#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5s s SER 2 N 0.00 -0.18 -0.18 1.61 0.15 -1.26 -5.19 113.70 108.66 2e5s s SER 2 Ca 0.00 -0.75 -0.35 0.00 0.70 0.00 0.00 55.95 55.55 2e5s s SER 2 Cb 0.00 0.64 0.14 0.00 -1.71 0.00 0.00 66.02 65.09 2e5s s SER 2 CO 0.00 -1.21 1.19 -0.55 1.20 0.00 0.00 173.24 173.88 2e5s s SER 3 N -2.96 -0.15 0.00 5.45 0.15 -1.26 -5.19 113.70 109.74 2e5s s SER 3 Ca 0.16 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2e5s s SER 3 Cb -0.03 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2e5s s SER 3 CO 0.07 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2e5s n GLY 4 N -0.08 4.25 2.81 9.45 0.00 -1.26 -5.09 105.19 115.26 2e5s n GLY 4 Ca -0.00 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 2e5s n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e5s s SER 5 N 0.42 4.10 -0.29 1.61 1.04 -1.26 -5.02 113.70 114.30 2e5s s SER 5 Ca 0.00 -3.43 0.01 0.00 0.48 0.00 0.00 55.95 53.01 2e5s s SER 5 Cb 0.00 -1.39 0.18 0.00 0.10 0.00 0.00 66.02 64.92 2e5s s SER 5 CO 0.00 -0.15 0.56 -0.55 0.98 0.00 0.00 173.24 174.08 2e5s s SER 6 N -0.79 -1.15 0.00 7.02 0.15 -1.26 -5.07 113.70 112.60 2e5s s SER 6 Ca 0.24 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2e5s s SER 6 Cb -0.10 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.15 2e5s s SER 6 CO -0.12 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2e5s n GLY 7 N 5.41 -1.66 0.29 9.45 0.00 -1.26 -5.04 105.19 112.39 2e5s n GLY 7 Ca 0.01 0.69 0.05 0.00 0.00 0.00 0.00 46.02 46.77 2e5s n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2e5s h SER 8 N 0.00 -0.52 -3.62 1.61 0.02 -2.05 -3.41 113.55 105.58 2e5s h SER 8 Ca 0.00 0.22 -0.56 0.00 -0.84 0.00 0.00 61.79 60.61 2e5s h SER 8 Cb 0.00 0.42 0.17 0.00 0.14 0.00 0.00 62.40 63.13 2e5s h SER 8 CO 0.00 -0.24 0.08 0.35 -1.14 0.00 0.00 176.83 175.88 2e5s n THR 9 N -5.44 3.38 -4.23 -2.27 -2.24 -1.26 -5.03 114.28 97.19 2e5s n THR 9 Ca 0.14 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 2e5s n THR 9 Cb 0.48 -1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 67.52 2e5s n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2e5s s ALA 10 N -1.64 1.29 -0.19 6.98 0.00 -1.26 -5.16 121.76 121.78 2e5s s ALA 10 Ca 0.75 -1.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 2e5s s ALA 10 Cb -0.39 0.89 0.09 0.00 0.00 0.00 0.00 23.12 23.71 2e5s s ALA 10 CO 0.48 -0.44 0.40 0.99 0.00 0.00 0.00 175.76 177.19 2e5s s THR 11 N -3.86 -0.62 -0.01 0.00 2.01 -1.26 -5.15 115.64 106.74 2e5s s THR 11 Ca 0.30 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.49 2e5s s THR 11 Cb 0.07 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.94 2e5s s THR 11 CO 0.07 0.07 -0.06 -1.10 -0.69 0.00 0.00 174.62 172.91 2e5s s GLN 12 N 2.59 0.61 -0.26 4.92 -1.52 -1.26 -5.04 119.66 119.70 2e5s s GLN 12 Ca -0.01 -0.21 0.09 0.00 -1.95 0.00 0.00 55.36 53.28 2e5s s GLN 12 Cb -0.12 -0.60 0.45 0.00 -0.22 0.00 0.00 33.01 32.52 2e5s s GLN 12 CO -0.12 0.10 1.26 0.36 -0.25 0.00 0.00 175.29 176.63 2e5s n LYS 