#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 0.50 0.31 6.28 6.06 -1.26 -5.00 118.95 125.83 2c7c s ARG 4 Ca 0.00 1.11 -0.29 0.00 -2.50 0.00 0.00 55.73 54.05 2c7c s ARG 4 Cb 0.00 0.65 -0.10 0.00 0.06 0.00 0.00 34.95 35.56 2c7c s ARG 4 CO 0.00 -0.31 1.22 -1.25 -2.50 0.00 0.00 175.30 172.46 2c7c s PRO 5 N 2.81 4.48 -0.59 5.12 0.04 -1.26 -4.94 135.00 140.66 2c7c s PRO 5 Ca 0.03 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 2c7c s PRO 5 Cb -0.12 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 2c7c s PRO 5 CO -0.19 -0.02 2.89 -0.11 0.04 0.00 0.00 177.00 179.62 2c7c n LEU 6 N 1.02 6.64 -1.79 -3.56 -0.00 -1.26 -3.35 117.00 114.71 2c7c n LEU 6 Ca -0.00 -4.05 0.00 0.00 -0.00 0.00 0.00 56.01 51.96 2c7c n LEU 6 Cb 0.43 -1.31 0.00 0.00 -0.00 0.00 0.00 43.42 42.54 2c7c n LEU 6 CO 0.57 1.81 -0.49 0.00 -0.00 0.00 0.00 177.39 179.28 2c7c n HIS 7 N 1.52 -4.78 0.00 1.96 1.44 -1.26 -4.62 115.22 109.48 2c7c n HIS 7 Ca 0.52 2.53 0.00 0.00 -2.01 0.00 0.00 57.72 58.76 2c7c n HIS 7 Cb 0.55 -3.71 0.00 0.00 0.12 0.00 0.00 29.99 26.95 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 -0.52 0.00 -4.74 4.39 2.03 0.24 -4.91 116.55 113.03 2c7c n ASP 8 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 2c7c n ASP 8 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 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 2.65 -0.01 -0.67 1.81 -1.26 -1.67 118.95 119.80 2c7c s ARG 9 Ca 0.00 1.76 -0.01 0.00 -1.72 0.00 0.00 55.73 55.76 2c7c s ARG 9 Cb 0.00 -1.90 0.01 0.00 -0.45 0.00 0.00 34.95 32.61 2c7c s ARG 9 CO 0.00 -1.44 0.03 0.08 -0.68 0.00 0.00 175.30 173.29 2c7c s VAL 10 N -1.81 -0.01 -0.20 3.52 1.01 0.90 -3.21 120.40 120.61 2c7c s VAL 10 Ca 0.75 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.70 2c7c s VAL 10 Cb -0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2c7c s VAL 10 CO 0.38 0.01 0.04 -0.63 0.00 0.00 0.00 175.10 174.91 2c7c s ILE 11 N 0.19 4.42 0.22 2.22 1.01 0.25 -2.11 121.20 127.39 2c7c s ILE 11 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.49 2c7c s ILE 11 Cb -0.02 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 2c7c s ILE 11 CO -0.01 0.43 0.06 0.68 0.00 0.00 0.00 174.94 176.11 2c7c s VAL 12 N 0.76 0.54 -0.10 2.92 -7.23 0.12 -0.93 120.40 116.50 2c7c s VAL 12 Ca 0.02 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 2c7c s VAL 12 Cb -0.14 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 2c7c s VAL 12 CO 0.02 -0.19 0.26 -1.59 -0.31 0.00 0.00 175.10 173.29 2c7c s LYS 13 N -4.00 3.83 0.29 4.82 -2.85 -0.04 -0.43 119.74 121.36 2c7c s LYS 13 Ca 0.32 0.09 -0.29 0.00 -1.00 0.00 0.00 55.97 55.09 2c7c s LYS 13 Cb 0.07 -3.27 -0.10 0.00 -2.06 0.00 0.00 37.83 32.47 2c7c s LYS 13 CO 0.10 0.59 1.19 0.50 0.10 0.00 0.00 175.35 177.83 2c7c s ARG 14 N -0.59 4.52 0.10 1.78 3.52 -1.26 -0.98 118.95 126.03 2c7c s ARG 14 Ca 0.18 1.97 -0.01 0.00 -0.13 0.00 0.00 55.73 57.74 2c7c s ARG 14 Cb -0.14 -3.15 0.02 0.00 -1.56 0.00 0.00 34.95 30.13 2c7c s ARG 14 CO 0.06 0.03 0.14 