY 96 N -4.15 -0.85 3.52 0.00 0.00 -1.25 -5.02 105.19 97.45 2k6y n GLY 96 Ca 0.00 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.74 0.81 0.08 1.61 -1.05 -1.26 -5.05 118.70 109.09 2k6y s GLU 97 Ca 0.28 -0.17 0.06 0.00 -0.15 0.00 0.00 54.97 54.99 2k6y s GLU 97 Cb -0.04 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 2k6y s GLU 97 CO 0.73 -0.33 -0.09 -1.21 0.95 0.00 0.00 175.26 175.31 2k6y s GLU 98 N -2.58 2.24 -0.17 -4.83 8.01 -1.26 -0.58 118.70 119.54 2k6y s GLU 98 Ca 0.02 -0.95 0.00 0.00 0.01 0.00 0.00 54.97 54.06 2k6y s GLU 98 Cb -0.01 -2.35 0.03 0.00 -4.31 0.00 0.00 34.13 27.49 2k6y s GLU 98 CO -0.06 0.53 -0.11 0.08 0.01 0.00 0.00 175.26 175.71 2k6y s VAL 99 N -1.16 1.49 -0.01 2.63 1.01 0.64 -4.94 120.40 120.07 2k6y s VAL 99 Ca 0.20 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 2k6y s VAL 99 Cb -0.11 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 2k6y s VAL 99 CO 0.12 0.31 0.69 -0.70 0.00 0.00 0.00 175.10 175.51 2k6y s GLU 100 N 1.49 4.42 0.00 2.72 2.12 -1.26 -0.69 118.70 127.50 2k6y s GLU 100 Ca 0.02 0.89 0.01 0.00 0.36 0.00 0.00 54.97 56.25 2k6y s GLU 100 Cb -0.14 -3.38 -0.00 0.00 0.26 0.00 0.00 34.13 30.86 2k6y s GLU 100 CO -0.09 0.24 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.68 2k6y s LEU 101 N 0.16 2.04 -0.19 2.70 0.20 0.00 -4.22 118.68 119.38 2k6y s LEU 101 Ca 0.36 -0.11 -0.23 0.00 0.69 0.00 0.00 54.13 54.84 2k6y s LEU 101 Cb -0.19 -0.07 -0.02 0.00 -0.43 0.00 0.00 46.19 45.48 2k6y s LEU 101 CO 0.19 -0.03 0.72 -1.81 -0.29 0.00 0.00 176.35 175.14 2k6y s ASP 102 N -0.29 6.79 -0.24 3.68 1.01 0.22 -0.28 116.67 127.57 2k6y s ASP 102 Ca -0.02 0.97 -0.24 0.00 0.71 0.00 0.00 52.55 53.97 2k6y s ASP 102 Cb -0.02 -2.39 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 2k6y s ASP 102 CO -0.00 -0.34 0.79 -0.76 0.21 0.00 0.00 175.17 175.07 2k6y s LEU 103 N 2.10 4.09 -0.21 1.23 1.43 -0.05 -1.10 118.68 126.17 2k6y s LEU 103 Ca 0.33 0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 54.27 2k6y s LEU 103 Cb -0.16 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2k6y s LEU 103 CO 0.11 -0.48 0.34 -0.76 0.23 0.00 0.00 176.35 175.78 2k6y s LEU 104 N 2.72 4.15 -0.20 1.79 1.43 -0.26 -1.59 118.68 126.73 2k6y s LEU 104 Ca 0.34 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 2k6y s LEU 104 Cb -0.15 -2.41 0.04 0.00 0.03 0.00 0.00 46.19 43.70 2k6y s LEU 104 CO 0.08 -0.03 -0.09 -0.36 0.23 0.00 0.00 176.35 176.18 2k6y s PHE 105 N 1.18 2.26 -0.41 0.29 0.40 -0.43 -0.22 117.98 121.06 2k6y s PHE 105 Ca 0.16 -1.50 0.00 0.00 -0.60 0.00 0.00 56.93 54.99 2k6y s PHE 105 Cb -0.14 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.83 2k6y s PHE 105 CO 0.07 -0.72 0.00 0.00 0.70 0.00 0.00 175.22 175.27 2k6y n ALA 106 N 4.72 -0.55 0.00 5.36 0.00 -1.16 -1.60 120.51 127.28 2k6y n ALA 106 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k6y n ALA 106 Cb 0.46 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.38 0.75 0.05 0.00 0.00 -1.26 -4.71 105.19 99.65 2k6y n GLY 107 Ca -0.05 0.00 0.16 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 -0.90 3.22 -0.02 0.00 -1.08 -4.80 105.19 101.60 2k6y n GLY 108 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 