13 N 3.17 2.45 -3.71 2.91 0.00 -1.26 -4.98 118.16 116.74 2e5s n LYS 13 Ca -0.16 -3.64 -0.18 0.00 -0.00 0.00 0.00 58.31 54.34 2e5s n LYS 13 Cb 0.56 -1.92 -0.17 0.00 -0.00 0.00 0.00 35.03 33.50 2e5s n LYS 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2e5s s LEU 14 N -3.40 0.52 -0.07 -5.58 1.02 -1.26 -5.11 118.68 104.80 2e5s s LEU 14 Ca 0.45 0.09 -0.36 0.00 0.02 0.00 0.00 54.13 54.33 2e5s s LEU 14 Cb 0.39 -0.06 -0.14 0.00 0.02 0.00 0.00 46.19 46.40 2e5s s LEU 14 CO -0.02 -0.20 1.72 0.18 0.02 0.00 0.00 176.35 178.06 2e5s n LEU 15 N 4.81 2.88 -2.46 1.79 4.77 -1.26 -4.87 117.00 122.65 2e5s n LEU 15 Ca -0.14 1.04 -0.11 0.00 -0.03 0.00 0.00 56.01 56.76 2e5s n LEU 15 Cb 0.50 -1.30 0.04 0.00 -2.33 0.00 0.00 43.42 40.33 2e5s n LEU 15 CO 0.13 -0.32 0.08 -2.11 -1.33 0.00 0.00 177.39 173.84 2e5s n ARG 16 N 5.21 2.60 -0.40 3.23 -4.01 -1.26 -4.87 116.66 117.16 2e5s n ARG 16 Ca 0.22 -3.82 -0.04 0.00 -1.04 0.00 0.00 57.85 53.17 2e5s n ARG 16 Cb 0.24 -1.92 0.02 0.00 -3.04 0.00 0.00 32.46 27.76 2e5s n ARG 16 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 2e5s n THR 17 N -0.65 1.78 -2.44 8.89 5.66 -1.26 -4.37 114.28 121.89 2e5s n THR 17 Ca 0.24 -0.56 -0.33 0.00 -3.05 0.00 0.00 64.05 60.34 2e5s n THR 17 Cb 0.88 -1.19 0.01 0.00 -1.55 0.00 0.00 70.33 68.47 2e5s n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2e5s n ASP 18 N 0.71 5.99 -3.79 1.09 5.75 -1.26 -4.96 116.55 120.09 2e5s n ASP 18 Ca 0.09 -3.74 -0.14 0.00 -0.01 0.00 0.00 54.79 50.99 2e5s n ASP 18 Cb 0.60 -0.79 -0.15 0.00 -1.03 0.00 0.00 41.12 39.75 2e5s n ASP 18 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2e5s s LYS 19 N -3.84 0.05 -0.13 0.11 -2.85 -1.26 0.11 119.74 111.93 2e5s s LYS 19 Ca 0.48 0.23 0.02 0.00 -1.00 0.00 0.00 55.97 55.70 2e5s s LYS 19 Cb 0.35 -0.13 0.01 0.00 -2.06 0.00 0.00 37.83 36.00 2e5s s LYS 19 CO -0.24 -0.12 -0.19 -0.51 0.10 0.00 0.00 175.35 174.40 2e5s s LEU 20 N 0.79 1.93 -0.07 2.77 1.43 0.33 -4.94 118.68 120.92 2e5s s LEU 20 Ca -0.06 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 2e5s s LEU 20 Cb -0.08 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 2e5s s LEU 20 CO -0.03 0.04 1.64 -1.61 0.23 0.00 0.00 176.35 176.61 2e5s s GLU 21 N 0.99 4.16 0.18 1.70 2.02 -1.26 -1.34 118.70 125.14 2e5s s GLU 21 Ca -0.05 2.14 -0.30 0.00 0.02 0.00 0.00 54.97 56.78 2e5s s GLU 21 Cb -0.15 -3.98 -0.08 0.00 0.10 0.00 0.00 34.13 30.02 2e5s s GLU 21 CO -0.04 -0.87 1.20 0.08 0.02 0.00 0.00 175.26 175.66 2e5s s VAL 22 N 4.10 3.58 0.50 2.63 1.01 -0.12 -2.56 120.40 129.53 2e5s s VAL 22 Ca 0.73 1.31 -0.21 0.00 0.00 0.00 0.00 61.98 63.81 2e5s s VAL 22 Cb -0.32 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 2e5s s VAL 22 CO 0.29 0.20 1.14 0.00 0.00 0.00 0.00 175.10 176.74 2e5s h ARG 24 N 1.60 0.19 0.65 0.00 3.08 -1.94 -3.36 114.38 114.61 2e5s h ARG 24 Ca -0.50 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.20 2e5s h ARG 24 Cb 1.25 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2e5s h ARG 24 CO 0.58 1.16 -0.34 0.93 -1.07 