#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 2.99 -2.33 1.61 7.64 -1.26 -5.15 113.62 117.13 2k6y n SER 2 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2k6y n SER 2 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2k6y n SER 2 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k6y n PHE 3 N 0.00 -3.67 -2.56 1.43 3.01 -1.26 -4.99 117.46 109.41 2k6y n PHE 3 Ca 0.00 -0.11 -0.41 0.00 1.01 0.00 0.00 57.45 57.94 2k6y n PHE 3 Cb 0.00 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.34 2k6y n PHE 3 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2k6y s THR 4 N -1.24 3.77 -1.16 4.37 -4.23 -1.26 -4.96 115.64 110.92 2k6y s THR 4 Ca 0.07 0.20 -0.21 0.00 -1.18 0.00 0.00 61.69 60.57 2k6y s THR 4 Cb -0.00 -4.94 0.05 0.00 1.34 0.00 0.00 72.50 68.95 2k6y s THR 4 CO 0.05 -1.86 1.63 -1.61 -0.54 0.00 0.00 174.62 172.29 2k6y s GLU 5 N 5.57 3.72 0.00 3.99 0.41 -1.26 -4.84 118.70 126.29 2k6y s GLU 5 Ca 0.36 -1.54 -0.16 0.00 -0.41 0.00 0.00 54.97 53.22 2k6y s GLU 5 Cb -0.07 -5.44 0.05 0.00 -1.78 0.00 0.00 34.13 26.90 2k6y s GLU 5 CO 0.11 -2.34 0.74 0.41 -0.49 0.00 0.00 175.26 173.70 2k6y n GLY 6 N 6.10 0.46 3.45 -1.39 0.00 -1.26 -0.54 105.19 112.00 2k6y n GLY 6 Ca 0.42 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.63 -0.56 -0.12 1.61 -2.14 -0.21 -4.27 118.94 110.62 2k6y s TRP 7 Ca 0.17 0.59 0.00 0.00 2.66 0.00 0.00 56.10 59.52 2k6y s TRP 7 Cb -0.01 0.49 -0.02 0.00 -3.10 0.00 0.00 33.47 30.84 2k6y s TRP 7 CO 0.00 -0.76 -0.13 0.08 -2.66 0.00 0.00 176.95 173.49 2k6y s VAL 8 N -2.84 3.08 -0.27 -0.66 1.01 -0.30 -1.81 120.40 118.61 2k6y s VAL 8 Ca -0.03 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 2k6y s VAL 8 Cb -0.01 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2k6y s VAL 8 CO -0.05 0.53 1.50 -0.60 0.00 0.00 0.00 175.10 176.48 2k6y s ARG 9 N 0.23 3.79 -0.12 2.72 3.52 -0.41 -1.22 118.95 127.46 2k6y s ARG 9 Ca -0.08 1.43 -0.19 0.00 -0.13 0.00 0.00 55.73 56.76 2k6y s ARG 9 Cb -0.15 -3.99 -0.04 0.00 -1.56 0.00 0.00 34.95 29.21 2k6y s ARG 9 CO 0.05 -1.30 0.51 0.12 -0.81 0.00 0.00 175.30 173.88 2k6y s PHE 10 N 5.04 3.50 0.12 5.12 5.36 0.45 -3.91 117.98 133.66 2k6y s PHE 10 Ca 0.66 0.92 -0.05 0.00 -0.96 0.00 0.00 56.93 57.50 2k6y s PHE 10 Cb -0.21 -2.60 -0.02 0.00 -0.34 0.00 0.00 43.02 39.84 2k6y s PHE 10 CO 0.28 0.12 0.13 -1.12 -1.46 0.00 0.00 175.22 173.16 2k6y s SER 11 N 0.73 0.24 0.00 6.13 0.01 -1.26 -1.93 113.70 117.61 2k6y s SER 11 Ca 0.27 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2k6y s SER 11 Cb -0.15 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2k6y s SER 11 CO 0.11 -0.75 0.43 -0.81 0.41 0.00 0.00 173.24 172.64 2k6y n PRO 12 N -0.08 0.71 0.00 12.44 -0.04 -1.26 -4.87 135.00 141.89 2k6y n PRO 12 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2k6y n PRO 12 Cb 0.63 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.16 -0.83 0.00 0.55 0.00 -1.26 -4.95 105.19 98.86 2k6y n GLY 13 Ca 0.00 -1.69 0.15 0.00 0.00 0.00 0.00 46.02 44.48 2k6y n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k6y n PRO 14 N -0.91 0.67 -4.17 1.61 -0.04 -1.26 -4.98 135.00 125.92 2k6y n PRO 14 Ca 0.00 0.01 -0.11 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 -2.30 0.14 0.00 3.54 2.20 -1.26 -2.86 114.94 114.40 2k6y s ASN 15 Ca 0.36 -1.32 0.00 0.00 -0.94 0.00 0.00 52.86 50.96 2k6y s ASN 15 Cb 0.20 0.39 0.00 0.00 -2.00 0.00 0.00 41.25 39.84 2k6y s ASN 15 CO 0.40 -0.86 0.00 0.00 -2.94 0.00 0.00 177.10 173.71 2k6y n ALA 16 N -0.26 0.00 -3.57 3.54 0.00 0.17 -4.72 120.51 115.68 2k6y n ALA 16 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2k6y n ALA 16 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 2k6y n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k6y s ALA 17 N -1.00 -0.74 -0.01 0.00 0.00 -1.25 -1.04 121.76 117.71 2k6y s ALA 17 Ca 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 2k6y s ALA 17 