1.63 -0.81 0.00 0.00 175.30 176.35 2c7c n LYS 15 N 1.17 0.09 -1.70 5.12 5.02 -0.04 -4.88 118.16 122.94 2c7c n LYS 15 Ca -0.00 -0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 55.61 2c7c n LYS 15 Cb 0.44 -0.13 -0.00 0.00 -0.02 0.00 0.00 35.03 35.32 2c7c n LYS 15 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2c7c n GLU 16 N -1.28 2.13 -2.21 1.97 4.71 -1.26 -4.83 120.64 119.87 2c7c n GLU 16 Ca 0.02 0.75 -0.42 0.00 -0.01 0.00 0.00 57.16 57.50 2c7c n GLU 16 Cb 0.06 -2.35 -0.03 0.00 -1.01 0.00 0.00 31.44 28.11 2c7c n GLU 16 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2c7c s VAL 17 N -1.11 3.36 -0.26 2.62 1.01 -1.26 -4.35 120.40 120.42 2c7c s VAL 17 Ca 0.56 1.01 -0.21 0.00 0.00 0.00 0.00 61.98 63.34 2c7c s VAL 17 Cb -0.56 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.21 2c7c s VAL 17 CO 0.62 0.10 0.36 -0.62 0.00 0.00 0.00 175.10 175.56 2c7c n GLU 18 N 3.59 -1.04 -1.25 2.72 1.02 -0.42 -4.37 120.64 120.88 2c7c n GLU 18 Ca 0.10 0.76 -0.26 0.00 -0.02 0.00 0.00 57.16 57.73 2c7c n GLU 18 Cb 0.43 -1.09 -0.16 0.00 -0.02 0.00 0.00 31.44 30.60 2c7c n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2c7c n THR 19 N -0.17 0.00 0.29 2.62 -1.04 -1.26 -4.83 114.28 109.88 2c7c n THR 19 Ca -0.06 -0.22 0.18 0.00 -2.04 0.00 0.00 64.05 61.91 2c7c n THR 19 Cb 0.38 -0.20 0.84 0.00 -1.82 0.00 0.00 70.33 69.53 2c7c n THR 19 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2c7c h LYS 20 N 9.59 0.00 -0.00 -2.82 6.56 -1.83 -2.48 116.57 125.59 2c7c h LYS 20 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2c7c h LYS 20 Cb 1.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 2c7c h LYS 20 CO 1.27 0.03 -0.00 -1.13 -2.06 0.00 0.00 179.45 177.56 2c7c n SER 21 N -3.20 0.35 0.00 0.86 3.41 -1.26 -1.45 113.62 112.34 2c7c n SER 21 Ca -0.01 -1.11 0.05 0.00 -0.26 0.00 0.00 58.87 57.54 2c7c n SER 21 Cb 0.23 -0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.72 1.78 0.71 7.33 0.00 -0.94 -2.31 120.51 126.35 2c7c n ALA 22 Ca 0.23 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.73 2c7c n ALA 22 Cb 0.17 -1.17 0.16 0.00 0.00 0.00 0.00 19.45 18.60 2c7c n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c7c n GLY 23 N -0.36 -1.31 0.00 0.00 0.00 -1.23 -5.02 105.19 97.26 2c7c n GLY 23 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2c7c n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7c n GLY 24 N 1.40 1.01 0.17 -0.02 0.00 -0.98 -4.20 105.19 102.56 2c7c n GLY 24 Ca 0.04 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 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 1.36 -3.82 -0.61 2.04 -1.98 -3.47 117.51 111.03 2c7c h ILE 25 Ca 0.00 -1.84 -0.51 0.00 1.00 0.00 0.00 64.86 63.51 2c7c h ILE 25 Cb 0.00 2.17 0.04 0.00 -0.74 0.00 0.00 36.82 38.29 2c7c h ILE 25 CO 0.00 0.56 0.55 -0.69 0.00 0.00 0.00 178.15 178.56 2c7c s VAL 26 N -3.69 3.17 -0.01 1.67 1.01 -1.26 -5.03 120.40 116.27 2c7c s VAL 26 Ca -0.12 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.73 2c7c s VAL 26 Cb 