#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7c s ARG 4 N 0.00 0.84 0.23 6.28 6.06 -1.26 -5.15 118.95 125.95 2c7c s ARG 4 Ca 0.00 -0.54 -0.31 0.00 -2.50 0.00 0.00 55.73 52.38 2c7c s ARG 4 Cb 0.00 -0.08 -0.11 0.00 0.06 0.00 0.00 34.95 34.81 2c7c s ARG 4 CO 0.00 -1.22 1.61 -1.25 -2.50 0.00 0.00 175.30 171.94 2c7c s PRO 5 N 1.57 4.16 -1.12 5.12 0.04 -1.26 -4.93 135.00 138.58 2c7c s PRO 5 Ca 0.19 2.50 -0.07 0.00 0.04 0.00 0.00 61.00 63.66 2c7c s PRO 5 Cb -0.05 -3.08 0.28 0.00 0.04 0.00 0.00 34.50 31.69 2c7c s PRO 5 CO -0.06 -0.64 1.35 -0.11 0.04 0.00 0.00 177.00 177.58 2c7c n LEU 6 N 3.21 6.01 -1.58 -3.56 -0.00 -1.26 -3.85 117.00 115.97 2c7c n LEU 6 Ca 0.12 -5.07 0.00 0.00 -0.00 0.00 0.00 56.01 51.06 2c7c n LEU 6 Cb 0.37 -1.39 0.00 0.00 -0.00 0.00 0.00 43.42 42.40 2c7c n LEU 6 CO 0.63 1.48 -0.36 0.00 -0.00 0.00 0.00 177.39 179.14 2c7c n HIS 7 N 2.26 -3.49 0.00 1.96 1.44 -1.26 -4.62 115.22 111.51 2c7c n HIS 7 Ca 0.27 1.86 0.00 0.00 -2.01 0.00 0.00 57.72 57.83 2c7c n HIS 7 Cb 0.36 -2.85 0.00 0.00 0.12 0.00 0.00 29.99 27.62 2c7c n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2c7c n ASP 8 N -0.73 0.00 -4.81 4.39 2.03 0.09 -4.92 116.55 112.60 2c7c n ASP 8 Ca 0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 2c7c n ASP 8 Cb 0.00 -0.69 -0.03 0.00 -0.72 0.00 0.00 41.12 39.69 2c7c n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2c7c s ARG 9 N 0.00 3.73 0.01 -0.67 1.81 -1.26 -2.92 118.95 119.65 2c7c s ARG 9 Ca 0.00 1.22 0.04 0.00 -1.72 0.00 0.00 55.73 55.27 2c7c s ARG 9 Cb 0.00 -2.09 -0.01 0.00 -0.45 0.00 0.00 34.95 32.39 2c7c s ARG 9 CO 0.00 -0.47 -0.12 0.08 -0.68 0.00 0.00 175.30 174.11 2c7c s VAL 10 N -2.24 0.98 -0.15 3.52 1.01 0.97 -1.14 120.40 123.34 2c7c s VAL 10 Ca 0.64 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 2c7c s VAL 10 Cb -0.14 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 2c7c s VAL 10 CO 0.26 0.16 -0.13 -0.63 0.00 0.00 0.00 175.10 174.76 2c7c s ILE 11 N -0.49 2.94 0.07 2.22 1.01 0.32 -1.58 121.20 125.69 2c7c s ILE 11 Ca 0.03 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.01 2c7c s ILE 11 Cb -0.06 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 2c7c s ILE 11 CO 0.00 0.51 -0.05 0.68 0.00 0.00 0.00 174.94 176.08 2c7c s VAL 12 N 0.68 0.48 -0.13 2.92 -7.23 -0.12 -0.64 120.40 116.36 2c7c s VAL 12 Ca -0.06 -1.78 -0.18 0.00 -1.81 0.00 0.00 61.98 58.14 2c7c s VAL 12 Cb -0.15 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 2c7c s VAL 12 CO 0.02 -0.87 0.45 -1.59 -0.31 0.00 0.00 175.10 172.80 2c7c s LYS 13 N -3.61 4.32 0.23 4.82 -2.85 -0.05 -0.44 119.74 122.16 2c7c s LYS 13 Ca 0.07 0.40 -0.30 0.00 -1.00 0.00 0.00 55.97 55.14 2c7c s LYS 13 Cb 0.05 -3.44 -0.09 0.00 -2.06 0.00 0.00 37.83 32.28 2c7c s LYS 13 CO -0.06 0.15 1.33 0.50 0.10 0.00 0.00 175.35 177.37 2c7c s ARG 14 N 0.66 4.36 1.09 1.78 3.52 -1.26 -0.97 118.95 128.12 2c7c s ARG 14 Ca 0.25 2.13 -0.18 0.00 -0.13 0.00 0.00 55.73 57.79 2c7c s ARG 14 Cb -0.15 -3.16 0.25 0.00 -1.56 0.00 0.00 34.95 30.33 2c7c s ARG 14 CO 0.09 -0.27 1.24 0.15 -0.81 0.00 0.00 175.30 175.70 2c7c s LYS 