Cb 0.00 0.93 0.04 0.00 0.00 0.00 0.00 23.12 24.09 2k6y s ALA 17 CO 0.00 -0.96 0.46 0.00 0.00 0.00 0.00 175.76 175.26 2k6y s ALA 18 N -3.78 -1.17 -0.01 0.00 0.00 0.11 -1.28 121.76 115.62 2k6y s ALA 18 Ca 0.16 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.75 2k6y s ALA 18 Cb -0.04 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2k6y s ALA 18 CO 0.09 -0.34 0.08 0.71 0.00 0.00 0.00 175.76 176.30 2k6y s TYR 19 N -1.53 0.03 -0.05 0.00 2.02 -0.75 -1.39 117.35 115.68 2k6y s TYR 19 Ca -0.11 -0.05 -0.30 0.00 -0.37 0.00 0.00 57.07 56.24 2k6y s TYR 19 Cb -0.03 -0.04 0.11 0.00 -0.40 0.00 0.00 41.96 41.60 2k6y s TYR 19 CO 0.05 -0.16 0.99 -0.48 -1.57 0.00 0.00 175.55 174.38 2k6y s LEU 20 N -0.78 -0.28 0.28 -1.29 2.34 -1.25 -1.04 118.68 116.66 2k6y s LEU 20 Ca -0.09 -0.03 -0.28 0.00 0.06 0.00 0.00 54.13 53.79 2k6y s LEU 20 Cb -0.05 1.84 -0.09 0.00 -0.56 0.00 0.00 46.19 47.32 2k6y s LEU 20 CO 0.00 -0.52 0.99 -0.89 -1.06 0.00 0.00 176.35 174.87 2k6y s THR 21 N -2.92 3.93 -0.03 5.48 2.01 0.30 -0.49 115.64 123.92 2k6y s THR 21 Ca 0.07 1.82 0.04 0.00 0.31 0.00 0.00 61.69 63.93 2k6y s THR 21 Cb -0.01 -4.11 -0.00 0.00 0.01 0.00 0.00 72.50 68.39 2k6y s THR 21 CO -0.07 0.34 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.84 2k6y s LEU 22 N -1.57 1.91 0.06 4.42 1.98 -0.55 -4.73 118.68 120.21 2k6y s LEU 22 Ca 0.45 -0.29 0.05 0.00 -2.89 0.00 0.00 54.13 51.45 2k6y s LEU 22 Cb -0.25 -0.81 -0.03 0.00 0.66 0.00 0.00 46.19 45.76 2k6y s LEU 22 CO 0.32 0.14 -0.14 -1.83 -1.89 0.00 0.00 176.35 172.95 2k6y s GLU 23 N -0.03 0.83 -0.66 1.98 -1.05 -1.26 -0.42 118.70 118.09 2k6y s GLU 23 Ca -0.01 -0.90 0.06 0.00 -0.15 0.00 0.00 54.97 53.97 2k6y s GLU 23 Cb -0.09 -0.84 0.24 0.00 -0.44 0.00 0.00 34.13 33.00 2k6y s GLU 23 CO 0.01 0.19 0.75 -1.71 0.95 0.00 0.00 175.26 175.45 2k6y n ASN 24 N 1.43 3.80 0.14 0.83 5.15 -0.75 -4.96 115.26 120.91 2k6y n ASN 24 Ca -0.20 -3.43 0.12 0.00 -0.60 0.00 0.00 54.58 50.46 2k6y n ASN 24 Cb 0.54 -0.70 0.52 0.00 -0.53 0.00 0.00 39.78 39.61 2k6y n ASN 24 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2k6y n PRO 25 N 0.96 0.18 -1.27 1.20 -0.04 -1.26 -0.17 135.00 134.59 2k6y n PRO 25 Ca 0.29 0.49 -0.31 0.00 -0.04 0.00 0.00 63.50 63.93 2k6y n PRO 25 Cb 0.40 -1.89 0.10 0.00 -0.04 0.00 0.00 33.50 32.07 2k6y n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k6y s GLY 26 N -3.54 1.66 0.00 0.55 0.00 -1.26 -4.74 107.32 99.98 2k6y s GLY 26 Ca 0.02 0.16 0.27 0.00 0.00 0.00 0.00 44.72 45.18 2k6y s GLY 26 CO 0.33 0.54 1.62 1.22 0.00 0.00 0.00 173.10 176.81 2k6y n ASP 27 N -3.58 1.41 -4.53 1.64 9.92 -1.26 -3.29 116.55 116.86 2k6y n ASP 27 Ca 0.08 -1.28 -0.24 0.00 -0.53 0.00 0.00 54.79 52.83 2k6y n ASP 27 Cb 0.54 0.07 -0.09 0.00 -0.64 0.00 0.00 41.12 41.00 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 -2.22 2.79 0.58 0.64 0.05 -1.26 -4.80 118.68 114.45 2k6y s LEU 28 Ca 0.31 -0.91 -0.14 0.00 0.05 0.00 0.00 54.13 53.45 2k6y s LEU 28 Cb 0.20 -1.30 -0.05 0.00 -2.05 0.00 0.00 46.19 42.99 2k6y s LEU 28 CO 0.42 0.02 1.01 -2.16 -0.55 0.00 0.00 176.35 175.10 2k6y s PRO 29 N -3.56 3.70 -0.10 1.48 0.04 -1.26 -4.17 135.00 131.12 2k6y s PRO 29 Ca 0.30 0.87 0.03 0.00 0.04 0.00 0.00 61.00 62.24 2k6y s PRO 29 Cb -0.05 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2k6y s PRO 29 CO 0.17 -0.48 -0.18 -0.51 0.04 0.00 0.00 177.00 176.03 2k6y s LEU 30 N -4.70 1.85 -0.36 -3.56 1.02 -0.21 -4.95 118.68 107.77 2k6y s LEU 30 Ca 0.57 -0.45 -0.03 0.00 0.02 0.00 0.00 54.13 54.24 2k6y s LEU 30 Cb -0.11 -1.15 0.08 0.00 0.02 0.00 0.00 46.19 45.02 2k6y s LEU 30 CO 0.44 0.07 0.11 -0.60 0.02 0.00 0.00 176.35 176.39 2k6y s ARG 31 N 0.69 2.23 -0.34 1.70 3.52 -1.26 -0.37 118.95 125.12 2k6y s ARG 31 Ca -0.12 -1.53 -0.21 0.00 -0.13 0.00 0.00 55.73 53.73 2k6y s ARG 31 Cb -0.16 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 2k6y s ARG 31 CO 0.03 -0.85 0.68 -1.17 -0.81 