0.06 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2c7c s VAL 26 CO 0.84 0.28 1.01 -0.22 0.00 0.00 0.00 175.10 177.00 2c7c s LEU 27 N -1.52 4.35 0.38 3.92 0.20 -1.26 -3.58 118.68 121.17 2c7c s LEU 27 Ca 0.47 1.68 0.04 0.00 0.69 0.00 0.00 54.13 57.01 2c7c s LEU 27 Cb -0.35 -3.57 -0.01 0.00 -0.43 0.00 0.00 46.19 41.83 2c7c s LEU 27 CO 0.46 -0.31 0.55 0.28 -0.29 0.00 0.00 176.35 177.04 2c7c s THR 28 N 1.17 4.02 0.00 3.68 -1.32 -0.53 -4.96 115.64 117.70 2c7c s THR 28 Ca 0.52 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 2c7c s THR 28 Cb -0.22 -3.43 0.00 0.00 -1.51 0.00 0.00 72.50 67.35 2c7c s THR 28 CO 0.27 -0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 2c7c n GLY 29 N -1.82 0.94 3.59 6.08 0.00 -1.26 -4.65 105.19 108.07 2c7c n GLY 29 Ca 0.01 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 2c7c n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2c7c s SER 30 N -1.00 -0.32 -0.00 1.61 0.15 -1.26 -4.78 113.70 108.09 2c7c s SER 30 Ca 0.00 0.35 0.21 0.00 0.70 0.00 0.00 55.95 57.22 2c7c s SER 30 Cb 0.00 0.27 -0.17 0.00 -1.71 0.00 0.00 66.02 64.41 2c7c s SER 30 CO 0.00 -0.30 0.91 0.00 1.20 0.00 0.00 173.24 175.05 2c7c n ALA 31 N 0.70 4.43 -0.55 5.45 0.00 -1.26 -4.98 120.51 124.30 2c7c n ALA 31 Ca -0.09 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2c7c n ALA 31 Cb 0.58 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.58 0.00 -1.71 0.00 0.00 -1.26 -5.12 120.51 110.84 2c7c n ALA 32 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 2c7c n ALA 32 Cb 0.36 -0.18 0.09 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.97 -0.53 -1.89 0.00 0.00 -1.26 -5.13 120.51 110.73 2c7c n ALA 33 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2c7c n ALA 33 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2c7c n ALA 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2c7c n LYS 34 N -2.25 0.00 -3.64 0.00 4.01 -1.26 -4.71 118.16 110.30 2c7c n LYS 34 Ca 0.08 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.83 2c7c n LYS 34 Cb 0.28 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.74 2c7c n LYS 34 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2c7c s SER 35 N -1.00 -0.36 0.00 4.39 0.15 -1.26 -1.30 113.70 114.32 2c7c s SER 35 Ca 0.00 0.65 0.24 0.00 0.70 0.00 0.00 55.95 57.54 2c7c s SER 35 Cb 0.00 0.83 1.26 0.00 -1.71 0.00 0.00 66.02 66.40 2c7c s SER 35 CO 0.00 -0.11 1.81 0.35 1.20 0.00 0.00 173.24 176.49 2c7c n THR 36 N 2.58 0.20 -3.92 6.45 -2.24 -1.26 -4.73 114.28 111.36 2c7c n THR 36 Ca -0.14 0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 2c7c n THR 36 Cb 0.57 -0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.49 3.83 0.23 -0.78 3.00 -1.26 -0.70 118.95 120.77 2c7c s ARG 37 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 55.73 55.72 2c7c s ARG 37 Cb 0.16 -3.24 -0.04 0.00 0.00 0.00 0.00 34.95 31.84 2c7c s ARG 37 CO 0.36 0.44 0.14 0.20 0.00 0.00 0.00 175.30 176.44 2c7c s GLY 38 N -0.09 1.60 -0.12 -3.53 0.00 -0.15 -0.86 107.32 104.18 