#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y n SER 2 N 0.00 0.00 -0.57 1.61 7.64 -1.26 -5.15 113.62 115.89 2k6y n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k6y n SER 2 Cb 0.00 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.48 0.00 -2.23 1.43 3.72 -1.26 -5.08 117.46 112.57 2k6y n PHE 3 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 2k6y n PHE 3 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 2k6y n PHE 3 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2k6y s THR 4 N -1.33 3.54 -0.16 4.37 -4.23 -1.26 -4.75 115.64 111.82 2k6y s THR 4 Ca 0.00 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 2k6y s THR 4 Cb 0.00 -4.33 0.02 0.00 1.34 0.00 0.00 72.50 69.53 2k6y s THR 4 CO 0.00 -1.27 -0.16 -1.61 -0.54 0.00 0.00 174.62 171.04 2k6y s GLU 5 N 6.46 2.56 0.33 3.99 2.02 -1.25 -4.95 118.70 127.87 2k6y s GLU 5 Ca 0.58 -0.67 -0.08 0.00 0.02 0.00 0.00 54.97 54.83 2k6y s GLU 5 Cb -0.08 -2.29 0.01 0.00 0.10 0.00 0.00 34.13 31.87 2k6y s GLU 5 CO 0.09 -0.23 0.55 0.20 0.02 0.00 0.00 175.26 175.89 2k6y s GLY 6 N 1.41 1.03 0.16 -1.39 0.00 -1.26 0.07 107.32 107.33 2k6y s GLY 6 Ca 0.05 -1.20 -0.23 0.00 0.00 0.00 0.00 44.72 43.33 2k6y s GLY 6 CO -0.12 -0.76 0.67 0.66 0.00 0.00 0.00 173.10 173.55 2k6y s TRP 7 N -3.09 -0.45 -0.14 1.90 -2.14 -0.64 -4.35 118.94 110.03 2k6y s TRP 7 Ca 0.25 0.20 0.01 0.00 2.66 0.00 0.00 56.10 59.22 2k6y s TRP 7 Cb -0.02 0.58 -0.00 0.00 -3.10 0.00 0.00 33.47 30.94 2k6y s TRP 7 CO 0.16 -0.87 -0.17 0.08 -2.66 0.00 0.00 176.95 173.48 2k6y s VAL 8 N -3.68 2.55 -0.30 -0.66 1.01 -0.15 -1.32 120.40 117.84 2k6y s VAL 8 Ca 0.03 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 2k6y s VAL 8 Cb -0.02 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2k6y s VAL 8 CO -0.09 0.53 0.47 -0.60 0.00 0.00 0.00 175.10 175.41 2k6y s ARG 9 N 0.71 3.86 0.17 2.72 3.00 -0.09 -0.65 118.95 128.67 2k6y s ARG 9 Ca -0.08 0.02 -0.03 0.00 -1.00 0.00 0.00 55.73 54.65 2k6y s ARG 9 Cb -0.16 -3.72 0.04 0.00 0.00 0.00 0.00 34.95 31.11 2k6y s ARG 9 CO 0.01 -0.45 0.19 1.97 0.00 0.00 0.00 175.30 177.02 2k6y n PHE 10 N 5.55 -3.53 -3.64 5.12 -1.74 -0.03 -2.58 117.46 116.62 2k6y n PHE 10 Ca -0.06 -0.17 -0.01 0.00 -0.56 0.00 0.00 57.45 56.65 2k6y n PHE 10 Cb 0.50 -0.17 -0.01 0.00 1.52 0.00 0.00 39.48 41.32 2k6y n PHE 10 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2k6y s SER 11 N -1.87 -0.11 0.00 5.98 0.01 -1.26 -4.71 113.70 111.74 2k6y s SER 11 Ca 0.11 -0.16 0.20 0.00 1.31 0.00 0.00 55.95 57.41 2k6y s SER 11 Cb -0.01 0.24 0.94 0.00 0.21 0.00 0.00 66.02 67.41 2k6y s SER 11 CO 0.08 -0.43 1.61 -0.81 0.41 0.00 0.00 173.24 174.10 2k6y n PRO 12 N -0.40 0.20 0.00 12.44 -0.04 -1.26 -4.68 135.00 141.26 2k6y n PRO 12 Ca -0.07 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2k6y n PRO 12 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.41 1.91 0.00 0.55 0.00 -1.26 -4.96 105.19 101.84 2k6y n GLY 13 Ca 0.08 -2.05 0.14 0.00 0.00 0.00 0.00 46.02 44.19 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 0.74 0.23 -4.41 1.61 -0.04 -1.26 -5.04 135.00 126.83 2k6y n PRO 14 Ca 0.00 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 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 -2.77 2.28 0.08 3.54 2.20 -1.26 -0.73 114.94 118.28 2k6y s ASN 15 Ca 0.21 -1.29 -0.06 0.00 -0.94 0.00 0.00 52.86 50.78 2k6y s ASN 15 Cb 0.19 -0.07 0.02 0.00 -2.00 0.00 0.00 41.25 39.39 2k6y s ASN 15 CO 0.48 -0.52 0.30 0.00 -2.94 0.00 0.00 177.10 174.42 2k6y n ALA 16 N -0.58 -0.76 -2.73 3.54 0.00 -0.59 -4.49 120.51 114.91 2k6y n ALA 16 Ca -0.04 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 52.96 2k6y n ALA 16 Cb 0.65 0.22 -0.10 0.00 0.00 0.00 0.00 19.45 20.23 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 -1.33 -0.03 -0.01 0.00 0.00 -1.06 -1.24 121.76 118.09 2k6y s ALA 17 Ca 0.07 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 2k6y s ALA 17 Cb -0.01 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2k6y