0.00 0.00 175.30 173.17 2k6y s LEU 32 N 1.21 4.18 0.00 -0.88 2.96 0.27 -1.03 118.68 125.39 2k6y s LEU 32 Ca 0.02 0.32 0.10 0.00 -0.22 0.00 0.00 54.13 54.35 2k6y s LEU 32 Cb -0.21 -2.87 -0.08 0.00 0.50 0.00 0.00 46.19 43.53 2k6y s LEU 32 CO -0.02 -0.59 0.50 1.33 -1.32 0.00 0.00 176.35 176.25 2k6y n VAL 33 N 5.56 0.00 -3.39 1.68 0.24 0.68 -0.61 118.33 122.49 2k6y n VAL 33 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2k6y n VAL 33 Cb 0.49 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 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 1.16 -0.53 3.48 7.63 0.00 -1.19 -4.72 105.19 111.02 2k6y n GLY 34 Ca 0.03 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 0.83 -0.08 4.61 0.00 -1.26 -1.07 121.76 123.79 2k6y s ALA 35 Ca 0.00 -1.55 -0.18 0.00 0.00 0.00 0.00 51.96 50.23 2k6y s ALA 35 Cb 0.00 1.17 0.04 0.00 0.00 0.00 0.00 23.12 24.33 2k6y s ALA 35 CO 0.00 -0.79 0.43 1.03 0.00 0.00 0.00 175.76 176.44 2k6y s ARG 36 N -3.04 0.68 0.07 0.00 1.81 -0.68 -4.83 118.95 112.96 2k6y s ARG 36 Ca 0.31 0.22 -0.21 0.00 -1.72 0.00 0.00 55.73 54.33 2k6y s ARG 36 Cb -0.00 0.32 0.05 0.00 -0.45 0.00 0.00 34.95 34.86 2k6y s ARG 36 CO 0.21 -0.16 0.49 -0.08 -0.68 0.00 0.00 175.30 175.08 2k6y s THR 37 N -0.67 0.04 0.46 0.02 -1.32 -1.26 -0.84 115.64 112.07 2k6y s THR 37 Ca -0.08 -0.31 0.23 0.00 -1.21 0.00 0.00 61.69 60.32 2k6y s THR 37 Cb -0.03 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.21 2k6y s THR 37 CO 0.04 -0.17 2.08 1.55 -2.21 0.00 0.00 174.62 175.91 2k6y h PRO 38 N 2.68 0.00 -0.51 7.08 0.13 -2.00 -3.30 132.00 136.08 2k6y h PRO 38 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2k6y h PRO 38 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k6y h PRO 38 CO 0.42 0.12 0.00 1.33 -0.23 0.00 0.00 178.00 179.64 2k6y n VAL 39 N -3.96 0.80 -3.61 1.56 0.24 -1.26 -3.42 118.33 108.69 2k6y n VAL 39 Ca -0.02 -0.66 -0.16 0.00 -2.04 0.00 0.00 64.34 61.46 2k6y n VAL 39 Cb 0.21 0.21 -0.07 0.00 -1.47 0.00 0.00 33.84 32.71 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 -1.49 -1.36 0.00 2.33 0.00 -1.24 -4.60 121.76 115.39 2k6y s ALA 40 Ca 0.32 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2k6y s ALA 40 Cb 0.18 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.40 2k6y s ALA 40 CO 0.19 -0.36 0.00 -1.91 0.00 0.00 0.00 175.76 173.68 2k6y n GLU 41 N 0.92 0.00 -2.32 0.00 4.07 -0.74 -4.20 120.64 118.37 2k6y n GLU 41 Ca -0.20 0.01 -0.42 0.00 -0.06 0.00 0.00 57.16 56.49 2k6y n GLU 41 Cb 0.57 -0.16 -0.02 0.00 -0.06 0.00 0.00 31.44 31.77 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 -0.18 3.38 -0.12 5.31 3.52 -0.76 -4.94 118.95 125.16 2k6y s ARG 42 Ca 0.00 0.76 0.03 0.00 -0.13 0.00 0.00 55.73 56.39 2k6y s ARG 42 Cb 0.00 -4.10 -0.00 0.00 -1.56 0.00 0.00 34.95 29.28 2k6y s ARG 42 CO 0.00 -1.81 -0.20 0.54 -0.81 0.00 0.00 175.30 173.01 2k6y s VAL 43 N 6.04 2.36 -0.06 7.11 0.11 -1.26 -0.37 120.40 134.33 2k6y s VAL 43 Ca 0.60 -0.91 -0.02 0.00 -2.93 0.00 0.00 61.98 58.72 2k6y s VAL 43 Cb -0.13 -1.94 0.04 0.00 -1.53 0.00 0.00 36.38 32.82 2k6y s VAL 43 CO 0.29 0.55 0.11 -1.61 -3.33 0.00 0.00 175.10 171.11 2k6y s GLU 44 N 0.42 0.04 -0.19 1.54 2.02 -0.57 -4.58 118.70 117.38 2k6y s GLU 44 Ca -0.15 0.36 -0.29 0.00 0.02 0.00 0.00 54.97 54.91 2k6y s GLU 44 Cb -0.17 -0.23 0.00 0.00 0.10 0.00 0.00 34.13 33.83 2k6y s GLU 44 CO 0.07 -0.20 1.07 -1.17 0.02 0.00 0.00 175.26 175.05 2k6y s LEU 45 N 1.39 4.14 0.14 1.80 0.20 -1.26 -0.37 118.68 124.73 2k6y s LEU 45 Ca -0.06 1.46 0.05 0.00 0.69 0.00 0.00 54.13 56.27 2k6y s LEU 45 Cb -0.12 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.06 2k6y s LEU 45 CO -0.05 -0.64 0.07 -1.00 -0.29 0.00 0.00 176.35 174.44 2k6y s HIS 46 N 2.99 3.05 0.45 5.38 3.76 0.41 -0.69 115.29 130.65 2k6y s HIS 46 Ca 0.47 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 2k6y s HIS 46 Cb -0.17 -1.50 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 