0.00 0.00 179.97 181.23 2e5s h GLU 25 N -0.26 -0.89 -0.97 0.04 5.08 -1.96 -2.70 114.58 112.92 2e5s h GLU 25 Ca -0.40 0.06 0.32 0.00 -1.00 0.00 0.00 59.36 58.35 2e5s h GLU 25 Cb 1.81 0.20 -0.16 0.00 0.50 0.00 0.00 28.75 31.10 2e5s h GLU 25 CO 0.00 -0.59 0.38 0.35 -1.00 0.00 0.00 179.01 178.15 2e5s h PHE 26 N -0.92 0.58 -0.55 4.33 3.57 -1.86 0.30 116.94 122.38 2e5s h PHE 26 Ca -0.09 0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.57 2e5s h PHE 26 Cb 0.72 -0.09 -0.11 0.00 2.79 0.00 0.00 35.95 39.26 2e5s h PHE 26 CO -0.05 -0.33 -0.17 1.96 -2.23 0.00 0.00 178.31 177.48 2e5s h GLN 27 N 0.13 -0.03 -0.74 1.11 4.20 -1.62 0.45 115.11 118.60 2e5s h GLN 27 Ca 0.70 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.42 2e5s h GLN 27 Cb 1.64 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.43 2e5s h GLN 27 CO -0.73 -0.02 0.00 2.89 -0.67 0.00 0.00 178.83 180.29 2e5s n ARG 28 N -5.41 3.22 -3.64 1.46 1.85 0.99 -4.90 116.66 110.23 2e5s n ARG 28 Ca 0.06 -1.82 -0.21 0.00 -1.00 0.00 0.00 57.85 54.88 2e5s n ARG 28 Cb 0.31 -1.92 0.04 0.00 -1.05 0.00 0.00 32.46 29.84 2e5s n ARG 28 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2e5s n GLY 29 N 0.40 -0.34 0.01 2.89 0.00 0.16 -4.91 105.19 103.41 2e5s n GLY 29 Ca 0.16 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 2e5s n GLY 29 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e5s n ASN 30 N -3.07 3.97 -4.62 1.61 5.15 -0.74 -4.96 115.26 112.60 2e5s n ASN 30 Ca -0.29 -0.01 -0.50 0.00 -0.60 0.00 0.00 54.58 53.18 2e5s n ASN 30 Cb 0.67 0.16 -0.05 0.00 -0.53 0.00 0.00 39.78 40.03 2e5s n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2e5s n ALA 32 N 7.75 2.11 0.29 0.00 0.00 -1.26 -3.91 120.51 125.49 2e5s n ALA 32 Ca 0.28 -0.50 0.18 0.00 0.00 0.00 0.00 53.44 53.40 2e5s n ALA 32 Cb 0.27 -0.94 0.83 0.00 0.00 0.00 0.00 19.45 19.60 2e5s n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5s h ARG 33 N 0.00 0.00 -2.94 0.00 3.08 -1.91 -3.48 114.38 109.13 2e5s h ARG 33 Ca -0.13 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.22 2e5s h ARG 33 Cb 1.44 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.37 2e5s h ARG 33 CO 0.03 0.01 -0.75 0.41 -1.07 0.00 0.00 179.97 178.60 2e5s n GLY 34 N -0.28 -2.14 0.00 0.04 0.00 -1.25 -0.02 105.19 101.53 2e5s n GLY 34 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2e5s n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2e5s n GLU 35 N -3.87 0.00 -0.03 1.61 0.28 -1.26 0.41 120.64 117.78 2e5s n GLU 35 Ca -0.03 0.47 -0.01 0.00 -0.16 0.00 0.00 57.16 57.42 2e5s n GLU 35 Cb 0.64 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 32.01 2e5s n GLU 35 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2e5s h THR 36 N 0.00 0.00 -0.00 3.84 1.35 -1.93 -3.38 112.91 112.79 2e5s h THR 36 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2e5s h THR 36 Cb 0.01 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.43 2e5s h THR 36 CO 0.00 0.00 -0.03 -0.67 -0.25 0.00 0.00 175.52 174.57 2e5s n ASP 37 N -3.58 0.17 -4.66 5.36 -0.08 0.98 -4.78 116.55 109.96 2e5s n ASP 37 Ca -0.02 -0.56 -0.35 0.00 -1.51 0.00 0.00 54.79 52.35 2e5s n ASP 37 Cb 0.07 -0.14 -0.10 0.00 2.34 0.00 0.00 41.12 43.30 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e5s h ARG 39 N 5.32 0.52 -6.83 0.00 -0.00 -1.86 -3.42 114.38 108.11 2e5s h ARG 39 Ca -0.49 -0.51 -0.53 0.00 -0.50 0.00 0.00 59.98 57.95 2e5s h ARG 39 Cb 1.19 0.13 0.08 0.00 0.00 0.00 0.00 29.97 31.37 2e5s h ARG 39 CO 0.55 1.14 0.78 -0.06 0.00 0.00 0.00 179.97 182.39 2e5s s PHE 40 N -3.40 2.85 0.20 3.04 0.40 -1.26 -4.95 117.98 114.86 2e5s s PHE 40 Ca -0.12 1.05 -0.30 0.00 -0.60 0.00 0.00 56.93 56.96 2e5s s PHE 40 Cb 0.05 -3.91 -0.09 0.00 0.51 0.00 0.00 43.02 39.58 2e5s s PHE 40 CO 0.85 -2.87 1.25 0.00 0.70 0.00 0.00 175.22 175.14 2e5s s ALA 41 N -0.45 3.48 -0.50 5.36 0.00 -1.06 -4.67 121.76 123.92 2e5s s ALA 41 Ca 0.57 1.03 -0.13 0.00 0.00 0.00 0.00 51.96 53.44 2e5s s ALA 41 Cb -0.44 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.35 2e5s s ALA 41 CO 0.51 -0.45 0.42 -1.01 0.00 0.00 0.00 175.76 175.23 2e5s s HIS 42 N -0.09 3.33 -0.98 0.00 3.76 -1.26 -2.79 115.29 117.26 2e5s s HIS 42 Ca 0.54 -1.52 -0.24 0.00 -0.15 0.00 0.00 55.06 53.69 2e5s s HIS 42 Cb -0.35 -3.59 -0.06 0.00 1.11 0.00 0.00 32.58 29.70 2e5s s HIS 42 CO 0.38 -0.98 1.94 -1.25 -0.85 0.00 0.00 174.74 173.98 2e5s s PRO 43 N 1.50 2.54 -0.26 8.40 0.04 -1.26 -4.67 135.00 141.29 2e5s s PRO 43 Ca 0.04 -0.54 -0.06 0.00 0.04 0.00 0.00 61.00 60.48 2e5s s PRO 43 Cb -0.28 -5.11 -0.16 0.00 0.04 0.00 0.00 34.50 28.99 2e5s s PRO 43 CO 0.02 -3.55 -0.23 0.00 0.04 0.00 0.00 177.00 173.28 2e5s n ALA 44 N 14.09 1.27 -0.37 8.56 0.00 -1.26 -4.52 120.51 138.28 2e5s n ALA 44 Ca 0.41 -1.05 -0.00 0.00 0.00 0.00 0.00 53.44 52.80 2e5s n ALA 44 Cb 0.47 -0.05 0.05 0.00 0.00 0.00 0.00 19.45 19.92 2e5s n ALA 44 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2e5s h ASP 45 N -0.47 -1.35 -5.63 0.00 3.58 -2.03 -3.43 116.42 107.09 2e5s h ASP 45 Ca -0.61 0.31 -0.30 0.00 0.42 0.00 0.00 57.03 56.84 2e5s h ASP 45 Cb 1.76 0.73 -0.12 0.00 1.72 0.00 0.00 39.33 43.42 2e5s h ASP 45 CO -0.23 -0.29 -0.39 -0.94 -2.88 0.00 0.00 179.24 174.51 2e5s s SER 46 N -5.33 0.84 -0.47 2.28 1.04 -1.26 -5.05 113.70 105.75 2e5s s SER 46 Ca -0.14 -1.48 -0.03 0.00 0.48 0.00 0.00 55.95 54.78 2e5s s SER 46 Cb 0.21 0.55 0.16 0.00 0.10 0.00 0.00 66.02 67.03 2e5s s SER 46 CO 0.72 -1.09 2.45 0.35 0.98 0.00 0.00 173.24 176.66 2e5s n THR 47 N -0.48 3.22 -2.81 2.02 -2.24 -1.26 -4.84 114.28 107.88 2e5s n THR 47 Ca 0.03 -2.73 -0.43 0.00 -2.27 0.00 0.00 64.05 58.65 2e5s n THR 47 Cb 0.63 -1.46 -0.01 0.00 -2.10 0.00 0.00 70.33 67.39 2e5s n THR 47 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2e5s s MET 48 N -2.09 3.97 0.05 -0.78 -1.94 -1.26 -4.95 119.30 112.29 2e5s s MET 48 Ca 0.51 -2.21 0.02 0.00 -1.71 0.00 0.00 55.69 52.30 2e5s s MET 48 Cb 0.36 -5.20 -0.03 0.00 2.01 0.00 0.00 34.83 31.97 2e5s s MET 48 CO -0.16 -1.94 -0.07 0.42 -0.01 0.00 0.00 175.02 173.26 2e5s s ILE 49 N 2.70 0.50 -0.23 2.53 