s ALA 17 CO 0.02 -0.30 0.12 0.00 0.00 0.00 0.00 175.76 175.60 2k6y s ALA 18 N -2.51 -0.28 0.04 0.00 0.00 -0.86 -0.92 121.76 117.23 2k6y s ALA 18 Ca -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 2k6y s ALA 18 Cb -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2k6y s ALA 18 CO -0.04 -0.16 -0.00 0.71 0.00 0.00 0.00 175.76 176.27 2k6y s TYR 19 N -0.95 0.41 -0.01 0.00 2.02 -0.44 -1.20 117.35 117.19 2k6y s TYR 19 Ca -0.10 -0.87 -0.28 0.00 -0.37 0.00 0.00 57.07 55.44 2k6y s TYR 19 Cb -0.06 -0.30 0.10 0.00 -0.40 0.00 0.00 41.96 41.30 2k6y s TYR 19 CO 0.01 -0.35 0.86 -0.48 -1.57 0.00 0.00 175.55 174.02 2k6y s LEU 20 N -2.54 -0.40 0.02 -1.29 2.34 -1.26 -1.61 118.68 113.94 2k6y s LEU 20 Ca 0.01 0.08 -0.25 0.00 0.06 0.00 0.00 54.13 54.02 2k6y s LEU 20 Cb 0.03 2.08 -0.05 0.00 -0.56 0.00 0.00 46.19 47.69 2k6y s LEU 20 CO -0.08 -0.62 0.78 -0.89 -1.06 0.00 0.00 176.35 174.48 2k6y s THR 21 N -2.87 4.81 -0.07 5.48 2.01 0.11 -0.57 115.64 124.55 2k6y s THR 21 Ca 0.03 1.64 -0.07 0.00 0.31 0.00 0.00 61.69 63.60 2k6y s THR 21 Cb -0.01 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.39 2k6y s THR 21 CO -0.07 0.31 0.20 -0.22 -0.69 0.00 0.00 174.62 174.15 2k6y s LEU 22 N 0.26 1.24 0.01 4.42 1.98 -0.40 -3.94 118.68 122.25 2k6y s LEU 22 Ca 0.40 0.34 -0.28 0.00 -2.89 0.00 0.00 54.13 51.70 2k6y s LEU 22 Cb -0.20 0.72 0.07 0.00 0.66 0.00 0.00 46.19 47.44 2k6y s LEU 22 CO 0.23 -0.11 0.63 -1.83 -1.89 0.00 0.00 176.35 173.37 2k6y s GLU 23 N -0.09 1.10 -0.24 1.98 -1.05 -1.26 -0.60 118.70 118.55 2k6y s GLU 23 Ca -0.02 0.01 0.02 0.00 -0.15 0.00 0.00 54.97 54.83 2k6y s GLU 23 Cb -0.02 0.51 0.05 0.00 -0.44 0.00 0.00 34.13 34.23 2k6y s GLU 23 CO 0.01 -0.39 -0.12 1.21 0.95 0.00 0.00 175.26 176.91 2k6y s ASN 24 N -1.68 4.03 0.00 0.83 2.47 -0.10 -4.99 114.94 115.51 2k6y s ASN 24 Ca -0.07 -1.18 0.28 0.00 0.42 0.00 0.00 52.86 52.30 2k6y s ASN 24 Cb -0.00 -1.47 1.07 0.00 -1.45 0.00 0.00 41.25 39.39 2k6y s ASN 24 CO 0.03 -0.15 1.80 -0.81 -3.72 0.00 0.00 177.10 174.24 2k6y n PRO 25 N 4.51 0.11 -1.90 0.43 -0.04 -1.26 -1.48 135.00 135.38 2k6y n PRO 25 Ca -0.15 -0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 62.99 2k6y n PRO 25 Cb 0.44 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.48 2k6y n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k6y s GLY 26 N -2.91 1.60 0.00 0.55 0.00 -1.26 -4.64 107.32 100.66 2k6y s GLY 26 Ca 0.16 -0.59 0.25 0.00 0.00 0.00 0.00 44.72 44.54 2k6y s GLY 26 CO 0.56 -0.12 1.36 1.22 0.00 0.00 0.00 173.10 176.12 2k6y n ASP 27 N -3.26 1.48 -4.53 1.64 9.92 -1.26 -2.29 116.55 118.25 2k6y n ASP 27 Ca 0.08 -1.18 -0.24 0.00 -0.53 0.00 0.00 54.79 52.92 2k6y n ASP 27 Cb 0.60 0.28 -0.09 0.00 -0.64 0.00 0.00 41.12 41.28 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 -2.48 2.80 0.58 0.64 0.05 -1.26 -4.80 118.68 114.21 2k6y s LEU 28 Ca 0.22 -0.91 -0.14 0.00 0.05 0.00 0.00 54.13 53.34 2k6y s LEU 28 Cb 0.19 -1.30 -0.05 0.00 -2.05 0.00 0.00 46.19 42.98 2k6y s LEU 28 CO 0.54 0.01 1.02 -2.16 -0.55 0.00 0.00 176.35 175.21 2k6y s PRO 29 N -3.57 3.58 0.09 1.48 0.04 -1.26 -4.17 135.00 131.18 2k6y s PRO 29 Ca 0.31 0.98 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 2k6y s PRO 29 Cb -0.05 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2k6y s PRO 29 CO 0.17 -0.58 0.26 -0.51 0.04 0.00 0.00 177.00 176.37 2k6y s LEU 30 N -4.61 4.33 -0.20 -3.56 1.43 0.10 -4.94 118.68 111.24 2k6y s LEU 30 Ca 0.59 0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2k6y s LEU 30 Cb -0.12 -3.04 0.06 0.00 0.03 0.00 0.00 46.19 43.12 2k6y s LEU 30 CO 0.41 0.13 0.03 -0.60 0.23 0.00 0.00 176.35 176.54 2k6y s ARG 31 N -2.61 0.76 -0.39 1.70 3.52 -1.26 -0.29 118.95 120.38 2k6y s ARG 31 Ca 0.36 -0.50 -0.21 0.00 -0.13 0.00 0.00 55.73 55.26 2k6y s ARG 31 Cb -0.13 -2.16 0.01 0.00 -1.56 0.00 0.00 34.95 31.11 2k6y s ARG 31 CO 0.27 -0.64 0.64 -1.17 -0.81 0.00 0.00 175.30 173.59 2k6y s LEU 32 N 1.80 4.34 -0.00 -0.88 2.96 0.49 -0.86 118.68 126.54 