2k6y s HIS 46 CO 0.10 0.51 0.67 -1.83 -0.85 0.00 0.00 174.74 173.35 2k6y s GLU 47 N -2.85 3.09 -0.26 1.40 -1.05 -0.03 -1.33 118.70 117.67 2k6y s GLU 47 Ca 0.29 -0.46 -0.00 0.00 -0.15 0.00 0.00 54.97 54.65 2k6y s GLU 47 Cb -0.10 -2.55 0.08 0.00 -0.44 0.00 0.00 34.13 31.11 2k6y s GLU 47 CO 0.21 -0.26 0.03 0.99 0.95 0.00 0.00 175.26 177.18 2k6y s THR 48 N -2.56 1.10 0.22 1.83 2.01 0.07 -2.74 115.64 115.57 2k6y s THR 48 Ca 0.48 -1.19 0.06 0.00 0.31 0.00 0.00 61.69 61.36 2k6y s THR 48 Cb -0.10 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 2k6y s THR 48 CO 0.38 -0.36 0.16 0.72 -0.69 0.00 0.00 174.62 174.83 2k6y s PHE 49 N 1.56 3.10 -0.32 4.92 -0.12 -0.22 -3.75 117.98 123.14 2k6y s PHE 49 Ca 0.02 -0.08 0.02 0.00 -0.05 0.00 0.00 56.93 56.84 2k6y s PHE 49 Cb -0.18 -1.43 0.10 0.00 -0.63 0.00 0.00 43.02 40.88 2k6y s PHE 49 CO -0.13 0.52 0.06 -1.64 -0.05 0.00 0.00 175.22 173.98 2k6y s MET 50 N -3.56 1.23 0.06 1.99 -1.94 -1.26 -1.75 119.30 114.08 2k6y s MET 50 Ca 0.32 -1.53 0.08 0.00 -1.71 0.00 0.00 55.69 52.85 2k6y s MET 50 Cb -0.09 -2.74 -0.03 0.00 2.01 0.00 0.00 34.83 33.99 2k6y s MET 50 CO 0.24 -0.93 -0.23 0.50 -0.01 0.00 0.00 175.02 174.59 2k6y s ARG 51 N 1.18 1.49 0.58 2.03 3.52 -0.79 -4.86 118.95 122.11 2k6y s ARG 51 Ca 0.09 -1.07 -0.21 0.00 -0.13 0.00 0.00 55.73 54.42 2k6y s ARG 51 Cb -0.18 -1.69 -0.04 0.00 -1.56 0.00 0.00 34.95 31.48 2k6y s ARG 51 CO -0.14 0.43 1.35 0.39 -0.81 0.00 0.00 175.30 176.52 2k6y n GLU 52 N 1.63 1.54 0.00 5.12 4.71 -1.26 -0.32 120.64 132.06 2k6y n GLU 52 Ca -0.17 0.57 0.00 0.00 -0.01 0.00 0.00 57.16 57.55 2k6y n GLU 52 Cb 0.53 -2.58 0.00 0.00 -1.01 0.00 0.00 31.44 28.38 2k6y n GLU 52 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 2k6y n VAL 53 N -1.29 0.00 -0.95 2.62 3.14 -0.97 -4.86 118.33 116.01 2k6y n VAL 53 Ca 0.12 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.28 2k6y n VAL 53 Cb 0.46 -0.01 0.06 0.00 -1.06 0.00 0.00 33.84 33.29 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 -2.25 2.07 0.00 1.45 0.28 -1.26 -4.85 120.64 116.09 2k6y n GLU 54 Ca 0.00 -2.15 0.00 0.00 -0.16 0.00 0.00 57.16 54.85 2k6y n GLU 54 Cb 0.00 -1.84 0.00 0.00 1.43 0.00 0.00 31.44 31.03 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 -0.19 0.63 3.88 -1.84 0.00 -1.26 -4.92 105.19 101.49 2k6y n GLY 55 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 3.77 -0.02 1.61 1.02 -1.26 -4.86 119.74 120.00 2k6y s LYS 56 Ca 0.00 0.42 -0.30 0.00 0.02 0.00 0.00 55.97 56.11 2k6y s LYS 56 Cb 0.00 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.83 2k6y s LYS 56 CO 0.00 0.00 1.53 0.15 -0.92 0.00 0.00 175.35 176.12 2k6y s LYS 57 N -3.77 4.23 0.14 1.68 1.02 -1.26 -2.29 119.74 119.48 2k6y s LYS 57 Ca 0.50 2.10 0.08 0.00 0.02 0.00 0.00 55.97 58.67 2k6y s LYS 57 Cb -0.10 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 2k6y s LYS 57 CO 0.30 -0.71 -0.11 0.54 -0.92 0.00 0.00 175.35 174.46 2k6y s VAL 58 N 3.09 3.24 0.21 3.17 0.11 0.57 -4.87 120.40 125.93 2k6y s VAL 58 Ca 0.69 -1.45 -0.24 0.00 -2.93 0.00 0.00 61.98 58.05 2k6y s VAL 58 Cb -0.33 -2.55 -0.08 0.00 -1.53 0.00 0.00 36.38 31.88 2k6y s VAL 58 CO 0.28 0.02 0.80 -0.04 -3.33 0.00 0.00 175.10 172.83 2k6y s MET 59 N -2.45 4.51 0.27 1.54 -1.94 -1.26 -1.88 119.30 118.09 2k6y s MET 59 Ca 0.22 1.13 -0.16 0.00 -1.71 0.00 0.00 55.69 55.17 2k6y s MET 59 Cb -0.10 -3.08 0.01 0.00 2.01 0.00 0.00 34.83 33.67 2k6y s MET 59 CO 0.14 0.47 0.60 0.20 -0.01 0.00 0.00 175.02 176.42 2k6y s GLY 60 N -1.36 0.26 0.01 -0.03 0.00 -0.71 -5.01 107.32 100.48 2k6y s GLY 60 Ca 0.40 -0.63 0.01 0.00 0.00 0.00 0.00 44.72 44.51 2k6y s GLY 60 CO 0.25 -0.38 -0.04 1.06 0.00 0.00 0.00 173.10 173.99 2k6y s MET 61 N -3.89 0.32 -0.13 2.90 1.00 -1.26 -1.06 119.30 117.18 2k6y s MET 61 Ca 0.17 -0.40 -0.18 0.00 0.00 0.00 0.00 55.69 55.28 2k6y s MET 61 Cb -0.03 -0.15 0.04 0.00 0.00 0.00 0.00 34.83 34.69 