1.01 -1.26 -4.86 121.20 121.58 2e5s s ILE 49 Ca 0.45 -1.20 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 2e5s s ILE 49 Cb -0.01 -0.74 -0.00 0.00 0.01 0.00 0.00 42.46 41.72 2e5s s ILE 49 CO 0.00 -0.49 -0.03 -1.81 0.00 0.00 0.00 174.94 172.61 2e5s s ASP 50 N -1.81 4.37 0.00 3.58 1.11 -1.26 -4.96 116.67 117.69 2e5s s ASP 50 Ca -0.07 -0.51 0.19 0.00 0.18 0.00 0.00 52.55 52.33 2e5s s ASP 50 Cb -0.07 -1.74 1.11 0.00 1.07 0.00 0.00 42.92 43.30 2e5s s ASP 50 CO -0.01 -0.06 1.55 0.35 1.18 0.00 0.00 175.17 178.19 2e5s n THR 51 N 4.78 0.00 -0.07 -1.27 -2.24 -1.26 0.20 114.28 114.42 2e5s n THR 51 Ca -0.18 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.39 2e5s n THR 51 Cb 0.50 -0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 68.06 2e5s n THR 51 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2e5s n SER 52 N -0.90 2.02 0.00 3.42 2.88 -1.26 -4.73 113.62 115.04 2e5s n SER 52 Ca 0.14 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2e5s n SER 52 Cb 0.06 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2e5s n SER 52 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2e5s n ASP 53 N -3.65 3.71 -2.94 -3.46 8.00 -1.17 -5.04 116.55 112.00 2e5s n ASP 53 Ca -0.39 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 54.91 2e5s n ASP 53 Cb 0.95 0.61 0.06 0.00 -0.02 0.00 0.00 41.12 42.73 2e5s n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2e5s n ASN 54 N -1.28 -5.58 -4.18 -2.24 5.15 0.55 -4.91 115.26 102.76 2e5s n ASN 54 Ca 0.00 -0.40 -0.23 0.00 -0.60 0.00 0.00 54.58 53.35 2e5s n ASN 54 Cb 0.13 -4.23 -0.14 0.00 -0.53 0.00 0.00 39.78 35.00 2e5s n ASN 54 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2e5s s THR 55 N -3.22 1.35 -0.07 -0.44 -4.23 -1.26 -0.95 115.64 106.81 2e5s s THR 55 Ca 0.44 -0.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.98 2e5s s THR 55 Cb -0.19 -1.18 -0.02 0.00 1.34 0.00 0.00 72.50 72.45 2e5s s THR 55 CO 0.54 0.17 -0.14 0.68 -0.54 0.00 0.00 174.62 175.33 2e5s s VAL 56 N -0.71 3.02 0.77 2.29 -7.23 -0.45 -4.53 120.40 113.57 2e5s s VAL 56 Ca 0.05 -0.72 -0.13 0.00 -1.81 0.00 0.00 61.98 59.37 2e5s s VAL 56 Cb -0.08 -2.21 0.06 0.00 0.56 0.00 0.00 36.38 34.72 2e5s s VAL 56 CO 0.01 0.57 1.15 0.42 -0.31 0.00 0.00 175.10 176.94 2e5s s THR 57 N -0.38 2.65 -0.10 5.32 -4.23 -1.26 -0.51 115.64 117.13 2e5s s THR 57 Ca 0.04 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 60.83 2e5s s THR 57 Cb -0.12 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 2e5s s THR 57 CO 0.02 -0.22 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.06 2e5s s VAL 58 N -2.41 3.07 -0.65 2.29 1.01 0.30 -2.68 120.40 121.33 2e5s s VAL 58 Ca 0.68 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 2e5s s VAL 58 Cb -0.23 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.90 2e5s s VAL 58 CO 0.50 0.55 1.51 0.00 0.00 0.00 0.00 175.10 177.65 2e5s h MET 60 N 11.90 -0.40 -0.19 0.00 4.05 -1.96 -2.29 114.93 126.03 2e5s h MET 60 Ca -0.27 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.21 