2k6y s LEU 32 Ca -0.01 -0.05 0.14 0.00 -0.22 0.00 0.00 54.13 53.99 2k6y s LEU 32 Cb -0.17 -2.77 -0.16 0.00 0.50 0.00 0.00 46.19 43.59 2k6y s LEU 32 CO -0.08 -0.67 0.58 1.33 -1.32 0.00 0.00 176.35 176.18 2k6y n VAL 33 N 5.70 0.00 -3.17 1.68 0.24 0.10 -0.46 118.33 122.43 2k6y n VAL 33 Ca -0.01 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2k6y n VAL 33 Cb 0.48 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 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 1.37 -0.59 2.89 7.63 0.00 -1.09 -4.74 105.19 110.66 2k6y n GLY 34 Ca 0.02 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.20 -3.54 4.61 0.00 -1.26 -0.86 120.51 119.26 2k6y n ALA 35 Ca 0.00 -1.43 -0.12 0.00 0.00 0.00 0.00 53.44 51.90 2k6y n ALA 35 Cb 0.00 1.15 -0.09 0.00 0.00 0.00 0.00 19.45 20.51 2k6y n ALA 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k6y s ARG 36 N -2.74 0.60 0.02 0.00 6.06 -0.25 -4.82 118.95 117.82 2k6y s ARG 36 Ca 0.26 0.86 -0.18 0.00 -2.50 0.00 0.00 55.73 54.17 2k6y s ARG 36 Cb -0.01 0.21 0.03 0.00 0.06 0.00 0.00 34.95 35.25 2k6y s ARG 36 CO 0.19 -0.11 0.40 -0.08 -2.50 0.00 0.00 175.30 173.20 2k6y s THR 37 N 0.79 0.05 -0.92 4.11 -1.32 -1.26 -0.45 115.64 116.64 2k6y s THR 37 Ca -0.04 -0.43 0.27 0.00 -1.21 0.00 0.00 61.69 60.28 2k6y s THR 37 Cb -0.05 -0.86 0.19 0.00 -1.51 0.00 0.00 72.50 70.28 2k6y s THR 37 CO -0.06 -0.24 1.76 -0.81 -2.21 0.00 0.00 174.62 173.06 2k6y n PRO 38 N 0.79 0.08 0.00 7.08 -0.04 -1.26 -3.98 135.00 137.67 2k6y n PRO 38 Ca -0.19 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2k6y n PRO 38 Cb 0.58 -1.58 0.25 0.00 -0.04 0.00 0.00 33.50 32.72 2k6y n PRO 38 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2k6y n VAL 39 N -1.71 0.00 -3.84 0.52 0.24 -1.26 -4.27 118.33 108.01 2k6y n VAL 39 Ca 0.06 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 62.06 2k6y n VAL 39 Cb 0.37 0.76 -0.07 0.00 -1.47 0.00 0.00 33.84 33.42 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 -2.40 -0.30 -0.16 2.33 0.00 -1.26 -2.82 121.76 117.16 2k6y s ALA 40 Ca 0.24 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 2k6y s ALA 40 Cb 0.19 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 2k6y s ALA 40 CO 0.50 -0.48 -0.30 -1.91 0.00 0.00 0.00 175.76 173.57 2k6y n GLU 41 N 0.11 0.47 -2.96 0.00 4.07 0.08 -4.62 120.64 117.79 2k6y n GLU 41 Ca -0.16 0.23 -0.40 0.00 -0.06 0.00 0.00 57.16 56.77 2k6y n GLU 41 Cb 0.62 -1.38 -0.05 0.00 -0.06 0.00 0.00 31.44 30.57 2k6y n GLU 41 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2k6y s ARG 42 N -2.65 4.51 -0.11 5.31 3.52 -0.02 -4.98 118.95 124.52 2k6y s ARG 42 Ca -0.25 1.09 -0.09 0.00 -0.13 0.00 0.00 55.73 56.36 2k6y s ARG 42 Cb 0.03 -3.37 0.03 0.00 -1.56 0.00 0.00 34.95 30.09 2k6y s ARG 42 CO 0.36 0.27 0.29 0.54 -0.81 0.00 0.00 175.30 175.95 2k6y s VAL 43 N -0.03 -0.01 -0.12 7.11 0.11 -1.26 -0.62 120.40 125.58 2k6y s VAL 43 Ca 0.39 0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 59.39 2k6y s VAL 43 Cb -0.21 -0.42 0.04 0.00 -1.53 0.00 0.00 36.38 34.26 2k6y s VAL 43 CO 0.23 0.02 0.31 -1.61 -3.33 0.00 0.00 175.10 170.72 2k6y s GLU 44 N 0.52 0.33 -0.11 1.54 2.02 -0.60 -4.82 118.70 117.59 2k6y s GLU 44 Ca -0.03 0.51 -0.28 0.00 0.02 0.00 0.00 54.97 55.19 2k6y s GLU 44 Cb -0.05 0.07 -0.01 0.00 0.10 0.00 0.00 34.13 34.24 2k6y s GLU 44 CO -0.03 -0.09 0.96 -1.17 0.02 0.00 0.00 175.26 174.95 2k6y s LEU 45 N 0.63 4.24 0.24 1.80 0.20 -1.26 -1.00 118.68 123.53 2k6y s LEU 45 Ca -0.04 1.45 0.11 0.00 0.69 0.00 0.00 54.13 56.35 2k6y s LEU 45 Cb -0.05 -3.47 -0.05 0.00 -0.43 0.00 0.00 46.19 42.19 2k6y s LEU 45 CO -0.04 -0.41 -0.19 -1.00 -0.29 0.00 0.00 176.35 174.42 2k6y s HIS 46 N 1.93 2.35 0.50 5.38 3.76 0.13 -1.13 115.29 128.21 2k6y s HIS 46 Ca 0.46 -0.32 0.08 0.00 -0.15 0.00 0.00 55.06 55.13 2k6y s HIS 46 Cb -0.18 -1.08 0.05 0.00 1.11 0.00 0.00 32.58 32.48 2k6y s HIS 46 CO 0.17 0.62 0.68 -1.83 -0.85 0.00 0.00 174.74 173.53 2k6y s GLU 47 N -3.18 2.57 -0.07 1.40 -1.05 0.18 -1.03 118.70 117.53 2k6y s GLU 47 Ca 0.26 -1.39 0.02 0.00 -0.15 0.00 0.00 54.97 53.72 2k6y s GLU 47 Cb -0.06 -2.69 0.01 0.00 -0.44 0.00 0.00 34.13 30.94 2k6y s GLU 47 CO 0.14 -0.56 -0.13 0.99 0.95 0.00 0.00 175.26 176.64 2k6y s THR 48 N -2.51 1.21 0.32 1.83 2.01 -0.32 -2.53 115.64 115.65 2k6y s THR 48 Ca 0.58 -0.53 0.08 0.00 0.31 0.00 0.00 61.69 62.14 2k6y s THR 48 Cb -0.08 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 2k6y s THR 48 CO 0.36 0.37 0.11 0.72 -0.69 0.00 0.00 174.62 175.49 2k6y s PHE 49 N 0.61 2.71 -0.01 4.92 -0.12 -0.30 -4.37 117.98 121.43 2k6y s PHE 49 Ca -0.14 -0.34 0.01 0.00 -0.05 0.00 0.00 56.93 56.41 2k6y s PHE 49 Cb -0.16 -1.54 -0.03 0.00 -0.63 0.00 0.00 43.02 40.66 2k6y s PHE 49 CO 0.04 0.41 -0.02 0.00 -0.05 0.00 0.00 175.22 175.60 2k6y s MET 50 N -3.81 2.76 -0.25 1.99 0.23 -1.26 -3.09 119.30 115.87 2k6y s MET 50 Ca 0.36 -0.61 -0.20 0.00 -1.03 0.00 0.00 55.69 54.22 2k6y s MET 50 Cb -0.03 -2.65 0.07 0.00 -1.53 0.00 0.00 34.83 30.69 2k6y s MET 50 CO 0.22 0.63 0.64 0.50 -2.03 0.00 0.00 175.02 174.98 2k6y s ARG 51 N -1.42 0.72 0.24 3.16 3.00 0.12 -4.99 118.95 119.78 2k6y s ARG 51 Ca 0.18 0.99 -0.14 0.00 -1.00 0.00 0.00 55.73 55.76 2k6y s ARG 51 Cb -0.11 0.27 -0.08 0.00 0.00 0.00 0.00 34.95 35.03 2k6y s ARG 51 CO 0.08 -0.11 0.63 -1.21 0.00 0.00 0.00 175.30 174.69 2k6y s GLU 52 N 0.80 3.96 0.00 5.12 8.01 -1.26 -0.35 118.70 134.98 2k6y s GLU 52 Ca -0.04 0.52 0.00 0.00 0.01 0.00 0.00 54.97 55.47 2k6y s GLU 52 Cb -0.05 -2.66 0.00 0.00 -4.31 0.00 0.00 34.13 27.11 2k6y s GLU 52 CO -0.06 0.31 0.00 0.28 0.01 0.00 0.00 175.26 175.80 2k6y n VAL 53 N 0.09 0.00 0.22 2.63 0.31 -1.02 -4.87 118.33 115.69 2k6y n VAL 53 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k6y n VAL 53 Cb 0.52 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 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 -0.29 0.77 0.00 5.55 2.13 -1.26 -4.68 120.64 122.85 2k6y n GLU 54 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2k6y n GLU 54 Cb 0.00 -1.11 0.00 0.00 0.27 0.00 0.00 31.44 30.60 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k6y n GLY 55 N 1.09 1.58 3.81 8.31 0.00 -1.26 -4.97 105.19 113.75 2k6y n GLY 55 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2k6y n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6y s LYS 56 N 0.00 4.30 -0.20 1.61 1.02 -1.26 -4.93 119.74 120.28 2k6y s LYS 56 Ca 0.00 1.01 -0.29 0.00 0.02 0.00 0.00 55.97 56.71 2k6y s LYS 56 Cb 0.00 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 2k6y s LYS 56 CO 0.00 0.24 1.06 0.15 -0.92 0.00 0.00 175.35 175.87 2k6y s LYS 57 N -2.41 4.29 0.08 1.68 1.02 -1.26 -2.44 119.74 120.70 2k6y s LYS 57 Ca 0.51 1.40 0.06 0.00 0.02 0.00 0.00 55.97 57.96 2k6y s LYS 57 Cb -0.15 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 2k6y s LYS 57 CO 0.20 -0.57 -0.10 0.08 -0.92 0.00 0.00 175.35 174.04 2k6y s VAL 58 N 2.99 3.40 0.01 3.17 1.01 0.52 -4.94 120.40 126.56 2k6y s VAL 58 Ca 0.46 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2k6y s VAL 58 Cb -0.16 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 2k6y s VAL 58 CO 0.09 0.17 -0.08 -0.04 0.00 0.00 0.00 175.10 175.25 2k6y s MET 59 N -2.04 0.58 0.02 2.72 -1.94 -1.26 -0.70 119.30 116.68 2k6y s MET 59 Ca 0.20 -0.37 -0.20 0.00 -1.71 0.00 0.00 55.69 53.61 2k6y s MET 59 Cb -0.11 -0.53 0.07 0.00 2.01 0.00 0.00 34.83 36.27 2k6y s MET 59 CO 0.12 0.14 0.94 0.41 -0.01 0.00 0.00 175.02 176.62 2k6y n GLY 60 N 2.60 0.42 3.78 -0.03 0.00 -1.18 -5.01 105.19 105.77 2k6y n GLY 60 Ca -0.15 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 2k6y n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k6y s MET 61 N -2.02 2.77 -0.04 1.61 -1.94 -1.26 -1.15 119.30 117.27 2k6y s MET 61 Ca 0.22 -1.11 -0.29 0.00 -1.71 0.00 0.00 55.69 52.80 2k6y s MET 61 Cb -0.01 -2.48 0.10 0.00 2.01 0.00 0.00 34.83 34.45 2k6y s MET 61 CO 0.01 0.41 0.86 -0.98 -0.01 0.00 0.00 175.02 175.31 2k6y s ARG 62 N -3.68 0.83 0.55 2.03 1.70 -1.05 -4.99 118.95 114.35 2k6y s ARG 62 Ca 0.32 -0.10 -0.20 0.00 -0.47 0.00 0.00 55.73 55.29 2k6y s ARG 62 Cb -0.08 0.39 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 2k6y s ARG 62 CO 0.23 -0.32 1.18 -1.25 -1.08 0.00 0.00 175.30 174.06 2k6y s PRO 63 N -2.27 3.24 0.25 3.89 0.05 -1.26 -0.65 135.00 138.25 2k6y s PRO 63 Ca 0.00 1.75 0.10 0.00 0.05 0.00 0.00 61.00 62.90 2k6y s PRO 63 Cb -0.01 -2.04 -0.04 0.00 0.05 0.00 0.00 34.50 32.46 2k6y s PRO 63 CO -0.03 -0.97 -0.05 0.14 0.05 0.00 0.00 177.00 176.13 2k6y s VAL 64 N -1.64 3.26 0.06 -0.36 -7.23 -0.29 -4.76 120.40 109.44 2k6y s VAL 64 Ca 0.74 -1.92 0.33 0.00 -1.81 0.00 0.00 61.98 59.32 2k6y s VAL 64 Cb -0.28 -2.71 0.38 0.00 0.56 0.00 0.00 36.38 34.33 2k6y s VAL 64 CO 0.31 -0.31 1.97 1.55 -0.31 0.00 0.00 175.10 178.31 2k6y h PRO 65 N 2.18 0.00 0.00 4.82 0.13 -1.97 -3.44 132.00 133.73 2k6y h PRO 65 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k6y h PRO 65 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k6y h PRO 65 CO 0.59 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.33 2k6y n PHE 66 N -2.99 0.00 -4.37 1.56 1.16 -1.26 -4.85 117.46 106.71 2k6y n PHE 66 Ca 0.01 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.32 2k6y n PHE 66 Cb 0.28 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.07 2k6y n PHE 66 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2k6y s LEU 67 N 0.00 2.90 0.20 5.98 1.43 0.39 -5.01 118.68 124.56 2k6y s LEU 67 Ca 0.00 -1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 51.66 2k6y s LEU 67 Cb 0.00 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 45.11 2k6y s LEU 67 CO 0.00 -0.59 0.51 -1.83 0.23 0.00 0.00 176.35 174.67 2k6y s GLU 68 N -3.86 1.38 -0.08 1.70 -1.05 -1.26 -0.38 118.70 115.15 2k6y s GLU 68 Ca 0.34 -0.89 -0.04 0.00 -0.15 0.00 0.00 54.97 54.23 2k6y s GLU 68 Cb 0.05 0.51 0.04 0.00 -0.44 0.00 0.00 34.13 34.30 2k6y s GLU 68 CO 0.18 -0.58 0.18 0.08 0.95 0.00 0.00 175.26 176.07 2k6y s VAL 69 N -3.88 -0.08 0.90 1.83 1.01 0.60 -4.95 120.40 115.83 2k6y s VAL 69 Ca 0.10 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 2k6y s VAL 69 Cb -0.01 -0.29 0.13 0.00 0.00 0.00 0.00 36.38 36.22 2k6y s VAL 69 CO -0.02 0.08 1.09 -2.16 0.00 0.00 0.00 175.10 174.09 2k6y s PRO 70 N 1.35 1.19 0.33 2.72 0.04 -1.26 -0.72 135.00 138.66 2k6y s PRO 70 Ca -0.08 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.56 2k6y s PRO 70 Cb -0.11 -1.80 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 2k6y s PRO 70 CO -0.07 -2.30 1.48 -0.35 0.04 0.00 0.00 177.00 175.80 2k6y n PRO 71 N -3.93 2.54 -0.69 0.56 -0.04 -1.26 -1.91 135.00 130.27 2k6y n PRO 71 Ca 0.07 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.43 2k6y n PRO 71 Cb 0.55 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 2k6y n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k6y n LYS 72 N 1.14 -0.13 -2.26 0.54 4.76 -0.55 -4.96 118.16 116.71 2k6y n LYS 72 Ca 0.05 0.03 -0.23 0.00 -2.87 0.00 0.00 58.31 55.29 2k6y n LYS 72 Cb 0.37 -3.92 0.13 0.00 -1.84 0.00 0.00 35.03 29.78 2k6y n LYS 72 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k6y n GLY 73 N -1.84 0.11 3.42 0.72 0.00 -0.80 -4.81 105.19 101.99 2k6y n GLY 73 Ca 0.00 -1.94 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 2k6y n GLY 73 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k6y s ARG 74 N -5.12 0.85 0.16 1.61 3.52 -1.26 -0.92 118.95 117.78 2k6y s ARG 74 Ca 0.64 0.23 -0.01 0.00 -0.13 0.00 0.00 55.73 56.46 2k6y s ARG 74 Cb -0.03 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.72 2k6y s ARG 74 CO 0.43 -0.23 0.09 0.14 -0.81 0.00 0.00 175.30 174.92 2k6y s VAL 75 N -0.91 0.06 -0.05 7.11 -7.23 0.24 -4.97 120.40 114.64 2k6y s VAL 75 Ca -0.09 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.14 2k6y s VAL 75 Cb -0.03 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.70 2k6y s VAL 75 CO 0.06 -0.27 -0.06 -1.83 -0.31 0.00 0.00 175.10 172.69 2k6y s GLU 76 N -4.10 1.04 -1.16 4.82 