2c7c s GLY 38 Ca 0.08 -1.76 -0.04 0.00 0.00 0.00 0.00 44.72 43.00 2c7c s GLY 38 CO 0.01 -1.44 0.20 1.85 0.00 0.00 0.00 173.10 173.72 2c7c s GLU 39 N -4.05 0.10 0.23 2.90 2.12 -0.16 -0.60 118.70 119.24 2c7c s GLU 39 Ca 0.39 0.57 -0.30 0.00 0.36 0.00 0.00 54.97 56.00 2c7c s GLU 39 Cb 0.07 -0.33 -0.09 0.00 0.26 0.00 0.00 34.13 34.04 2c7c s GLU 39 CO 0.14 -0.35 1.02 0.08 -0.54 0.00 0.00 175.26 175.61 2c7c s VAL 40 N 2.34 3.86 -0.11 3.70 1.01 0.24 -0.86 120.40 130.58 2c7c s VAL 40 Ca 0.03 1.80 -0.01 0.00 0.00 0.00 0.00 61.98 63.80 2c7c s VAL 40 Cb -0.13 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 2c7c s VAL 40 CO -0.08 0.40 -0.11 0.18 0.00 0.00 0.00 175.10 175.50 2c7c n LEU 41 N 1.62 2.52 -3.66 3.92 4.77 -0.32 -1.63 117.00 124.23 2c7c n LEU 41 Ca -0.01 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 2c7c n LEU 41 Cb 0.46 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2c7c n LEU 41 CO 0.52 0.59 0.19 0.00 -1.33 0.00 0.00 177.39 177.36 2c7c s ALA 42 N -2.22 -1.63 0.36 -1.18 0.00 -0.10 -4.81 121.76 112.17 2c7c s ALA 42 Ca -0.15 2.04 -0.20 0.00 0.00 0.00 0.00 51.96 53.65 2c7c s ALA 42 Cb 0.04 -1.45 -0.10 0.00 0.00 0.00 0.00 23.12 21.62 2c7c s ALA 42 CO 0.24 -0.65 0.86 0.08 0.00 0.00 0.00 175.76 176.30 2c7c s VAL 43 N 2.28 4.46 0.55 0.00 1.01 -1.26 -0.59 120.40 126.85 2c7c s VAL 43 Ca -0.07 1.38 -0.18 0.00 0.00 0.00 0.00 61.98 63.11 2c7c s VAL 43 Cb -0.10 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 2c7c s VAL 43 CO -0.17 -0.13 0.51 0.61 0.00 0.00 0.00 175.10 175.92 2c7c n GLY 44 N -0.18 -1.55 2.16 4.51 0.00 -1.20 -4.62 105.19 104.32 2c7c n GLY 44 Ca 0.04 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.64 4.16 0.00 1.61 4.13 -1.21 -4.92 115.26 119.67 2c7c n ASN 45 Ca 0.11 -2.25 0.00 0.00 1.68 0.00 0.00 54.58 54.12 2c7c n ASN 45 Cb 0.47 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.63 2c7c n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2c7c n GLY 46 N 2.73 1.63 3.07 7.41 0.00 -1.26 -4.56 105.19 114.21 2c7c n GLY 46 Ca 0.35 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.50 -1.26 1.61 3.52 -1.09 -0.59 118.95 121.63 2c7c s ARG 47 Ca 0.00 0.67 -0.15 0.00 -0.13 0.00 0.00 55.73 56.12 2c7c s ARG 47 Cb 0.00 0.14 0.13 0.00 -1.56 0.00 0.00 34.95 33.66 2c7c s ARG 47 CO 0.00 -0.79 1.62 -0.89 -0.81 0.00 0.00 175.30 174.42 2c7c n ILE 48 N 5.40 4.11 -3.77 4.11 5.41 -1.26 -0.77 119.36 132.59 2c7c n ILE 48 Ca 0.00 -4.40 -0.13 0.00 1.00 0.00 0.00 62.75 59.23 2c7c n ILE 48 Cb 0.51 -2.42 -0.08 0.00 -0.71 0.00 0.00 39.64 36.94 2c7c n ILE 48 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2c7c s LEU 49 N 2.44 0.96 -0.60 1.39 1.43 -1.26 -5.03 118.68 118.01 2c7c s LEU 49 Ca 0.47 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.53 2c7c s LEU 49 Cb 0.01 1.21 -0.00 0.00 0.03 0.00 0.00 46.19 47.44 2c7c s LEU 49 CO 0.03 -0.49 0.50 1.21 0.23 0.00 0.00 176.35 177.83 2c7c n GLU 50 N 1.09 -3.12 0.00 1.70 2.13 -1.26 -4.46 120.64 116.72 2c7c n GLU 50 Ca -0.21 