2e5s h MET 60 Cb 1.10 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 31.92 2e5s h MET 60 CO 1.23 -0.27 -0.52 0.22 0.23 0.00 0.00 176.91 177.81 2e5s h ASP 61 N -0.42 -1.65 -0.96 1.39 3.58 -1.90 -1.46 116.42 114.99 2e5s h ASP 61 Ca 0.10 0.21 0.19 0.00 0.42 0.00 0.00 57.03 57.95 2e5s h ASP 61 Cb 0.61 0.66 -0.18 0.00 1.72 0.00 0.00 39.33 42.14 2e5s h ASP 61 CO -0.50 -0.46 -0.25 0.00 -2.88 0.00 0.00 179.24 175.16 2e5s n TYR 62 N -5.43 0.33 -0.29 0.28 9.36 -0.90 0.11 117.16 120.62 2e5s n TYR 62 Ca -0.05 1.18 0.11 0.00 3.32 0.00 0.00 57.90 62.46 2e5s n TYR 62 Cb 0.37 -1.05 0.26 0.00 -0.63 0.00 0.00 39.34 38.29 2e5s n TYR 62 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2e5s h ILE 63 N 0.00 0.44 0.00 2.97 1.08 -0.82 0.87 117.51 122.05 2e5s h ILE 63 Ca 0.46 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.81 2e5s h ILE 63 Cb 0.70 0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 34.55 2e5s h ILE 63 CO -0.99 0.06 -0.06 0.11 -0.69 0.00 0.00 178.15 176.57 2e5s h LYS 64 N 0.30 0.00 0.00 2.37 1.57 0.83 -3.46 116.57 118.18 2e5s h LYS 64 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2e5s h LYS 64 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2e5s h LYS 64 CO -0.56 0.06 0.00 0.41 -0.57 0.00 0.00 179.45 178.79 2e5s n GLY 65 N -1.08 2.10 2.84 3.86 0.00 0.30 -5.06 105.19 108.15 2e5s n GLY 65 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2e5s n GLY 65 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e5s s ARG 66 N -0.11 1.12 -0.62 1.61 1.70 -1.25 -4.96 118.95 116.44 2e5s s ARG 66 Ca 0.00 -0.93 -0.15 0.00 -0.47 0.00 0.00 55.73 54.18 2e5s s ARG 66 Cb 0.00 -2.36 0.16 0.00 -0.57 0.00 0.00 34.95 32.18 2e5s s ARG 66 CO 0.00 -0.74 0.57 0.00 -1.08 0.00 0.00 175.30 174.06 2e5s n MET 68 N 4.83 0.45 -1.51 0.00 2.81 -1.26 -4.88 117.12 117.56 2e5s n MET 68 Ca -0.05 0.02 -0.30 0.00 -1.81 0.00 0.00 57.70 55.56 2e5s n MET 68 Cb 0.42 -1.67 -0.17 0.00 -0.71 0.00 0.00 33.22 31.08 2e5s n MET 68 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2e5s n ARG 69 N -2.27 0.10 -1.26 0.03 1.74 -1.26 -4.77 116.66 108.96 2e5s n ARG 69 Ca 0.01 -0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.63 2e5s n ARG 69 Cb 0.50 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 30.41 2e5s n ARG 69 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2e5s n GLU 70 N 7.19 0.00 -3.52 5.56 4.71 -1.26 -0.16 120.64 133.16 2e5s n GLU 70 Ca 0.64 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 57.51 2e5s n GLU 70 Cb 0.14 -0.99 -0.05 0.00 -1.01 0.00 0.00 31.44 29.52 2e5s n GLU 70 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2e5s n LYS 71 N 1.43 -1.02 -1.42 3.49 5.02 -1.26 -4.64 118.16 119.75 2e5s n LYS 71 Ca 0.09 0.09 -0.51 0.00 -2.02 0.00 0.00 58.31 55.96 2e5s n LYS 71 Cb 0.44 -3.49 -0.08 0.00 -0.02 0.00 0.00 35.03 31.88 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e5s n LYS 73 N 8.15 3.87 -3.50 0.00 -0.00 -1.26 -4.95 118.16 120.47 2e5s n LYS 73 Ca 0.44 -2.79 -0.30 0.00 -0.00 0.00 0.00 58.31 55.66 