15 N -0.44 -0.34 0.36 5.12 1.02 -0.73 -4.93 119.74 119.80 2c7c s LYS 15 Ca 0.56 -0.32 -0.26 0.00 0.02 0.00 0.00 55.97 55.98 2c7c s LYS 15 Cb -0.38 -1.72 -0.12 0.00 -0.52 0.00 0.00 37.83 35.08 2c7c s LYS 15 CO 0.41 -3.08 0.97 0.39 -0.92 0.00 0.00 175.35 173.12 2c7c n GLU 16 N -4.26 1.29 -2.65 1.68 -0.58 -1.26 -4.82 120.64 110.03 2c7c n GLU 16 Ca 0.15 0.46 -0.43 0.00 -0.42 0.00 0.00 57.16 56.92 2c7c n GLU 16 Cb 0.59 -1.91 -0.02 0.00 -0.57 0.00 0.00 31.44 29.53 2c7c n GLU 16 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2c7c s VAL 17 N -1.20 4.31 0.14 2.62 1.01 -1.26 -4.67 120.40 121.35 2c7c s VAL 17 Ca 0.61 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.81 2c7c s VAL 17 Cb -0.62 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.22 2c7c s VAL 17 CO 0.58 -0.88 0.00 -0.62 0.00 0.00 0.00 175.10 174.18 2c7c n GLU 18 N 7.54 -4.95 -2.25 2.72 1.02 -0.38 -4.82 120.64 119.51 2c7c n GLU 18 Ca 0.11 3.58 -0.33 0.00 -0.02 0.00 0.00 57.16 60.50 2c7c n GLU 18 Cb 0.49 -3.96 -0.04 0.00 -0.02 0.00 0.00 31.44 27.90 2c7c n GLU 18 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2c7c s THR 19 N -0.48 3.66 -2.00 2.62 2.01 -1.26 -4.83 115.64 115.35 2c7c s THR 19 Ca 0.00 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.33 2c7c s THR 19 Cb 0.00 -4.49 0.00 0.00 0.01 0.00 0.00 72.50 68.02 2c7c s THR 19 CO 0.00 -1.35 0.30 0.29 -0.69 0.00 0.00 174.62 173.17 2c7c n LYS 20 N 8.77 0.29 -0.08 4.92 5.02 -1.26 -1.65 118.16 134.16 2c7c n LYS 20 Ca 0.39 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.70 2c7c n LYS 20 Cb 0.48 -1.00 0.03 0.00 -0.02 0.00 0.00 35.03 34.52 2c7c n LYS 20 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2c7c n SER 21 N -0.50 1.38 0.00 4.39 3.41 -1.26 -0.83 113.62 120.21 2c7c n SER 21 Ca 0.00 -2.05 0.01 0.00 -0.26 0.00 0.00 58.87 56.57 2c7c n SER 21 Cb 0.00 -0.13 0.03 0.00 -0.26 0.00 0.00 64.21 63.85 2c7c n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c7c n ALA 22 N -0.55 1.74 0.12 7.33 0.00 -0.66 -1.26 120.51 127.23 2c7c n ALA 22 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 2c7c n ALA 22 Cb 0.46 -1.02 0.13 0.00 0.00 0.00 0.00 19.45 19.02 2c7c n ALA 22 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2c7c h GLY 23 N 1.39 0.00 0.00 0.00 0.00 -1.85 -3.50 103.07 99.11 2c7c h GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2c7c h GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2c7c n GLY 24 N 0.42 1.50 0.14 4.60 0.00 -0.39 -4.62 105.19 106.83 2c7c n GLY 24 Ca -0.01 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2c7c n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2c7c h ILE 25 N 0.00 1.33 -3.32 -0.61 2.04 -1.97 -3.48 117.51 111.50 2c7c h ILE 25 Ca 0.00 -1.22 -0.52 0.00 1.00 0.00 0.00 64.86 64.11 2c7c h ILE 25 Cb 0.00 1.78 0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2c7c h ILE 25 CO 0.00 0.36 0.64 -0.69 0.00 0.00 0.00 178.15 178.46 2c7c s VAL 26 N -4.44 3.36 0.21 1.67 1.01 -1.26 -5.00 120.40 115.94 2c7c s VAL 26 Ca -0.14 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 2c7c s VAL 26 Cb 0.06 