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.04 2c7c n GLU 50 Cb 0.57 -4.15 0.00 0.00 0.27 0.00 0.00 31.44 28.13 2c7c n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2c7c n ASN 51 N -2.10 0.00 -4.22 4.31 5.15 -1.26 -4.75 115.26 112.38 2c7c n ASN 51 Ca -0.14 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.45 2c7c n ASN 51 Cb 0.58 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.81 2c7c n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2c7c n GLY 52 N 0.00 2.67 7.00 8.20 0.00 -1.26 -4.83 105.19 116.97 2c7c n GLY 52 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2c7c n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c7c n GLU 53 N 7.60 0.00 -2.51 1.61 1.02 -1.26 -4.72 120.64 122.38 2c7c n GLU 53 Ca 0.49 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 57.21 2c7c n GLU 53 Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.82 2c7c n GLU 53 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2c7c s VAL 54 N 0.00 4.07 0.47 2.62 1.01 -1.26 -4.59 120.40 122.71 2c7c s VAL 54 Ca 0.00 1.63 -0.22 0.00 0.00 0.00 0.00 61.98 63.39 2c7c s VAL 54 Cb 0.00 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 2c7c s VAL 54 CO 0.00 0.21 1.14 -0.54 0.00 0.00 0.00 175.10 175.91 2c7c s LYS 55 N 0.31 3.75 1.07 2.72 -0.14 0.05 -4.81 119.74 122.68 2c7c s LYS 55 Ca 0.53 1.71 -0.16 0.00 -1.36 0.00 0.00 55.97 56.68 2c7c s LYS 55 Cb -0.28 -2.35 0.23 0.00 -1.68 0.00 0.00 37.83 33.74 2c7c s LYS 55 CO 0.32 -0.54 1.15 -1.25 -0.76 0.00 0.00 175.35 174.27 2c7c s PRO 56 N -2.78 -0.15 0.08 -1.68 0.04 -1.26 -2.67 135.00 126.58 2c7c s PRO 56 Ca 0.64 0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.73 2c7c s PRO 56 Cb -0.27 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2c7c s PRO 56 CO 0.32 -3.01 -0.09 -0.51 0.04 0.00 0.00 177.00 173.75 2c7c s LEU 57 N -6.48 2.37 -0.01 -3.56 1.43 -1.26 -4.79 118.68 106.37 2c7c s LEU 57 Ca 0.69 -0.76 0.12 0.00 -1.03 0.00 0.00 54.13 53.15 2c7c s LEU 57 Cb -0.11 -0.23 -0.17 0.00 0.03 0.00 0.00 46.19 45.71 2c7c s LEU 57 CO 0.55 -0.27 0.32 0.47 0.23 0.00 0.00 176.35 177.65 2c7c n ASP 58 N 0.77 1.80 -4.72 2.29 8.00 -1.26 -5.02 116.55 118.42 2c7c n ASP 58 Ca -0.18 -0.21 -0.36 0.00 0.71 0.00 0.00 54.79 54.75 2c7c n ASP 58 Cb 0.57 1.40 0.08 0.00 -0.02 0.00 0.00 41.12 43.15 2c7c n ASP 58 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2c7c n VAL 59 N -1.74 4.20 -3.88 2.53 0.24 -1.26 -5.07 118.33 113.35 2c7c n VAL 59 Ca -0.01 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.34 61.75 2c7c n VAL 59 Cb 0.28 -1.41 -0.12 0.00 -1.47 0.00 0.00 33.84 31.12 2c7c n VAL 59 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2c7c s LYS 60 N -3.54 0.22 0.11 7.34 -2.85 -1.26 -4.98 119.74 114.77 2c7c s LYS 60 Ca 0.80 -0.15 -0.31 0.00 -1.00 0.00 0.00 55.97 55.32 2c7c s LYS 60 Cb -0.36 0.09 -0.07 0.00 -2.06 0.00 0.00 37.83 35.43 2c7c s LYS 60 CO 0.43 -0.04 1.29 0.08 0.10 0.00 0.00 175.35 177.21 2c7c s VAL 61 N -0.56 3.59 0.00 1.79 1.01 -1.26 -3.43 120.40 121.54 2c7c