2e5s n LYS 73 Cb 0.20 -2.16 -0.04 0.00 -0.00 0.00 0.00 35.03 33.03 2e5s n LYS 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2e5s s TYR 74 N -2.68 3.47 0.20 5.58 1.51 -1.26 -5.02 117.35 119.14 2e5s s TYR 74 Ca 0.49 0.61 -0.30 0.00 -1.01 0.00 0.00 57.07 56.87 2e5s s TYR 74 Cb 0.39 -2.06 -0.08 0.00 -0.11 0.00 0.00 41.96 40.09 2e5s s TYR 74 CO 0.13 0.29 1.08 0.12 -1.11 0.00 0.00 175.55 176.06 2e5s s PHE 75 N -1.90 3.63 -0.47 2.71 5.36 -1.09 -4.79 117.98 121.43 2e5s s PHE 75 Ca 0.43 1.65 -0.08 0.00 -0.96 0.00 0.00 56.93 57.96 2e5s s PHE 75 Cb -0.11 -3.25 0.12 0.00 -0.34 0.00 0.00 43.02 39.44 2e5s s PHE 75 CO 0.27 -0.49 0.33 -1.01 -1.46 0.00 0.00 175.22 172.87 2e5s s HIS 76 N -0.47 3.45 0.86 10.12 3.76 -1.26 -3.15 115.29 128.60 2e5s s HIS 76 Ca 0.48 -1.96 -0.11 0.00 -0.15 0.00 0.00 55.06 53.31 2e5s s HIS 76 Cb -0.29 -3.47 0.11 0.00 1.11 0.00 0.00 32.58 30.04 2e5s s HIS 76 CO 0.36 -0.99 1.09 -1.25 -0.85 0.00 0.00 174.74 173.10 2e5s s PRO 77 N 1.29 1.56 1.25 8.40 0.04 -1.26 -5.05 135.00 141.24 2e5s s PRO 77 Ca 0.06 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 61.82 2e5s s PRO 77 Cb -0.26 -1.84 0.31 0.00 0.04 0.00 0.00 34.50 32.76 2e5s s PRO 77 CO -0.01 -2.06 1.11 -0.35 0.04 0.00 0.00 177.00 175.72 2e5s n PRO 78 N -3.77 -3.19 0.07 0.56 -0.04 -1.26 -4.69 135.00 122.67 2e5s n PRO 78 Ca 0.08 -1.77 -0.03 0.00 -0.04 0.00 0.00 63.50 61.74 2e5s n PRO 78 Cb 0.55 -1.66 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 2e5s n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e5s h ALA 79 N -2.76 -0.89 -0.75 0.55 0.00 -1.97 0.92 119.26 114.35 2e5s h ALA 79 Ca -0.42 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.59 2e5s h ALA 79 Cb 1.27 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.99 2e5s h ALA 79 CO 0.27 -0.88 -0.23 -2.39 0.00 0.00 0.00 179.25 176.02 2e5s n HIS 80 N -2.52 0.17 0.28 0.00 1.44 -1.26 -0.17 115.22 113.17 2e5s n HIS 80 Ca -0.02 0.92 -0.15 0.00 -2.01 0.00 0.00 57.72 56.46 2e5s n HIS 80 Cb 0.07 -0.88 -0.08 0.00 0.12 0.00 0.00 29.99 29.22 2e5s n HIS 80 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2e5s h LEU 81 N 0.00 -0.61 -0.91 2.39 3.38 -1.92 -3.00 115.31 114.64 2e5s h LEU 81 Ca 0.32 -0.05 0.36 0.00 0.09 0.00 0.00 57.88 58.60 2e5s h LEU 81 Cb 0.51 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.28 2e5s h LEU 81 CO -0.77 -0.28 0.53 0.00 0.09 0.00 0.00 178.44 178.01 2e5s n GLN 82 N -5.31 -0.04 -0.02 1.13 6.02 0.77 0.17 117.38 120.09 2e5s n GLN 82 Ca -0.11 1.11 -0.11 0.00 -0.01 0.00 0.00 57.00 57.87 2e5s n GLN 82 Cb 0.33 -2.04 -0.06 0.00 1.02 0.00 0.00 30.24 29.49 2e5s n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2e5s h ALA 83 N 1.55 0.13 -0.88 -1.58 0.00 -1.19 -0.71 119.26 116.58 2e5s h ALA 83 Ca 0.71 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.77 2e5s h ALA 83 Cb 1.99 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 19.59 2e5s h ALA 83 CO -0.56 -0.30 0.16 0.87 0.00 0.00 0.00 179.25 179.42 2e5s h LYS 84 N 0.03 0.14 -0.01 0.00 1.57 0.17 0.20 116.57 