2k6y s MET 61 CO 0.08 0.03 0.47 1.03 0.00 0.00 0.00 175.02 176.63 2k6y s ARG 62 N -0.81 0.64 0.47 2.03 0.52 -1.11 -5.01 118.95 115.69 2k6y s ARG 62 Ca -0.06 0.43 -0.23 0.00 -0.52 0.00 0.00 55.73 55.35 2k6y s ARG 62 Cb -0.06 0.31 -0.07 0.00 0.52 0.00 0.00 34.95 35.65 2k6y s ARG 62 CO -0.00 -0.12 1.24 -1.25 0.02 0.00 0.00 175.30 175.18 2k6y s PRO 63 N -0.26 3.66 0.19 3.54 0.04 -1.26 -0.85 135.00 140.05 2k6y s PRO 63 Ca -0.04 1.96 0.11 0.00 0.04 0.00 0.00 61.00 63.07 2k6y s PRO 63 Cb -0.03 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2k6y s PRO 63 CO 0.03 -0.69 -0.20 0.14 0.04 0.00 0.00 177.00 176.32 2k6y s VAL 64 N -1.42 2.60 -1.04 -0.36 -7.23 0.14 -4.86 120.40 108.22 2k6y s VAL 64 Ca 0.64 -1.91 0.15 0.00 -1.81 0.00 0.00 61.98 59.04 2k6y s VAL 64 Cb -0.33 -2.26 0.14 0.00 0.56 0.00 0.00 36.38 34.48 2k6y s VAL 64 CO 0.41 -0.11 1.46 -0.81 -0.31 0.00 0.00 175.10 175.74 2k6y n PRO 65 N 0.21 0.02 -3.59 4.82 -0.04 -1.26 -4.60 135.00 130.56 2k6y n PRO 65 Ca -0.12 0.24 -0.04 0.00 -0.04 0.00 0.00 63.50 63.53 2k6y n PRO 65 Cb 0.56 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 2k6y n PRO 65 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2k6y s PHE 66 N -2.96 -0.17 0.41 0.54 -0.71 -1.26 -4.75 117.98 109.08 2k6y s PHE 66 Ca 0.08 0.06 0.07 0.00 -1.04 0.00 0.00 56.93 56.10 2k6y s PHE 66 Cb 0.10 0.54 -0.08 0.00 -1.21 0.00 0.00 43.02 42.37 2k6y s PHE 66 CO 0.26 -0.37 0.03 -0.51 -1.34 0.00 0.00 175.22 173.29 2k6y s LEU 67 N -2.49 2.90 0.20 -1.99 1.43 0.22 -5.01 118.68 113.94 2k6y s LEU 67 Ca 0.10 -1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 51.67 2k6y s LEU 67 Cb 0.00 -0.98 0.04 0.00 0.03 0.00 0.00 46.19 45.28 2k6y s LEU 67 CO -0.05 -0.45 0.59 -1.83 0.23 0.00 0.00 176.35 174.85 2k6y s GLU 68 N -3.73 1.44 -0.07 1.70 -1.05 -1.26 -0.57 118.70 115.16 2k6y s GLU 68 Ca 0.36 -0.76 -0.06 0.00 -0.15 0.00 0.00 54.97 54.36 2k6y s GLU 68 Cb 0.09 0.57 0.02 0.00 -0.44 0.00 0.00 34.13 34.36 2k6y s GLU 68 CO 0.19 -0.63 0.18 0.08 0.95 0.00 0.00 175.26 176.03 2k6y s VAL 69 N -3.84 -0.01 0.81 1.83 1.01 0.50 -4.98 120.40 115.72 2k6y s VAL 69 Ca 0.07 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 2k6y s VAL 69 Cb -0.02 -0.27 0.08 0.00 0.00 0.00 0.00 36.38 36.17 2k6y s VAL 69 CO -0.04 0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.00 2k6y s PRO 70 N 0.26 1.98 0.52 2.72 0.04 -1.26 -1.05 135.00 138.21 2k6y s PRO 70 Ca -0.01 1.05 -0.22 0.00 0.04 0.00 0.00 61.00 61.85 2k6y s PRO 70 Cb -0.03 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 2k6y s PRO 70 CO -0.01 -1.80 1.30 -1.25 0.04 0.00 0.00 177.00 175.28 2k6y s PRO 71 N -4.92 3.35 0.00 0.56 0.04 -1.26 -3.03 135.00 129.74 2k6y s PRO 71 Ca 0.62 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2k6y s PRO 71 Cb -0.17 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2k6y s PRO 71 CO 0.56 -0.98 0.00 1.63 0.04 0.00 0.00 177.00 178.25 2k6y n LYS 72 N -0.82 0.00 -2.10 4.56 4.76 0.76 -4.97 118.16 120.34 2k6y n LYS 72 Ca 0.09 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.11 2k6y n LYS 72 Cb 0.46 -2.63 -0.03 0.00 -1.84 0.00 0.00 35.03 30.99 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 -1.75 1.94 -0.16 0.72 0.00 -1.17 -4.58 107.32 102.32 2k6y s GLY 73 Ca 0.00 1.21 -0.16 0.00 0.00 0.00 0.00 44.72 45.77 2k6y s GLY 73 CO 0.00 2.39 0.37 -1.60 0.00 0.00 0.00 173.10 174.26 2k6y s ARG 74 N 0.87 4.27 0.42 2.90 3.52 -1.26 -1.81 118.95 127.86 2k6y s ARG 74 Ca 0.65 0.22 0.04 0.00 -0.13 0.00 0.00 55.73 56.51 2k6y s ARG 74 Cb -0.39 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.52 2k6y s ARG 74 CO 0.32 0.15 0.13 0.14 -0.81 0.00 0.00 175.30 175.24 2k6y s VAL 75 N 0.70 0.58 -0.01 7.11 -7.23 0.44 -5.00 120.40 116.99 2k6y s VAL 75 Ca 0.20 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 2k6y s VAL 75 Cb -0.14 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.49 2k6y s VAL 75 CO 