s VAL 61 Ca -0.06 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2c7c s VAL 61 Cb -0.04 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2c7c s VAL 61 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2c7c n GLY 62 N 3.11 0.87 3.97 4.51 0.00 -0.64 -5.00 105.19 112.01 2c7c n GLY 62 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.97 4.78 -0.14 1.61 -1.08 -1.22 -4.72 116.67 112.93 2c7c s ASP 63 Ca 0.00 0.01 -0.04 0.00 -0.52 0.00 0.00 52.55 52.01 2c7c s ASP 63 Cb 0.00 -0.65 -0.03 0.00 -1.46 0.00 0.00 42.92 40.78 2c7c s ASP 63 CO 0.00 -1.55 -0.01 -0.63 0.52 0.00 0.00 175.17 173.50 2c7c s ILE 64 N -3.05 4.12 0.14 4.11 1.01 -1.26 -0.59 121.20 125.67 2c7c s ILE 64 Ca 0.61 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 61.02 2c7c s ILE 64 Cb -0.09 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 2c7c s ILE 64 CO 0.42 0.52 -0.10 0.68 0.00 0.00 0.00 174.94 176.46 2c7c s VAL 65 N 0.05 1.10 -0.06 2.92 -7.23 0.23 -4.37 120.40 113.04 2c7c s VAL 65 Ca 0.01 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.26 2c7c s VAL 65 Cb -0.13 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 2c7c s VAL 65 CO 0.02 -0.73 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.21 2c7c s ILE 66 N -3.21 2.13 0.07 -0.62 1.01 0.21 -0.98 121.20 119.81 2c7c s ILE 66 Ca 0.15 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 2c7c s ILE 66 Cb 0.02 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.73 2c7c s ILE 66 CO 0.00 0.57 0.26 0.72 0.00 0.00 0.00 174.94 176.49 2c7c s PHE 67 N -0.19 -0.01 -1.08 3.97 -0.12 0.13 -0.27 117.98 120.40 2c7c s PHE 67 Ca -0.02 -0.25 -0.22 0.00 -0.05 0.00 0.00 56.93 56.39 2c7c s PHE 67 Cb -0.13 0.05 0.04 0.00 -0.63 0.00 0.00 43.02 42.34 2c7c s PHE 67 CO 0.03 -0.53 1.60 1.21 -0.05 0.00 0.00 175.22 177.49 2c7c s ASN 68 N -2.39 6.34 0.62 1.98 2.47 0.25 -4.44 114.94 119.76 2c7c s ASN 68 Ca -0.01 -1.59 -0.18 0.00 0.42 0.00 0.00 52.86 51.49 2c7c s ASN 68 Cb 0.01 -2.57 -0.02 0.00 -1.45 0.00 0.00 41.25 37.21 2c7c s ASN 68 CO -0.07 -1.66 1.25 -0.62 -3.72 0.00 0.00 177.10 172.28 2c7c s ASP 69 N 5.26 4.91 0.00 -4.21 2.15 -1.26 -4.74 116.67 118.78 2c7c s ASP 69 Ca 0.52 2.51 0.00 0.00 0.43 0.00 0.00 52.55 56.00 2c7c s ASP 69 Cb 0.00 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 2c7c s ASP 69 CO -0.04 -1.79 0.00 0.61 -0.17 0.00 0.00 175.17 173.79 2c7c n GLY 70 N 0.70 0.61 0.16 2.66 0.00 -1.26 -4.93 105.19 103.12 2c7c n GLY 70 Ca 0.15 -1.55 0.11 0.00 0.00 0.00 0.00 46.02 44.74 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 5.58 0.77 0.00 1.61 9.36 -1.26 -4.21 117.16 129.01 2c7c n TYR 71 Ca 0.00 0.38 0.00 0.00 3.32 0.00 0.00 57.90 61.60 2c7c n TYR 71 Cb 0.00 -1.11 0.00 0.00 -0.63 0.00 0.00 39.34 37.60 2c7c n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2c7c n GLY 72 N -1.02 0.49 0.00 2.98 0.00 -1.26 -4.92 105.19 101.45 2c7c n GLY 72 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2c7c n GLY 72 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2c7c