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 2c7c s VAL 26 CO 0.75 0.14 1.14 -0.22 0.00 0.00 0.00 175.10 176.91 2c7c s LEU 27 N 0.17 4.49 0.12 3.92 0.20 -1.26 -3.00 118.68 123.32 2c7c s LEU 27 Ca 0.57 2.19 0.04 0.00 0.69 0.00 0.00 54.13 57.63 2c7c s LEU 27 Cb -0.35 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 41.76 2c7c s LEU 27 CO 0.36 -0.26 -0.11 0.28 -0.29 0.00 0.00 176.35 176.33 2c7c s THR 28 N -0.39 1.11 0.88 3.68 -1.32 -0.01 -4.94 115.64 114.65 2c7c s THR 28 Ca 0.49 -1.82 -0.10 0.00 -1.21 0.00 0.00 61.69 59.05 2c7c s THR 28 Cb -0.31 -1.59 0.18 0.00 -1.51 0.00 0.00 72.50 69.27 2c7c s THR 28 CO 0.37 -0.60 1.21 -0.83 -2.21 0.00 0.00 174.62 172.56 2c7c s GLY 29 N -2.74 1.78 -0.08 6.08 0.00 -1.26 -4.43 107.32 106.67 2c7c s GLY 29 Ca 0.11 -1.45 -0.30 0.00 0.00 0.00 0.00 44.72 43.08 2c7c s GLY 29 CO 0.01 -0.74 1.17 -0.56 0.00 0.00 0.00 173.10 172.99 2c7c s SER 30 N -4.86 7.07 0.00 1.64 0.01 -1.26 -4.77 113.70 111.53 2c7c s SER 30 Ca 0.72 1.74 0.24 0.00 1.31 0.00 0.00 55.95 59.96 2c7c s SER 30 Cb -0.04 -2.55 0.21 0.00 0.21 0.00 0.00 66.02 63.85 2c7c s SER 30 CO 0.50 -0.59 1.24 0.00 0.41 0.00 0.00 173.24 174.80 2c7c n ALA 31 N 5.38 3.15 -2.64 1.44 0.00 -1.26 -4.96 120.51 121.62 2c7c n ALA 31 Ca 0.11 -0.61 -0.04 0.00 0.00 0.00 0.00 53.44 52.90 2c7c n ALA 31 Cb 0.46 -0.86 0.01 0.00 0.00 0.00 0.00 19.45 19.06 2c7c n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7c n ALA 32 N 0.28 -0.21 -1.34 0.00 0.00 -1.26 -5.09 120.51 112.89 2c7c n ALA 32 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2c7c n ALA 32 Cb 0.48 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2c7c n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7c n ALA 33 N -2.80 0.00 -2.00 0.00 0.00 -1.26 -5.16 120.51 109.29 2c7c n ALA 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2c7c n ALA 33 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2c7c n ALA 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2c7c n LYS 34 N 0.00 0.00 -3.64 0.00 3.00 -1.26 -4.98 118.16 111.28 2c7c n LYS 34 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 2c7c n LYS 34 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 2c7c n LYS 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2c7c s SER 35 N 1.52 -0.83 -0.06 3.14 0.15 -1.26 -1.25 113.70 115.10 2c7c s SER 35 Ca 0.00 1.44 0.21 0.00 0.70 0.00 0.00 55.95 58.31 2c7c s SER 35 Cb 0.00 1.38 -0.32 0.00 -1.71 0.00 0.00 66.02 65.37 2c7c s SER 35 CO 0.00 -0.24 0.42 0.35 1.20 0.00 0.00 173.24 174.97 2c7c n THR 36 N 3.59 0.23 -2.77 6.45 -2.24 -1.26 -4.87 114.28 113.41 2c7c n THR 36 Ca -0.17 -0.56 -0.43 0.00 -2.27 0.00 0.00 64.05 60.62 2c7c n THR 36 Cb 0.57 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 2c7c n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2c7c s ARG 37 N -3.35 3.41 -0.15 -0.78 3.00 -1.26 -1.38 118.95 118.45 2c7c s ARG 37 Ca -0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 55.73 55.51 2c7c s ARG 37 Cb 0.13 -4.02 -0.04 0.00 0.00 0.00 0.00 34.95 31.01 2c7c s ARG 37 CO 0.90 -1.49 0.10 0.20 0.00 0.00 0.00 175.30 175.01 2c7c s GLY 38 N 2.78 2.04 -0.27 -3.53 