0.07 0.00 0.04 -1.61 -0.31 0.00 0.00 175.10 173.28 2k6y s GLU 76 N -3.69 0.05 -1.56 4.82 2.02 -1.26 -1.48 118.70 117.60 2k6y s GLU 76 Ca 0.22 0.04 -0.10 0.00 0.02 0.00 0.00 54.97 55.16 2k6y s GLU 76 Cb 0.02 0.02 -0.09 0.00 0.10 0.00 0.00 34.13 34.18 2k6y s GLU 76 CO 0.14 -0.01 2.94 1.28 0.02 0.00 0.00 175.26 179.64 2k6y n LEU 77 N 3.03 8.53 -4.67 1.80 4.32 0.36 -4.63 117.00 125.73 2k6y n LEU 77 Ca -0.12 -4.27 -0.42 0.00 -0.02 0.00 0.00 56.01 51.17 2k6y n LEU 77 Cb 0.60 -1.53 -0.03 0.00 -1.62 0.00 0.00 43.42 40.84 2k6y n LEU 77 CO 0.25 2.00 1.13 -1.59 -1.22 0.00 0.00 177.39 177.96 2k6y s LYS 78 N 2.20 4.25 0.57 3.23 -2.85 -1.13 -3.83 119.74 122.18 2k6y s LYS 78 Ca 0.68 1.87 0.25 0.00 -1.00 0.00 0.00 55.97 57.77 2k6y s LYS 78 Cb 0.18 -3.72 1.60 0.00 -2.06 0.00 0.00 37.83 33.83 2k6y s LYS 78 CO -0.06 -0.66 2.17 -1.00 0.10 0.00 0.00 175.35 175.91 2k6y h PRO 79 N 8.24 0.00 -5.38 1.78 0.13 -1.92 0.74 132.00 135.60 2k6y h PRO 79 Ca -0.34 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.11 2k6y h PRO 79 Cb 1.15 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 2k6y h PRO 79 CO 0.93 0.00 1.49 0.20 -0.23 0.00 0.00 178.00 180.40 2k6y s GLY 80 N -4.07 1.87 0.00 1.56 0.00 -1.26 -4.34 107.32 101.08 2k6y s GLY 80 Ca -0.05 -2.89 0.00 0.00 0.00 0.00 0.00 44.72 41.78 2k6y s GLY 80 CO 0.60 2.35 0.00 0.61 0.00 0.00 0.00 173.10 176.66 2k6y n GLY 81 N 5.32 0.28 3.10 0.20 0.00 -0.76 -5.04 105.19 108.29 2k6y n GLY 81 Ca 0.36 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 0.19 0.21 1.61 2.02 0.18 -0.75 117.35 120.81 2k6y s TYR 82 Ca 0.00 -0.47 -0.20 0.00 -0.37 0.00 0.00 57.07 56.04 2k6y s TYR 82 Cb 0.00 -0.14 0.03 0.00 -0.40 0.00 0.00 41.96 41.45 2k6y s TYR 82 CO 0.00 -0.34 0.60 -3.38 -1.57 0.00 0.00 175.55 170.86 2k6y s HIS 83 N -2.35 -0.22 -0.03 2.71 -3.43 -0.44 -2.82 115.29 108.70 2k6y s HIS 83 Ca -0.07 -0.13 -0.15 0.00 -0.80 0.00 0.00 55.06 53.90 2k6y s HIS 83 Cb -0.03 0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 31.59 2k6y s HIS 83 CO -0.03 -1.00 0.41 -0.06 -2.00 0.00 0.00 174.74 172.06 2k6y s PHE 84 N -3.87 3.67 -0.11 0.38 0.08 -0.49 -0.45 117.98 117.20 2k6y s PHE 84 Ca 0.08 0.95 -0.05 0.00 0.12 0.00 0.00 56.93 58.03 2k6y s PHE 84 Cb -0.02 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 2k6y s PHE 84 CO -0.02 0.52 0.09 1.41 -0.10 0.00 0.00 175.22 177.12 2k6y s MET 85 N -0.62 3.30 -0.10 0.44 1.75 0.50 -0.71 119.30 123.86 2k6y s MET 85 Ca 0.24 -0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.47 2k6y s MET 85 Cb -0.16 -3.05 -0.01 0.00 2.84 0.00 0.00 34.83 34.45 2k6y s MET 85 CO 0.12 0.73 -0.20 -0.51 -0.65 0.00 0.00 175.02 174.50 2k6y s LEU 86 N -0.91 2.32 0.06 4.11 1.43 -0.21 -1.51 118.68 123.97 2k6y s LEU 86 Ca 0.14 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2k6y s LEU 86 Cb -0.12 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2k6y s LEU 86 CO 0.03 0.19 0.03 -0.76 0.23 0.00 0.00 176.35 176.07 2k6y s LEU 87 N 0.17 2.19 0.00 1.79 1.43 0.50 -0.65 118.68 124.11 2k6y s LEU 87 Ca -0.12 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 2k6y s LEU 87 Cb -0.16 0.42 0.00 0.00 0.03 0.00 0.00 46.19 46.48 2k6y s LEU 87 CO 0.06 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.64 2k6y n GLY 88 N 0.14 1.50 2.02 -3.19 0.00 -1.14 -1.79 105.19 102.73 2k6y n GLY 88 Ca -0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.09 0.02 0.99 4.77 -1.26 -4.83 117.00 112.59 2k6y n LEU 89 Ca 0.00 1.01 0.12 0.00 -0.03 0.00 0.00 56.01 57.11 2k6y n LEU 89 Cb 0.00 -2.08 0.49 0.00 -2.33 0.00 0.00 43.42 39.51 2k6y n LEU 89 CO 0.00 -1.83 0.88 2.29 -1.33 0.00 0.00 177.39 177.40 2k6y n LYS 90 N 0.71 0.05 -4.03 3.23 2.85 -1.26 -4.74 118.16 114.97 2k6y n LYS 90 Ca -0.16 0.13 -0.08 0.00 -1.05 0.00 0.00 58.31 57.15 2k6y n LYS 90 Cb 0.25 -1.57 -0.10 0.00 -0.65 0.00 0.00 35.03 32.97 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 -3.04 0.60 