n VAL 73 N 0.00 0.00 -2.78 1.61 0.31 -1.26 -4.99 118.33 111.22 2c7c n VAL 73 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 2c7c n VAL 73 Cb 0.00 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.99 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 0.00 2.29 0.07 5.55 -0.14 -0.03 -4.84 119.74 122.65 2c7c s LYS 74 Ca 0.00 -1.15 -0.08 0.00 -1.36 0.00 0.00 55.97 53.38 2c7c s LYS 74 Cb 0.00 -2.53 -0.00 0.00 -1.68 0.00 0.00 37.83 33.62 2c7c s LYS 74 CO 0.00 -0.88 0.17 0.45 -0.76 0.00 0.00 175.35 174.34 2c7c s SER 75 N -4.55 0.13 0.22 2.83 0.15 -1.26 -0.58 113.70 110.63 2c7c s SER 75 Ca 0.60 -0.60 -0.14 0.00 0.70 0.00 0.00 55.95 56.51 2c7c s SER 75 Cb -0.08 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 2c7c s SER 75 CO 0.39 -0.68 0.48 -1.61 1.20 0.00 0.00 173.24 173.03 2c7c s GLU 76 N -3.53 1.45 -0.41 5.44 0.41 0.35 -4.93 118.70 117.49 2c7c s GLU 76 Ca 0.02 -1.11 0.03 0.00 -0.41 0.00 0.00 54.97 53.50 2c7c s GLU 76 Cb 0.04 0.48 0.12 0.00 -1.78 0.00 0.00 34.13 32.98 2c7c s GLU 76 CO -0.09 -0.60 0.17 0.21 -0.49 0.00 0.00 175.26 174.45 2c7c s LYS 77 N -3.96 1.43 -0.23 1.61 2.47 -1.26 -0.81 119.74 119.00 2c7c s LYS 77 Ca 0.17 -1.97 -0.06 0.00 -1.56 0.00 0.00 55.97 52.55 2c7c s LYS 77 Cb -0.01 -2.79 -0.02 0.00 -1.46 0.00 0.00 37.83 33.55 2c7c s LYS 77 CO 0.04 -1.05 0.02 0.42 0.16 0.00 0.00 175.35 174.94 2c7c s ILE 78 N 0.55 4.01 -0.81 5.43 1.09 -0.81 -4.52 121.20 126.14 2c7c s ILE 78 Ca 0.14 -0.28 -0.00 0.00 -1.10 0.00 0.00 60.65 59.41 2c7c s ILE 78 Cb -0.22 -2.85 0.00 0.00 -1.06 0.00 0.00 42.46 38.34 2c7c s ILE 78 CO -0.07 0.39 0.01 0.47 -0.10 0.00 0.00 174.94 175.64 2c7c n ASP 79 N 4.63 -3.20 0.00 3.58 8.00 -1.26 -0.61 116.55 127.70 2c7c n ASP 79 Ca -0.17 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2c7c n ASP 79 Cb 0.51 -2.75 0.00 0.00 -0.02 0.00 0.00 41.12 38.86 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 -1.74 0.00 -4.86 -2.24 2.85 -1.26 -5.06 115.26 102.94 2c7c n ASN 80 Ca -0.11 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.03 2c7c n ASN 80 Cb 0.58 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.55 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 -0.29 3.89 -0.94 1.20 8.01 0.22 -5.01 118.70 125.78 2c7c s GLU 81 Ca 0.00 0.40 -0.24 0.00 0.01 0.00 0.00 54.97 55.14 2c7c s GLU 81 Cb 0.00 -2.72 0.02 0.00 -4.31 0.00 0.00 34.13 27.12 2c7c s GLU 81 CO 0.00 0.35 1.55 -1.21 0.01 0.00 0.00 175.26 175.96 2c7c s GLU 82 N -2.54 3.28 -0.23 1.61 0.41 -1.26 -1.93 118.70 118.04 2c7c s GLU 82 Ca 0.45 -0.75 -0.21 0.00 -0.41 0.00 0.00 54.97 54.05 2c7c s GLU 82 Cb -0.12 -5.10 -0.02 0.00 -1.78 0.00 0.00 34.13 27.10 2c7c s GLU 82 CO 0.20 -2.47 0.63 0.14 -0.49 0.00 0.00 175.26 173.27 2c7c s VAL 83 N 6.33 5.00 -0.17 2.63 -7.23 0.01 -4.33 120.40 122.64 2c7c s VAL 83 Ca 0.51 1.17 -0.08 0.00 -1.81 0.00 0.00 61.98 61.76 2c7c s VAL 83 Cb -0.03 -3.94 -0.04 0.00 0.56 0.00 0.00 36.38 32.92 2c7c s VAL 83 CO -0.03 0.07 0.11 -0.22 -0.31 0.00 0.00 175.10 174.72 2c7c s LEU 84 