0.00 -0.14 -1.77 107.32 106.43 2c7c s GLY 38 Ca 0.35 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 44.27 2c7c s GLY 38 CO 0.22 -0.18 0.16 1.85 0.00 0.00 0.00 173.10 175.15 2c7c s GLU 39 N -0.38 3.86 0.02 2.90 2.12 -0.15 -0.48 118.70 126.60 2c7c s GLU 39 Ca 0.11 -0.37 -0.30 0.00 0.36 0.00 0.00 54.97 54.76 2c7c s GLU 39 Cb -0.12 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 2c7c s GLU 39 CO 0.01 -0.19 1.11 0.08 -0.54 0.00 0.00 175.26 175.73 2c7c s VAL 40 N 1.72 4.39 -0.20 3.70 1.01 0.35 -0.87 120.40 130.51 2c7c s VAL 40 Ca 0.07 1.72 0.06 0.00 0.00 0.00 0.00 61.98 63.83 2c7c s VAL 40 Cb -0.16 -4.10 -0.16 0.00 0.00 0.00 0.00 36.38 31.96 2c7c s VAL 40 CO 0.09 0.12 -0.11 0.18 0.00 0.00 0.00 175.10 175.38 2c7c n LEU 41 N 4.05 1.98 -3.59 3.92 4.77 0.19 -1.27 117.00 127.04 2c7c n LEU 41 Ca 0.08 -0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 2c7c n LEU 41 Cb 0.48 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2c7c n LEU 41 CO 0.54 0.71 0.62 0.00 -1.33 0.00 0.00 177.39 177.93 2c7c s ALA 42 N -2.42 -1.67 0.02 -1.18 0.00 -0.56 -4.85 121.76 111.09 2c7c s ALA 42 Ca -0.22 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.32 2c7c s ALA 42 Cb 0.07 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 2c7c s ALA 42 CO 0.56 -0.83 -0.13 0.08 0.00 0.00 0.00 175.76 175.44 2c7c s VAL 43 N -3.37 1.00 0.11 0.00 1.01 -1.26 -0.52 120.40 117.36 2c7c s VAL 43 Ca 0.07 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2c7c s VAL 43 Cb -0.02 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.51 2c7c s VAL 43 CO -0.05 0.11 0.11 0.61 0.00 0.00 0.00 175.10 175.88 2c7c n GLY 44 N 2.32 -2.01 0.00 4.51 0.00 -0.29 -4.75 105.19 104.97 2c7c n GLY 44 Ca -0.16 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2c7c n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2c7c n ASN 45 N -3.14 0.00 0.00 1.61 3.02 -1.25 -4.91 115.26 110.59 2c7c n ASN 45 Ca 0.02 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 2c7c n ASN 45 Cb 0.06 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 2c7c n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c7c n GLY 46 N -1.28 -2.28 3.70 7.41 0.00 -1.26 -4.56 105.19 106.91 2c7c n GLY 46 Ca 0.00 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 2c7c n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2c7c s ARG 47 N -0.24 4.23 0.18 1.61 3.52 0.25 -0.74 118.95 127.77 2c7c s ARG 47 Ca 0.00 0.25 0.08 0.00 -0.13 0.00 0.00 55.73 55.92 2c7c s ARG 47 Cb 0.00 -3.49 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 2c7c s ARG 47 CO 0.00 0.07 1.41 0.82 -0.81 0.00 0.00 175.30 176.78 2c7c h ILE 48 N 4.88 1.60 -3.17 4.11 2.04 -1.87 -2.28 117.51 122.82 2c7c h ILE 48 Ca -0.38 -2.88 -0.58 0.00 1.00 0.00 0.00 64.86 62.02 2c7c h ILE 48 Cb 1.17 2.56 0.16 0.00 -0.74 0.00 0.00 36.82 39.97 2c7c h ILE 48 CO 0.74 0.82 -0.11 0.18 0.00 0.00 0.00 178.15 179.78 2c7c n LEU 49 N -3.54 2.12 0.00 1.44 4.77 -1.26 -3.07 117.00 117.45 2c7c n LEU 49 Ca -0.01 0.82 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 2c7c n LEU 49 Cb 0.81 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2c7c