4.04 -1.26 -1.28 118.70 120.81 2k6y s GLU 76 Ca 0.30 -0.18 -0.18 0.00 0.04 0.00 0.00 54.97 54.96 2k6y s GLU 76 Cb 0.07 -0.99 -0.04 0.00 0.02 0.00 0.00 34.13 33.19 2k6y s GLU 76 CO 0.06 -0.06 2.04 1.28 -1.84 0.00 0.00 175.26 176.74 2k6y n LEU 77 N 4.02 5.29 -4.77 1.83 4.32 0.27 -4.69 117.00 123.27 2k6y n LEU 77 Ca -0.24 -3.56 -0.40 0.00 -0.02 0.00 0.00 56.01 51.79 2k6y n LEU 77 Cb 0.51 -1.47 -0.02 0.00 -1.62 0.00 0.00 43.42 40.82 2k6y n LEU 77 CO 0.23 0.20 0.93 -1.59 -1.22 0.00 0.00 177.39 175.95 2k6y s LYS 78 N 4.27 4.34 0.39 3.23 -2.85 -1.02 -4.04 119.74 124.05 2k6y s LYS 78 Ca 0.53 2.11 0.09 0.00 -1.00 0.00 0.00 55.97 57.71 2k6y s LYS 78 Cb 0.12 -3.03 0.80 0.00 -2.06 0.00 0.00 37.83 33.66 2k6y s LYS 78 CO 0.03 -0.16 1.94 -1.00 0.10 0.00 0.00 175.35 176.25 2k6y h PRO 79 N 3.32 0.28 -2.14 1.78 0.13 -1.93 -0.87 132.00 132.57 2k6y h PRO 79 Ca -0.49 -0.06 -0.33 0.00 -0.87 0.00 0.00 66.00 64.26 2k6y h PRO 79 Cb 1.23 -0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 2k6y h PRO 79 CO 0.65 0.37 0.37 0.41 -0.23 0.00 0.00 178.00 179.57 2k6y n GLY 80 N -0.96 3.49 0.00 1.56 0.00 -1.26 -4.82 105.19 103.20 2k6y n GLY 80 Ca -0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 2.29 -0.69 3.77 -0.02 0.00 -0.35 -4.86 105.19 105.34 2k6y n GLY 81 Ca 0.49 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 2k6y n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6y s TYR 82 N -2.77 3.21 0.09 1.61 1.51 -1.09 -1.17 117.35 118.75 2k6y s TYR 82 Ca 0.00 1.61 -0.26 0.00 -1.01 0.00 0.00 57.07 57.41 2k6y s TYR 82 Cb 0.00 -3.26 0.09 0.00 -0.11 0.00 0.00 41.96 38.68 2k6y s TYR 82 CO 0.00 -0.92 1.12 -3.38 -1.11 0.00 0.00 175.55 171.26 2k6y s HIS 83 N -1.50 -0.02 -0.18 2.71 -3.43 -0.20 -2.43 115.29 110.24 2k6y s HIS 83 Ca 0.56 -0.23 -0.08 0.00 -0.80 0.00 0.00 55.06 54.50 2k6y s HIS 83 Cb -0.27 0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 31.46 2k6y s HIS 83 CO 0.34 -0.63 0.10 -0.06 -2.00 0.00 0.00 174.74 172.49 2k6y s PHE 84 N -2.51 3.37 0.08 0.38 0.08 -0.34 -0.69 117.98 118.35 2k6y s PHE 84 Ca 0.18 0.26 -0.16 0.00 0.12 0.00 0.00 56.93 57.33 2k6y s PHE 84 Cb 0.00 -2.08 -0.06 0.00 -0.57 0.00 0.00 43.02 40.30 2k6y s PHE 84 CO 0.01 0.31 0.52 -1.64 -0.10 0.00 0.00 175.22 174.32 2k6y s MET 85 N 0.11 4.05 0.00 0.44 -1.94 -0.17 -2.03 119.30 119.76 2k6y s MET 85 Ca 0.07 0.56 0.07 0.00 -1.71 0.00 0.00 55.69 54.69 2k6y s MET 85 Cb -0.12 -3.13 -0.02 0.00 2.01 0.00 0.00 34.83 33.57 2k6y s MET 85 CO -0.00 0.60 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.87 2k6y s LEU 86 N -1.39 2.09 -0.06 -0.03 1.43 -0.37 -1.55 118.68 118.80 2k6y s LEU 86 Ca 0.30 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 2k6y s LEU 86 Cb -0.17 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 44.91 2k6y s LEU 86 CO 0.18 0.26 0.25 -0.76 0.23 0.00 0.00 176.35 176.50 2k6y s LEU 87 N -0.77 1.06 -0.34 1.79 1.43 0.21 -1.54 118.68 120.52 2k6y s LEU 87 Ca 0.09 0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2k6y s LEU 87 Cb -0.09 0.96 0.01 0.00 0.03 0.00 0.00 46.19 47.09 2k6y s LEU 87 CO 0.00 -0.24 0.38 0.61 0.23 0.00 0.00 176.35 177.33 2k6y n GLY 88 N 2.22 -0.94 3.56 -3.19 0.00 0.09 -0.84 105.19 106.08 2k6y n GLY 88 Ca -0.17 0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.56 3.27 0.00 0.99 1.43 -1.22 -0.74 118.68 119.85 2k6y s LEU 89 Ca 0.07 0.02 0.30 0.00 -1.03 0.00 0.00 54.13 53.49 2k6y s LEU 89 Cb -0.02 -2.68 1.55 0.00 0.03 0.00 0.00 46.19 45.07 2k6y s LEU 89 CO 0.44 -1.99 2.05 2.29 0.23 0.00 0.00 176.35 179.37 2k6y n LYS 90 N 9.13 0.51 -4.70 1.70 2.85 -1.13 -4.58 118.16 121.94 2k6y n LYS 90 Ca 0.12 0.01 -0.24 0.00 -1.05 0.00 0.00 58.31 57.14 2k6y n LYS 90 Cb 0.50 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.23 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 -2.47 1.34 0.59 -1.58 0.52 -1.26 -5.00 118.95 111.09 2k6y s ARG 91 Ca 0.31 -0.75 -0.18 0.00 -0.52 0.00 0.00 55.73 54.59 2k6y s ARG 91 Cb 0.20 -1.36 -0.04 0.00 0.52 0.00 