0.82 -1.58 1.81 -1.22 -5.02 118.95 111.32 2k6y s ARG 91 Ca 0.11 -1.05 -0.11 0.00 -1.72 0.00 0.00 55.73 52.95 2k6y s ARG 91 Cb 0.15 0.22 0.08 0.00 -0.45 0.00 0.00 34.95 34.95 2k6y s ARG 91 CO 0.45 -0.13 1.09 -1.25 -0.68 0.00 0.00 175.30 174.79 2k6y s PRO 92 N -3.44 1.87 0.13 3.54 0.04 -1.26 -4.82 135.00 131.05 2k6y s PRO 92 Ca 0.02 0.88 0.09 0.00 0.04 0.00 0.00 61.00 62.03 2k6y s PRO 92 Cb 0.04 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2k6y s PRO 92 CO -0.08 -1.83 -0.21 -0.51 0.04 0.00 0.00 177.00 174.40 2k6y s LEU 93 N -5.98 2.35 -0.07 -3.56 1.02 -1.26 -4.98 118.68 106.20 2k6y s LEU 93 Ca 0.62 -0.75 -0.03 0.00 0.02 0.00 0.00 54.13 53.99 2k6y s LEU 93 Cb -0.17 -0.92 0.04 0.00 0.02 0.00 0.00 46.19 45.17 2k6y s LEU 93 CO 0.56 0.05 0.13 -0.75 0.02 0.00 0.00 176.35 176.36 2k6y s LYS 94 N -2.20 0.00 0.37 1.70 2.47 -1.26 -5.02 119.74 115.80 2k6y s LYS 94 Ca 0.10 0.50 -0.28 0.00 -1.56 0.00 0.00 55.97 54.73 2k6y s LYS 94 Cb -0.09 -0.34 -0.11 0.00 -1.46 0.00 0.00 37.83 35.83 2k6y s LYS 94 CO 0.05 -0.31 1.42 0.00 0.16 0.00 0.00 175.35 176.68 2k6y n ALA 95 N 5.25 2.03 0.00 3.13 0.00 -1.26 -3.83 120.51 125.83 2k6y n ALA 95 Ca -0.05 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2k6y n ALA 95 Cb 0.50 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 0.56 2.99 1.48 0.00 0.00 -1.25 -5.08 105.19 103.89 2k6y n GLY 96 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2k6y n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k6y n GLU 97 N -1.22 0.16 -3.65 1.61 -0.58 -1.25 -4.76 120.64 110.96 2k6y n GLU 97 Ca 0.00 -0.99 -0.30 0.00 -0.42 0.00 0.00 57.16 55.46 2k6y n GLU 97 Cb 0.00 -0.31 -0.04 0.00 -0.57 0.00 0.00 31.44 30.52 2k6y n GLU 97 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2k6y s GLU 98 N -3.57 3.58 -0.19 3.49 2.02 -1.26 0.03 118.70 122.81 2k6y s GLU 98 Ca 0.26 -0.17 -0.06 0.00 0.02 0.00 0.00 54.97 55.02 2k6y s GLU 98 Cb -0.01 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.36 2k6y s GLU 98 CO 0.18 0.42 0.03 0.08 0.02 0.00 0.00 175.26 175.98 2k6y s VAL 99 N -1.78 4.34 0.32 2.63 1.01 0.15 -4.81 120.40 122.27 2k6y s VAL 99 Ca 0.40 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 2k6y s VAL 99 Cb -0.12 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 2k6y s VAL 99 CO 0.27 0.44 0.73 -0.70 0.00 0.00 0.00 175.10 175.84 2k6y s GLU 100 N 0.68 3.99 -0.25 2.72 -6.30 -1.26 -1.13 118.70 117.14 2k6y s GLU 100 Ca 0.01 0.64 -0.23 0.00 -2.50 0.00 0.00 54.97 52.89 2k6y s GLU 100 Cb -0.14 -2.44 0.07 0.00 0.00 0.00 0.00 34.13 31.62 2k6y s GLU 100 CO 0.02 0.16 0.67 -1.17 0.02 0.00 0.00 175.26 174.96 2k6y s LEU 101 N -3.00 -0.57 -0.43 2.70 0.20 -0.14 -4.13 118.68 113.31 2k6y s LEU 101 Ca 0.54 1.35 -0.13 0.00 0.69 0.00 0.00 54.13 56.58 2k6y s LEU 101 Cb -0.10 2.31 0.05 0.00 -0.43 0.00 0.00 46.19 48.02 2k6y s LEU 101 CO 0.18 -0.23 0.32 -1.81 -0.29 0.00 0.00 176.35 174.51 2k6y s ASP 102 N 0.35 5.98 -0.22 3.68 1.01 -0.02 -0.40 116.67 127.04 2k6y s ASP 102 Ca -0.00 -1.21 -0.29 0.00 0.71 0.00 0.00 52.55 51.76 2k6y s ASP 102 Cb -0.05 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.77 2k6y s ASP 102 CO 0.01 -0.54 1.15 -0.76 0.21 0.00 0.00 175.17 175.24 2k6y s LEU 103 N 1.60 4.09 -0.13 1.23 1.43 -0.03 -1.68 118.68 125.19 2k6y s LEU 103 Ca 0.04 1.45 -0.15 0.00 -1.03 0.00 0.00 54.13 54.44 2k6y s LEU 103 Cb -0.22 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 2k6y s LEU 103 CO 0.07 -0.76 0.34 -0.76 0.23 0.00 0.00 176.35 175.47 2k6y s LEU 104 N 3.45 4.29 -0.02 1.79 1.43 -0.23 -1.17 118.68 128.22 2k6y s LEU 104 Ca 0.49 0.63 0.06 0.00 -1.03 0.00 0.00 54.13 54.28 2k6y s LEU 104 Cb -0.17 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 2k6y s LEU 104 CO 0.12 0.12 -0.19 -0.36 0.23 0.00 0.00 176.35 176.27 2k6y s PHE 105 N 0.22 1.73 0.38 0.29 0.40 -0.40 -0.23 117.98 120.37 2k6y s PHE 105 Ca 0.19 -0.35 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 2k6y s PHE 105 Cb -0.14 -1.12 0.79 0.00 0.51 0.00 0.00 43.02 43.06 2k6y s PHE 105 CO 0.06 -0.05 2.00 0.00 0.70 0.00 0.00 175.22 177.94 2k6y h ALA 106 N 5.73 1.71 0.00 5.36 0.00 -1.35 -3.03 119.26 127.68 2k6y h ALA 106 Ca -0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k6y h ALA 106 Cb 1.