n LEU 49 CO 0.45 -2.35 0.00 1.21 -1.33 0.00 0.00 177.39 175.38 2c7c n GLU 50 N -0.35 0.00 0.00 3.23 4.07 -1.26 -4.77 120.64 121.56 2c7c n GLU 50 Ca 0.12 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 2c7c n GLU 50 Cb 0.46 -2.61 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 2c7c n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2c7c n ASN 51 N 0.11 0.00 -4.60 4.31 5.15 -1.18 -4.88 115.26 114.17 2c7c n ASN 51 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 2c7c n ASN 51 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 2c7c n ASN 51 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2c7c s GLY 52 N 0.00 1.63 0.28 8.20 0.00 -1.26 -4.90 107.32 111.27 2c7c s GLY 52 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2c7c s GLY 52 CO 0.00 1.88 0.00 1.18 0.00 0.00 0.00 173.10 176.16 2c7c n GLU 53 N 6.55 -2.23 -3.78 2.90 4.71 -1.26 -4.75 120.64 122.78 2c7c n GLU 53 Ca 0.05 1.53 -0.37 0.00 -0.01 0.00 0.00 57.16 58.36 2c7c n GLU 53 Cb 0.48 -2.70 -0.13 0.00 -1.01 0.00 0.00 31.44 28.08 2c7c n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2c7c s VAL 54 N -2.21 3.90 0.01 2.62 1.01 -1.26 -4.75 120.40 119.71 2c7c s VAL 54 Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2c7c s VAL 54 Cb 0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2c7c s VAL 54 CO 0.00 0.11 0.23 -1.59 0.00 0.00 0.00 175.10 173.86 2c7c s LYS 55 N 1.49 3.51 0.96 2.72 0.00 -0.86 -4.78 119.74 122.79 2c7c s LYS 55 Ca 0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 55.97 55.68 2c7c s LYS 55 Cb -0.17 -3.07 0.17 0.00 0.00 0.00 0.00 37.83 34.76 2c7c s LYS 55 CO 0.02 0.65 1.10 -1.25 0.00 0.00 0.00 175.35 175.87 2c7c s PRO 56 N -1.91 0.72 0.04 1.78 0.04 -1.26 -0.58 135.00 133.82 2c7c s PRO 56 Ca 0.28 0.49 0.06 0.00 0.04 0.00 0.00 61.00 61.88 2c7c s PRO 56 Cb -0.13 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 2c7c s PRO 56 CO 0.18 -2.53 -0.16 -0.51 0.04 0.00 0.00 177.00 174.03 2c7c s LEU 57 N -6.32 2.73 0.00 -3.56 1.43 -1.26 -4.69 118.68 107.01 2c7c s LEU 57 Ca 0.65 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2c7c s LEU 57 Cb -0.17 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2c7c s LEU 57 CO 0.56 0.26 1.68 -0.67 0.23 0.00 0.00 176.35 178.41 2c7c n ASP 58 N 1.51 4.59 -4.77 2.29 4.64 -1.26 -4.79 116.55 118.76 2c7c n ASP 58 Ca -0.16 -2.27 -0.23 0.00 -1.38 0.00 0.00 54.79 50.76 2c7c n ASP 58 Cb 0.52 -0.93 -0.06 0.00 -1.04 0.00 0.00 41.12 39.61 2c7c n ASP 58 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2c7c s VAL 59 N 0.03 3.07 -0.24 5.18 -7.23 -1.26 -5.03 120.40 114.92 2c7c s VAL 59 Ca 0.00 -1.61 -0.12 0.00 -1.81 0.00 0.00 61.98 58.44 2c7c s VAL 59 Cb 0.00 -3.02 0.08 0.00 0.56 0.00 0.00 36.38 34.00 2c7c s VAL 59 CO 0.00 -0.16 0.57 -1.59 -0.31 0.00 0.00 175.10 173.61 2c7c s LYS 60 N -3.89 0.56 0.26 4.82 -2.85 -1.26 -5.09 119.74 112.28 2c7c s LYS 60 Ca 0.39 1.10 -0.30 0.00 -1.00 0.00 0.00 55.97 56.16 2c7c s LYS 60 Cb -0.03 0.19 -0.10 0.00 -2.06 0.00 0.00 37.83 35.83 2c7c s LYS 60 CO 0.24 -0.17 1.37 0.08 0.10 0.00 0.00 175.35 176.97 2c7c s VAL 