0.00 34.95 34.28 2k6y s ARG 91 CO 0.43 0.36 1.13 -1.25 0.02 0.00 0.00 175.30 176.00 2k6y s PRO 92 N -0.78 3.12 -0.08 3.54 0.04 -1.26 -4.95 135.00 134.64 2k6y s PRO 92 Ca 0.06 1.57 0.05 0.00 0.04 0.00 0.00 61.00 62.72 2k6y s PRO 92 Cb -0.08 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 2k6y s PRO 92 CO 0.00 -1.03 -0.23 -0.51 0.04 0.00 0.00 177.00 175.28 2k6y s LEU 93 N -4.17 2.05 -0.14 -3.56 1.43 -1.26 -5.12 118.68 107.91 2k6y s LEU 93 Ca 0.71 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2k6y s LEU 93 Cb -0.24 -1.34 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 2k6y s LEU 93 CO 0.32 0.18 -0.17 -0.75 0.23 0.00 0.00 176.35 176.17 2k6y s LYS 94 N 0.18 3.23 0.67 1.70 2.36 -1.26 -4.99 119.74 121.63 2k6y s LYS 94 Ca -0.13 -0.76 -0.17 0.00 -2.55 0.00 0.00 55.97 52.36 2k6y s LYS 94 Cb -0.16 -2.56 -0.02 0.00 -1.05 0.00 0.00 37.83 34.04 2k6y s LYS 94 CO 0.07 0.11 0.98 0.00 1.55 0.00 0.00 175.35 178.05 2k6y n ALA 95 N 3.79 0.01 -3.18 3.13 0.00 -1.26 -3.61 120.51 119.39 2k6y n ALA 95 Ca -0.19 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 52.99 2k6y n ALA 95 Cb 0.52 -2.12 0.05 0.00 0.00 0.00 0.00 19.45 17.90 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 1.19 -0.12 0.00 0.00 0.00 -0.95 -5.05 105.19 100.26 2k6y n GLY 96 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2k6y n GLY 96 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k6y n GLU 97 N -3.57 2.51 -4.35 1.61 0.28 -1.24 -4.98 120.64 110.91 2k6y n GLU 97 Ca -0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.80 2k6y n GLU 97 Cb 0.55 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.32 2k6y n GLU 97 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2k6y s GLU 98 N -0.83 1.33 -0.26 3.44 2.02 -1.26 0.01 118.70 123.14 2k6y s GLU 98 Ca 0.00 -1.56 -0.05 0.00 0.02 0.00 0.00 54.97 53.38 2k6y s GLU 98 Cb 0.00 -1.18 0.00 0.00 0.10 0.00 0.00 34.13 33.06 2k6y s GLU 98 CO 0.00 0.21 0.02 0.08 0.02 0.00 0.00 175.26 175.59 2k6y s VAL 99 N -2.78 3.66 0.19 2.63 1.01 0.95 -4.83 120.40 121.22 2k6y s VAL 99 Ca 0.21 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2k6y s VAL 99 Cb -0.02 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 2k6y s VAL 99 CO 0.07 0.20 1.26 -0.70 0.00 0.00 0.00 175.10 175.94 2k6y s GLU 100 N 1.47 4.43 -0.11 2.72 -6.30 -1.26 -1.64 118.70 118.01 2k6y s GLU 100 Ca 0.03 1.98 -0.06 0.00 -2.50 0.00 0.00 54.97 54.42 2k6y s GLU 100 Cb -0.16 -3.22 0.05 0.00 0.00 0.00 0.00 34.13 30.80 2k6y s GLU 100 CO -0.00 -0.19 0.26 -0.51 0.02 0.00 0.00 175.26 174.84 2k6y s LEU 101 N -0.11 0.31 -0.49 2.70 1.43 -0.23 -4.04 118.68 118.26 2k6y s LEU 101 Ca 0.55 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.11 2k6y s LEU 101 Cb -0.35 0.78 0.12 0.00 0.03 0.00 0.00 46.19 46.78 2k6y s LEU 101 CO 0.37 -0.17 0.38 -1.81 0.23 0.00 0.00 176.35 175.35 2k6y s ASP 102 N 1.36 5.81 -0.21 2.29 1.01 0.40 -0.09 116.67 127.25 2k6y s ASP 102 Ca -0.09 -1.91 -0.29 0.00 0.71 0.00 0.00 52.55 50.97 2k6y s ASP 102 Cb -0.10 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 2k6y s ASP 102 CO -0.09 -0.72 1.45 -0.76 0.21 0.00 0.00 175.17 175.25 2k6y s LEU 103 N 1.38 4.00 -0.07 1.23 1.43 -0.48 -1.09 118.68 125.08 2k6y s LEU 103 Ca 0.05 1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 54.54 2k6y s LEU 103 Cb -0.27 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 2k6y s LEU 103 CO -0.00 -1.06 0.58 -0.76 0.23 0.00 0.00 176.35 175.34 2k6y s LEU 104 N 4.44 4.33 0.19 1.79 1.43 -0.04 -1.08 118.68 129.74 2k6y s LEU 104 Ca 0.63 1.03 0.10 0.00 -1.03 0.00 0.00 54.13 54.86 2k6y s LEU 104 Cb -0.23 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 2k6y s LEU 104 CO 0.24 -0.00 -0.20 -0.36 0.23 0.00 0.00 176.35 176.25 2k6y s PHE 105 N 0.43 2.04 0.02 0.29 0.08 -0.62 0.01 117.98 120.23 2k6y s PHE 105 Ca 0.31 -0.42 -0.30 0.00 0.12 0.00 0.00 56.93 56.64 2k6y s PHE 105 Cb -0.17 -1.00 -0.08 0.00 -0.57 0.00 0.00 43.02 41.21 2k6y s PHE 105 CO 0.15 0.44 1.83 