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k6y h ALA 106 CO 0.48 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2k6y n GLY 107 N -1.46 2.02 2.93 0.00 0.00 -1.26 -4.73 105.19 102.68 2k6y n GLY 107 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 0.88 -0.19 3.10 -0.02 0.00 -1.20 -5.05 105.19 102.71 2k6y n GLY 108 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.15 0.66 -0.09 1.61 3.01 -1.15 -5.07 119.74 113.57 2k6y s LYS 109 Ca 0.04 -1.24 -0.17 0.00 -1.01 0.00 0.00 55.97 53.58 2k6y s LYS 109 Cb -0.02 0.22 0.04 0.00 -1.01 0.00 0.00 37.83 37.06 2k6y s LYS 109 CO 0.57 -0.14 0.42 0.54 0.51 0.00 0.00 175.35 177.26 2k6y s VAL 110 N -3.94 0.02 -0.10 3.17 0.11 -1.26 -1.27 120.40 117.14 2k6y s VAL 110 Ca 0.09 -0.20 -0.00 0.00 -2.93 0.00 0.00 61.98 58.94 2k6y s VAL 110 Cb 0.08 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 2k6y s VAL 110 CO -0.08 -0.11 -0.07 -0.76 -3.33 0.00 0.00 175.10 170.75 2k6y s LEU 111 N -0.62 1.15 0.11 2.54 1.43 -0.32 -4.96 118.68 118.01 2k6y s LEU 111 Ca -0.07 -0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 52.47 2k6y s LEU 111 Cb -0.04 -0.75 -0.07 0.00 0.03 0.00 0.00 46.19 45.36 2k6y s LEU 111 CO 0.03 -0.11 1.26 -0.75 0.23 0.00 0.00 176.35 177.02 2k6y s LYS 112 N 1.59 4.41 0.08 1.70 2.47 -1.26 -0.85 119.74 127.86 2k6y s LYS 112 Ca 0.02 1.90 0.05 0.00 -1.56 0.00 0.00 55.97 56.38 2k6y s LYS 112 Cb -0.13 -3.29 -0.03 0.00 -1.46 0.00 0.00 37.83 32.92 2k6y s LYS 112 CO -0.06 -0.28 -0.14 0.14 0.16 0.00 0.00 175.35 175.17 2k6y s VAL 113 N 0.81 1.10 0.14 4.02 -7.23 0.47 -4.96 120.40 114.75 2k6y s VAL 113 Ca 0.59 -1.35 0.08 0.00 -1.81 0.00 0.00 61.98 59.49 2k6y s VAL 113 Cb -0.33 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 2k6y s VAL 113 CO 0.31 -0.26 -0.10 0.68 -0.31 0.00 0.00 175.10 175.42 2k6y s VAL 114 N -1.41 3.25 -0.07 1.32 -7.23 -1.26 -0.96 120.40 114.04 2k6y s VAL 114 Ca -0.01 -1.47 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 2k6y s VAL 114 Cb -0.09 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.31 2k6y s VAL 114 CO 0.02 0.00 0.30 -0.76 -0.31 0.00 0.00 175.10 174.35 2k6y s LEU 115 N -2.51 0.89 0.55 1.32 1.43 -0.29 -4.75 118.68 115.32 2k6y s LEU 115 Ca 0.23 0.34 -0.20 0.00 -1.03 0.00 0.00 54.13 53.47 2k6y s LEU 115 Cb -0.10 1.11 -0.05 0.00 0.03 0.00 0.00 46.19 47.18 2k6y s LEU 115 CO 0.14 -0.26 1.19 -2.16 0.23 0.00 0.00 176.35 175.48 2k6y s PRO 116 N -0.55 3.27 -0.05 1.29 0.04 -1.26 0.32 135.00 138.06 2k6y s PRO 116 Ca -0.07 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 2k6y s PRO 116 Cb -0.04 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2k6y s PRO 116 CO 0.02 -0.96 0.98 0.08 0.04 0.00 0.00 177.00 177.16 2k6y s VAL 117 N -1.62 4.84 -0.07 -0.36 1.01 0.10 -1.15 120.40 123.16 2k6y s VAL 117 Ca 0.73 2.03 0.05 0.00 0.00 0.00 0.00 61.98 64.78 2k6y s VAL 117 Cb -0.29 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 2k6y s VAL 117 CO 0.32 0.10 -0.22 -0.70 0.00 0.00 0.00 175.10 174.61 2k6y s GLU 118 N 1.42 2.68 -0.13 2.72 2.12 -0.36 -3.76 118.70 123.39 2k6y s GLU 118 Ca 0.50 -0.84 -0.27 0.00 0.36 0.00 0.00 54.97 54.72 2k6y s GLU 118 Cb -0.20 -2.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.91 2k6y s GLU 118 CO 0.23 0.39 0.89 0.00 -0.54 0.00 0.00 175.26 176.23 2k6y s ALA 119 N -0.16 3.45 0.00 6.30 0.00 -1.26 -0.41 121.76 129.68 2k6y s ALA 119 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2k6y s ALA 119 Cb -0.14 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2k6y s ALA 119 CO 0.04 -0.57 0.00 -2.13 0.00 0.00 0.00 175.76 173.10