61 N 1.79 2.83 0.00 1.79 1.01 -1.26 -2.84 120.40 123.72 2c7c s VAL 61 Ca -0.09 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2c7c s VAL 61 Cb -0.07 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2c7c s VAL 61 CO -0.17 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2c7c n GLY 62 N 1.87 2.03 3.97 4.51 0.00 -0.40 -5.00 105.19 112.17 2c7c n GLY 62 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2c7c n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2c7c s ASP 63 N -3.38 4.13 -0.13 1.61 -1.08 -1.13 -4.74 116.67 111.94 2c7c s ASP 63 Ca 0.00 -0.08 0.02 0.00 -0.52 0.00 0.00 52.55 51.97 2c7c s ASP 63 Cb 0.00 -0.27 0.00 0.00 -1.46 0.00 0.00 42.92 41.19 2c7c s ASP 63 CO 0.00 -2.02 -0.20 -0.63 0.52 0.00 0.00 175.17 172.84 2c7c s ILE 64 N -3.33 2.27 0.20 4.11 1.01 -1.26 -0.50 121.20 123.70 2c7c s ILE 64 Ca 0.67 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 60.48 2c7c s ILE 64 Cb -0.06 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 2c7c s ILE 64 CO 0.46 0.54 -0.15 0.68 0.00 0.00 0.00 174.94 176.47 2c7c s VAL 65 N 0.68 1.78 -0.26 2.92 -7.23 0.37 -4.87 120.40 113.79 2c7c s VAL 65 Ca -0.10 -2.18 -0.07 0.00 -1.81 0.00 0.00 61.98 57.82 2c7c s VAL 65 Cb -0.16 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 2c7c s VAL 65 CO 0.02 -0.56 0.06 -0.63 -0.31 0.00 0.00 175.10 173.68 2c7c s ILE 66 N -2.84 4.15 0.29 -0.62 1.01 0.45 -0.96 121.20 122.68 2c7c s ILE 66 Ca 0.22 -0.30 0.10 0.00 0.00 0.00 0.00 60.65 60.67 2c7c s ILE 66 Cb -0.02 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 2c7c s ILE 66 CO 0.07 0.30 -0.09 0.72 0.00 0.00 0.00 174.94 175.94 2c7c s PHE 67 N 1.58 2.48 -0.14 3.97 -0.12 -0.48 -0.45 117.98 124.82 2c7c s PHE 67 Ca 0.06 -0.33 -0.10 0.00 -0.05 0.00 0.00 56.93 56.51 2c7c s PHE 67 Cb -0.15 -1.17 -0.05 0.00 -0.63 0.00 0.00 43.02 41.02 2c7c s PHE 67 CO 0.03 0.63 0.19 1.21 -0.05 0.00 0.00 175.22 177.23 2c7c s ASN 68 N -3.61 6.38 -1.01 1.98 3.04 -0.25 -4.58 114.94 116.91 2c7c s ASN 68 Ca 0.31 0.45 -0.23 0.00 0.04 0.00 0.00 52.86 53.43 2c7c s ASN 68 Cb -0.04 -2.11 0.01 0.00 -1.54 0.00 0.00 41.25 37.57 2c7c s ASN 68 CO 0.17 0.27 1.67 -0.62 -3.04 0.00 0.00 177.10 175.56 2c7c s ASP 69 N -0.32 5.97 0.00 -4.21 -1.08 -1.26 -4.87 116.67 110.90 2c7c s ASP 69 Ca 0.14 -1.25 0.00 0.00 -0.52 0.00 0.00 52.55 50.91 2c7c s ASP 69 Cb -0.12 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2c7c s ASP 69 CO 0.03 -2.00 0.00 0.61 0.52 0.00 0.00 175.17 174.33 2c7c n GLY 70 N 6.72 6.36 0.09 2.66 0.00 -1.26 -5.09 105.19 114.67 2c7c n GLY 70 Ca 0.37 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.76 2c7c n GLY 70 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2c7c n TYR 71 N 0.00 0.77 -0.03 1.61 9.36 -1.26 -4.11 117.16 123.50 2c7c n TYR 71 Ca 0.00 0.22 -0.14 0.00 3.32 0.00 0.00 57.90 61.31 2c7c n TYR 71 Cb 0.00 -0.82 -0.10 0.00 -0.63 0.00 0.00 39.34 37.79 2c7c n TYR 71 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2c7c h GLY 72 N 4.16 0.11 -6.87 2.98 0.00 -1.96 -3.44 103.07 98.05 2c7c h GLY 72 Ca 0.00 -0.14 -0.82 0.00 0.00 0.00 0.00 47.33 46.37 2c7c