0.00 -0.10 0.00 0.00 175.22 177.53 2k6y s ALA 106 N -2.00 3.62 0.00 5.36 0.00 -0.04 -4.12 121.76 124.58 2k6y s ALA 106 Ca 0.19 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2k6y s ALA 106 Cb -0.06 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2k6y s ALA 106 CO 0.09 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.82 2k6y n GLY 107 N 4.33 -1.16 2.08 0.00 0.00 -1.26 -4.59 105.19 104.59 2k6y n GLY 107 Ca 0.18 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 2k6y n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6y n GLY 108 N 0.00 3.06 3.18 -0.02 0.00 -1.26 -4.83 105.19 105.32 2k6y n GLY 108 Ca 0.00 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 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 1.32 1.73 -0.08 1.61 3.01 -1.26 -5.10 119.74 120.97 2k6y s LYS 109 Ca 0.63 -0.68 -0.06 0.00 -1.01 0.00 0.00 55.97 54.85 2k6y s LYS 109 Cb 0.28 -1.58 0.03 0.00 -1.01 0.00 0.00 37.83 35.54 2k6y s LYS 109 CO -0.01 0.35 0.21 0.54 0.51 0.00 0.00 175.35 176.94 2k6y s VAL 110 N -0.24 -0.01 -0.22 3.17 0.11 -1.26 -1.58 120.40 120.36 2k6y s VAL 110 Ca 0.02 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2k6y s VAL 110 Cb -0.10 -0.30 0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2k6y s VAL 110 CO 0.01 0.02 -0.15 -0.76 -3.33 0.00 0.00 175.10 170.89 2k6y s LEU 111 N 0.47 2.80 0.09 2.54 1.43 -0.24 -4.94 118.68 120.82 2k6y s LEU 111 Ca -0.03 -1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 51.76 2k6y s LEU 111 Cb -0.04 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 2k6y s LEU 111 CO -0.02 -0.10 1.00 -0.75 0.23 0.00 0.00 176.35 176.71 2k6y s LYS 112 N 1.20 4.64 0.28 1.70 2.20 -1.26 -1.38 119.74 127.12 2k6y s LYS 112 Ca -0.02 1.50 0.02 0.00 -0.36 0.00 0.00 55.97 57.11 2k6y s LYS 112 Cb -0.16 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 2k6y s LYS 112 CO -0.09 0.11 0.10 0.14 -0.36 0.00 0.00 175.35 175.25 2k6y s VAL 113 N 0.28 0.63 -0.02 4.02 -7.23 0.87 -4.98 120.40 113.97 2k6y s VAL 113 Ca 0.49 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2k6y s VAL 113 Cb -0.24 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.08 2k6y s VAL 113 CO 0.30 0.00 0.02 0.54 -0.31 0.00 0.00 175.10 175.65 2k6y s VAL 114 N -3.65 -0.04 -0.03 1.32 0.11 -1.26 -1.07 120.40 115.78 2k6y s VAL 114 Ca 0.37 0.16 -0.05 0.00 -2.93 0.00 0.00 61.98 59.53 2k6y s VAL 114 Cb 0.08 -0.07 0.01 0.00 -1.53 0.00 0.00 36.38 34.86 2k6y s VAL 114 CO 0.14 0.07 0.12 -0.76 -3.33 0.00 0.00 175.10 171.34 2k6y s LEU 115 N 0.81 1.59 0.57 2.54 1.43 -0.65 -4.97 118.68 120.00 2k6y s LEU 115 Ca -0.07 0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 2k6y s LEU 115 Cb -0.10 0.48 -0.04 0.00 0.03 0.00 0.00 46.19 46.56 2k6y s LEU 115 CO -0.02 -0.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.32 2k6y s PRO 116 N -0.53 3.30 -0.53 1.29 0.04 -1.26 -0.04 135.00 137.28 2k6y s PRO 116 Ca -0.06 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 2k6y s PRO 116 Cb -0.04 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2k6y s PRO 116 CO 0.00 -0.85 1.02 0.08 0.04 0.00 0.00 177.00 177.30 2k6y s VAL 117 N -2.12 4.29 0.16 -0.36 1.01 0.10 -0.98 120.40 122.51 2k6y s VAL 117 Ca 0.68 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 2k6y s VAL 117 Cb -0.20 -4.57 -0.07 0.00 0.00 0.00 0.00 36.38 31.54 2k6y s VAL 117 CO 0.31 -1.09 0.96 -0.70 0.00 0.00 0.00 175.10 174.58 2k6y s GLU 118 N 4.22 4.76 -0.12 2.72 2.12 0.18 -2.24 118.70 130.33 2k6y s GLU 118 Ca 0.37 1.47 -0.04 0.00 0.36 0.00 0.00 54.97 57.13 2k6y s GLU 118 Cb -0.10 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 2k6y s GLU 118 CO 0.24 0.32 0.02 0.00 -0.54 0.00 0.00 175.26 175.31 2k6y s ALA 119 N -0.43 3.32 0.00 6.30 0.00 -1.26 -0.85 121.76 128.85 2k6y s ALA 119 Ca 0.45 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2k6y s ALA 119 Cb -0.24 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2k6y s ALA 119 CO 0.31 0.43 0.00 -2.13 0.00 0.00 0.00 175.76 174.36