2k6y n GLY 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k6y s LYS 109 N -2.00 0.76 -0.16 1.61 2.47 -0.62 -5.08 119.74 116.72 2k6y s LYS 109 Ca 0.47 -0.60 -0.16 0.00 -1.56 0.00 0.00 55.97 54.12 2k6y s LYS 109 Cb 0.22 0.32 0.04 0.00 -1.46 0.00 0.00 37.83 36.95 2k6y s LYS 109 CO 0.36 -0.23 0.45 0.54 0.16 0.00 0.00 175.35 176.63 2k6y s VAL 110 N -2.66 0.00 -0.15 4.02 0.11 -1.26 -1.32 120.40 119.14 2k6y s VAL 110 Ca -0.04 -0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 2k6y s VAL 110 Cb -0.01 -0.65 0.05 0.00 -1.53 0.00 0.00 36.38 34.25 2k6y s VAL 110 CO -0.04 -0.02 0.05 -0.76 -3.33 0.00 0.00 175.10 171.00 2k6y s LEU 111 N 0.09 0.73 0.11 2.54 1.43 -0.62 -4.97 118.68 117.99 2k6y s LEU 111 Ca -0.01 -0.56 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 2k6y s LEU 111 Cb -0.03 -0.42 -0.07 0.00 0.03 0.00 0.00 46.19 45.70 2k6y s LEU 111 CO 0.01 -0.30 0.79 -1.59 0.23 0.00 0.00 176.35 175.49 2k6y s LYS 112 N 1.99 4.56 0.04 1.70 -2.85 -1.26 -0.87 119.74 123.05 2k6y s LYS 112 Ca 0.01 1.15 0.01 0.00 -1.00 0.00 0.00 55.97 56.14 2k6y s LYS 112 Cb -0.16 -3.31 -0.03 0.00 -2.06 0.00 0.00 37.83 32.27 2k6y s LYS 112 CO -0.07 0.43 -0.05 0.14 0.10 0.00 0.00 175.35 175.89 2k6y s VAL 113 N -0.62 0.34 0.14 1.79 -7.23 0.61 -4.95 120.40 110.49 2k6y s VAL 113 Ca 0.38 -1.29 -0.05 0.00 -1.81 0.00 0.00 61.98 59.21 2k6y s VAL 113 Cb -0.22 -0.82 -0.06 0.00 0.56 0.00 0.00 36.38 35.85 2k6y s VAL 113 CO 0.25 -0.62 0.39 0.68 -0.31 0.00 0.00 175.10 175.49 2k6y s VAL 114 N -2.24 5.15 -0.08 1.32 -7.23 -1.26 -0.82 120.40 115.25 2k6y s VAL 114 Ca -0.06 0.08 -0.09 0.00 -1.81 0.00 0.00 61.98 60.10 2k6y s VAL 114 Cb -0.04 -3.62 0.02 0.00 0.56 0.00 0.00 36.38 33.30 2k6y s VAL 114 CO -0.03 0.05 0.25 -0.76 -0.31 0.00 0.00 175.10 174.30 2k6y s LEU 115 N -2.62 1.05 0.60 1.32 1.02 0.14 -4.58 118.68 115.61 2k6y s LEU 115 Ca 0.41 0.41 -0.14 0.00 0.02 0.00 0.00 54.13 54.83 2k6y s LEU 115 Cb -0.12 0.90 -0.04 0.00 0.02 0.00 0.00 46.19 46.95 2k6y s LEU 115 CO 0.24 -0.15 1.03 -2.16 0.02 0.00 0.00 176.35 175.34 2k6y s PRO 116 N -0.13 3.47 -0.48 1.29 0.04 -1.26 -0.26 135.00 137.66 2k6y s PRO 116 Ca -0.03 1.00 -0.26 0.00 0.04 0.00 0.00 61.00 61.75 2k6y s PRO 116 Cb -0.03 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2k6y s PRO 116 CO 0.01 -0.68 0.98 0.08 0.04 0.00 0.00 177.00 177.43 2k6y s VAL 117 N -2.76 4.39 0.37 -0.36 1.01 0.26 -1.46 120.40 121.85 2k6y s VAL 117 Ca 0.59 0.77 -0.24 0.00 0.00 0.00 0.00 61.98 63.10 2k6y s VAL 117 Cb -0.13 -4.49 -0.10 0.00 0.00 0.00 0.00 36.38 31.66 2k6y s VAL 117 CO 0.42 -0.93 0.97 -1.61 0.00 0.00 0.00 175.10 173.95 2k6y s GLU 118 N 3.96 4.38 -0.56 2.72 0.41 0.48 -3.81 118.70 126.28 2k6y s GLU 118 Ca 0.38 1.30 -0.04 0.00 -0.41 0.00 0.00 54.97 56.20 2k6y s GLU 118 Cb -0.10 -2.55 0.15 0.00 -1.78 0.00 0.00 34.13 29.85 2k6y s GLU 118 CO 0.26 0.09 0.39 0.00 -0.49 0.00 0.00 175.26 175.51 2k6y s ALA 119 N -1.80 3.48 0.00 5.21 0.00 -1.26 -3.55 121.76 123.83 2k6y s ALA 119 Ca 0.56 -2.99 0.00 0.00 0.00 0.00 0.00 51.96 49.52 2k6y s ALA 119 Cb -0.16 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2k6y s ALA 119 CO 0.21 -2.01 0.00 -2.13 0.00 0.00 0.00 175.76 171.83