h GLY 72 CO 0.00 0.12 0.88 -0.62 0.00 0.00 0.00 176.54 176.93 2c7c n VAL 73 N -4.69 0.07 -3.81 4.60 0.31 -1.26 -4.60 118.33 108.94 2c7c n VAL 73 Ca -0.09 -0.02 -0.23 0.00 -0.01 0.00 0.00 64.34 64.00 2c7c n VAL 73 Cb 0.36 -0.69 -0.05 0.00 -0.91 0.00 0.00 33.84 32.55 2c7c n VAL 73 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2c7c s LYS 74 N 3.82 2.39 0.27 5.55 -0.14 0.07 -4.93 119.74 126.77 2c7c s LYS 74 Ca 1.07 -1.68 0.05 0.00 -1.36 0.00 0.00 55.97 54.05 2c7c s LYS 74 Cb -1.39 -2.20 -0.06 0.00 -1.68 0.00 0.00 37.83 32.51 2c7c s LYS 74 CO 0.74 -0.17 -0.03 0.45 -0.76 0.00 0.00 175.35 175.58 2c7c s SER 75 N -4.04 2.41 0.08 2.83 0.15 -1.26 -0.98 113.70 112.88 2c7c s SER 75 Ca 0.45 -1.21 -0.22 0.00 0.70 0.00 0.00 55.95 55.67 2c7c s SER 75 Cb -0.00 -0.10 0.05 0.00 -1.71 0.00 0.00 66.02 64.26 2c7c s SER 75 CO 0.25 -0.42 0.52 -1.61 1.20 0.00 0.00 173.24 173.18 2c7c s GLU 76 N -3.79 1.09 -0.40 5.44 0.41 -0.27 -4.90 118.70 116.29 2c7c s GLU 76 Ca 0.29 -0.35 0.04 0.00 -0.41 0.00 0.00 54.97 54.54 2c7c s GLU 76 Cb 0.05 0.50 0.11 0.00 -1.78 0.00 0.00 34.13 33.00 2c7c s GLU 76 CO 0.11 -0.42 0.12 0.21 -0.49 0.00 0.00 175.26 174.79 2c7c s LYS 77 N -2.91 1.60 -0.47 1.61 2.47 -1.26 -0.64 119.74 120.13 2c7c s LYS 77 Ca -0.03 -2.08 -0.20 0.00 -1.56 0.00 0.00 55.97 52.10 2c7c s LYS 77 Cb -0.00 -3.17 0.04 0.00 -1.46 0.00 0.00 37.83 33.23 2c7c s LYS 77 CO -0.05 -1.00 0.66 0.42 0.16 0.00 0.00 175.35 175.54 2c7c s ILE 78 N 0.55 4.81 0.00 5.43 1.09 0.19 -4.64 121.20 128.63 2c7c s ILE 78 Ca 0.13 -0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.58 2c7c s ILE 78 Cb -0.21 -4.27 0.00 0.00 -1.06 0.00 0.00 42.46 36.92 2c7c s ILE 78 CO -0.06 -0.72 0.00 0.47 -0.10 0.00 0.00 174.94 174.53 2c7c n ASP 79 N 6.34 0.00 -0.07 3.58 8.00 -1.26 -0.47 116.55 132.67 2c7c n ASP 79 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2c7c n ASP 79 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 2c7c n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2c7c n ASN 80 N 1.44 0.00 -4.91 -2.24 2.85 -1.26 -5.17 115.26 105.98 2c7c n ASN 80 Ca 0.00 -0.90 -0.32 0.00 -0.11 0.00 0.00 54.58 53.25 2c7c n ASN 80 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 2c7c n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2c7c s GLU 81 N 0.00 3.48 0.01 1.20 8.01 0.38 -5.04 118.70 126.75 2c7c s GLU 81 Ca 0.00 -0.31 -0.28 0.00 0.01 0.00 0.00 54.97 54.38 2c7c s GLU 81 Cb 0.00 -3.03 -0.04 0.00 -4.31 0.00 0.00 34.13 26.75 2c7c s GLU 81 CO 0.00 0.61 0.91 -1.21 0.01 0.00 0.00 175.26 175.58 2c7c s GLU 82 N -2.28 4.56 -0.11 1.61 0.41 -1.26 -0.64 118.70 120.98 2c7c s GLU 82 Ca 0.33 1.31 0.03 0.00 -0.41 0.00 0.00 54.97 56.23 2c7c s GLU 82 Cb -0.13 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 28.79 2c7c s GLU 82 CO 0.24 0.03 -0.23 0.14 -0.49 0.00 0.00 175.26 174.95 2c7c s VAL 83 N 0.74 2.05 0.07 2.63 -7.23 0.18 -4.76 120.40 114.09 2c7c s VAL 83 Ca 0.48 -1.00 -0.25 0.00 -1.81 0.00 0.00 61.98 59.39 2c7c s VAL 83 Cb -0.21 -1.79 -0.06 0.00 0.56 0.00 0.00 36.38 34.88 2c7c s VAL 83 CO 0.26 0.56 0.77 -0.76 -0.31 0.00 0.00 175.10 175.61 