N 2.22 4.16 -0.38 1.32 2.96 0.42 -0.49 118.68 128.89 2c7c s LEU 84 Ca 0.28 0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 2c7c s LEU 84 Cb -0.16 -2.05 0.12 0.00 0.50 0.00 0.00 46.19 44.61 2c7c s LEU 84 CO 0.09 0.25 0.17 -0.63 -1.32 0.00 0.00 176.35 174.92 2c7c s ILE 85 N -0.09 1.20 0.28 6.68 1.01 0.26 -0.70 121.20 129.83 2c7c s ILE 85 Ca 0.09 -2.06 0.03 0.00 0.00 0.00 0.00 60.65 58.71 2c7c s ILE 85 Cb -0.12 -1.86 0.05 0.00 0.01 0.00 0.00 42.46 40.54 2c7c s ILE 85 CO 0.00 -0.80 0.38 1.15 0.00 0.00 0.00 174.94 175.68 2c7c n MET 86 N 4.10 0.68 -3.32 2.79 0.00 -0.90 -0.85 117.12 119.63 2c7c n MET 86 Ca 0.04 -1.35 -0.21 0.00 0.00 0.00 0.00 57.70 56.18 2c7c n MET 86 Cb 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 33.22 33.44 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 -2.67 5.96 0.60 3.17 1.04 -1.26 -0.07 113.70 120.46 2c7c s SER 87 Ca 0.28 0.04 0.35 0.00 0.48 0.00 0.00 55.95 57.10 2c7c s SER 87 Cb -0.02 -1.43 1.91 0.00 0.10 0.00 0.00 66.02 66.58 2c7c s SER 87 CO 0.18 -0.50 2.23 -0.08 0.98 0.00 0.00 173.24 176.04 2c7c h GLU 88 N 0.71 0.00 -0.03 4.02 4.81 -1.61 -2.20 114.58 120.28 2c7c h GLU 88 Ca -0.47 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 2c7c h GLU 88 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2c7c h GLU 88 CO 0.55 0.03 -0.24 0.77 -0.73 0.00 0.00 179.01 179.40 2c7c h SER 89 N 0.00 0.04 0.58 1.04 0.02 -1.95 -2.15 113.55 111.13 2c7c h SER 89 Ca -0.00 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 2c7c h SER 89 Cb 0.13 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2c7c h SER 89 CO 0.00 0.29 -0.33 0.44 -1.14 0.00 0.00 176.83 176.09 2c7c h ASP 90 N 0.04 0.00 -3.35 3.07 3.45 -1.77 -3.44 116.42 114.42 2c7c h ASP 90 Ca 0.01 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.90 2c7c h ASP 90 Cb 0.45 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.16 2c7c h ASP 90 CO 0.03 0.33 0.24 -0.63 -1.57 0.00 0.00 179.24 177.64 2c7c s ILE 91 N -3.92 4.96 -0.20 0.35 1.01 -0.81 -0.58 121.20 122.01 2c7c s ILE 91 Ca -0.02 1.59 0.13 0.00 0.00 0.00 0.00 60.65 62.36 2c7c s ILE 91 Cb 0.13 -4.11 -0.23 0.00 0.01 0.00 0.00 42.46 38.25 2c7c s ILE 91 CO 0.68 0.15 0.04 0.18 0.00 0.00 0.00 174.94 175.99 2c7c n LEU 92 N 4.38 0.83 -3.50 2.97 4.77 0.62 -4.95 117.00 122.12 2c7c n LEU 92 Ca 0.02 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 2c7c n LEU 92 Cb 0.50 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2c7c n LEU 92 CO 0.48 0.61 0.57 0.00 -1.33 0.00 0.00 177.39 177.72 2c7c s ALA 93 N -2.50 -1.77 0.00 -1.18 0.00 -0.98 -5.02 121.76 110.31 2c7c s ALA 93 Ca -0.16 1.04 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2c7c s ALA 93 Cb 0.07 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2c7c s ALA 93 CO 0.77 -0.57 0.00 -0.89 0.00 0.00 0.00 175.76 175.07 2c7c n ILE 94 N 0.14 0.00 0.00 0.00 5.41 -1.26 -0.62 119.36 123.03 2c7c n ILE 94 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 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