2c7c s LEU 84 N 0.51 4.48 -0.38 1.32 1.02 0.41 -1.12 118.68 124.93 2c7c s LEU 84 Ca -0.15 1.49 0.02 0.00 0.02 0.00 0.00 54.13 55.52 2c7c s LEU 84 Cb -0.17 -3.24 0.11 0.00 0.02 0.00 0.00 46.19 42.91 2c7c s LEU 84 CO 0.05 0.06 0.14 -0.63 0.02 0.00 0.00 176.35 175.99 2c7c s ILE 85 N -0.31 1.77 0.44 -0.59 1.01 -0.16 -0.95 121.20 122.42 2c7c s ILE 85 Ca 0.38 -2.30 0.05 0.00 0.00 0.00 0.00 60.65 58.78 2c7c s ILE 85 Cb -0.21 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.02 2c7c s ILE 85 CO 0.24 -0.71 0.38 1.15 0.00 0.00 0.00 174.94 176.00 2c7c n MET 86 N 4.08 0.82 -3.33 2.79 0.00 -0.61 -0.75 117.12 120.11 2c7c n MET 86 Ca 0.03 -2.66 -0.19 0.00 0.00 0.00 0.00 57.70 54.88 2c7c n MET 86 Cb 0.39 0.20 -0.01 0.00 0.00 0.00 0.00 33.22 33.80 2c7c n MET 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2c7c s SER 87 N -3.60 5.41 0.50 3.17 1.04 -1.26 -0.02 113.70 118.93 2c7c s SER 87 Ca 0.29 -0.54 0.17 0.00 0.48 0.00 0.00 55.95 56.35 2c7c s SER 87 Cb -0.02 -0.69 1.22 0.00 0.10 0.00 0.00 66.02 66.62 2c7c s SER 87 CO 0.18 -0.66 2.08 -0.08 0.98 0.00 0.00 173.24 175.74 2c7c h GLU 88 N 0.86 0.12 0.00 4.02 4.81 -1.87 -2.50 114.58 120.02 2c7c h GLU 88 Ca -0.41 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2c7c h GLU 88 Cb 1.27 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2c7c h GLU 88 CO 0.52 0.08 0.00 0.43 -0.73 0.00 0.00 179.01 179.31 2c7c n SER 89 N -4.48 0.46 0.05 1.04 7.64 -1.26 -0.84 113.62 116.23 2c7c n SER 89 Ca 0.02 0.66 0.12 0.00 1.01 0.00 0.00 58.87 60.69 2c7c n SER 89 Cb 0.25 -0.74 0.26 0.00 -1.01 0.00 0.00 64.21 62.97 2c7c n SER 89 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2c7c n ASP 90 N -2.06 0.62 -4.77 6.43 8.00 -0.94 -4.96 116.55 118.86 2c7c n ASP 90 Ca 0.01 0.16 -0.37 0.00 0.71 0.00 0.00 54.79 55.29 2c7c n ASP 90 Cb 0.12 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.12 2c7c n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2c7c s ILE 91 N -3.11 5.22 -0.25 0.53 1.01 -0.02 -1.08 121.20 123.50 2c7c s ILE 91 Ca 0.09 0.68 -0.06 0.00 0.00 0.00 0.00 60.65 61.35 2c7c s ILE 91 Cb 0.14 -3.67 -0.17 0.00 0.01 0.00 0.00 42.46 38.78 2c7c s ILE 91 CO 0.68 0.46 -0.17 0.18 0.00 0.00 0.00 174.94 176.09 2c7c n LEU 92 N 2.90 2.50 -3.64 2.97 4.77 0.40 -4.93 117.00 121.97 2c7c n LEU 92 Ca -0.12 0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 55.93 2c7c n LEU 92 Cb 0.52 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 40.69 2c7c n LEU 92 CO 0.39 0.75 0.80 0.00 -1.33 0.00 0.00 177.39 178.00 2c7c s ALA 93 N -2.51 -1.85 0.00 -1.18 0.00 -1.04 -5.04 121.76 110.15 2c7c s ALA 93 Ca -0.34 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2c7c s ALA 93 Cb 0.11 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.67 2c7c s ALA 93 CO 0.58 -0.89 0.00 -0.89 0.00 0.00 0.00 175.76 174.56 2c7c n ILE 94 N -0.37 0.00 0.00 0.00 5.41 -1.26 -0.41 119.36 122.73 2c7c n ILE 94 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 2c7c n ILE 94 Cb 0.61 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.54 2c7c n ILE 94 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07