118.66 2e5s h LYS 84 Ca 0.03 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 2e5s h LYS 84 Cb 0.14 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.42 2e5s h LYS 84 CO -0.00 0.09 -0.40 0.82 -0.57 0.00 0.00 179.45 179.39 2e5s h ILE 85 N 0.14 1.48 -0.69 1.86 5.03 -1.42 -3.30 117.51 120.62 2e5s h ILE 85 Ca 0.55 -1.96 0.14 0.00 -0.12 0.00 0.00 64.86 63.46 2e5s h ILE 85 Cb 1.10 2.62 -0.10 0.00 -3.03 0.00 0.00 36.82 37.41 2e5s h ILE 85 CO -0.71 0.55 0.19 0.11 -0.68 0.00 0.00 178.15 177.61 2e5s h LYS 86 N -0.28 0.30 -0.68 2.37 1.57 0.53 -1.66 116.57 118.71 2e5s h LYS 86 Ca -0.05 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.84 2e5s h LYS 86 Cb 1.12 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.24 2e5s h LYS 86 CO 0.08 0.20 -0.29 0.00 -0.57 0.00 0.00 179.45 178.87 2e5s h ALA 87 N 1.54 0.16 -0.88 3.86 0.00 -0.78 0.28 119.26 123.44 2e5s h ALA 87 Ca 0.37 0.22 0.19 0.00 0.00 0.00 0.00 54.91 55.69 2e5s h ALA 87 Cb 0.59 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 2e5s h ALA 87 CO -0.44 -0.58 0.42 0.00 0.00 0.00 0.00 179.25 178.65 2e5s h ALA 88 N 1.29 1.39 -0.42 0.00 0.00 -1.42 0.34 119.26 120.44 2e5s h ALA 88 Ca 0.29 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 2e5s h ALA 88 Cb 0.55 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2e5s h ALA 88 CO -0.74 -0.24 -0.19 1.96 0.00 0.00 0.00 179.25 180.04 2e5s h GLN 89 N 0.49 0.87 -0.55 0.00 7.50 -0.50 -3.13 115.11 119.78 2e5s h GLN 89 Ca 0.53 -0.37 0.06 0.00 0.50 0.00 0.00 58.65 59.36 2e5s h GLN 89 Cb 0.91 -0.03 -0.05 0.00 0.05 0.00 0.00 27.48 28.36 2e5s h GLN 89 CO -0.46 1.01 0.26 1.25 -1.50 0.00 0.00 178.83 179.39 2e5s h HIS 90 N 0.69 0.47 -0.62 2.96 2.76 0.73 -2.20 115.15 119.94 2e5s h HIS 90 Ca 0.09 0.02 -0.35 0.00 -2.20 0.00 0.00 60.37 57.93 2e5s h HIS 90 Cb 0.75 -0.13 -0.13 0.00 1.55 0.00 0.00 27.41 29.44 2e5s h HIS 90 CO 0.06 0.20 0.21 1.04 -1.30 0.00 0.00 177.93 178.14 2e5s n GLN 91 N -4.90 2.06 0.08 5.26 3.00 -0.59 -4.40 117.38 117.88 2e5s n GLN 91 Ca 0.06 -1.70 -0.21 0.00 -0.01 0.00 0.00 57.00 55.14 2e5s n GLN 91 Cb 0.18 -1.90 -0.14 0.00 0.00 0.00 0.00 30.24 28.38 2e5s n GLN 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2e5s h ALA 92 N 2.46 -0.06 -2.87 -1.58 0.00 -1.48 -3.45 119.26 112.29 2e5s h ALA 92 Ca 0.30 -0.74 -0.64 0.00 0.00 0.00 0.00 54.91 53.83 2e5s h ALA 92 Cb 0.95 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 2e5s h ALA 92 CO 0.65 0.54 -0.45 1.21 0.00 0.00 0.00 179.25 181.20 2e5s s ASN 93 N -7.23 6.37 0.16 0.00 3.84 -1.26 -5.10 114.94 111.73 2e5s s ASN 93 Ca -0.11 0.44 0.01 0.00 0.21 0.00 0.00 52.86 53.41 2e5s s ASN 93 Cb 0.03 -2.10 -0.04 0.00 -0.55 0.00 0.00 41.25 38.60 2e5s s ASN 93 CO 0.89 0.31 0.31 -1.58 -2.79 0.00 0.00 177.10 174.24 2e5s s GLN 94 N -0.49 3.46 -0.09 0.43 0.74 -1.26 -4.99 119.66 117.46 2e5s s GLN 94 Ca 0.14 -0.51 -0.03 0.00 0.05 0.00 0.00 55.36 55.01 2e5s s GLN 94 Cb -0.12 -2.93 -0.09 0.00 1.10 0.00 0.00 33.01 30.97 2e5s s GLN 94 CO 0.03 0.49 2.81 0.00 -0.55 0.00 0.00 175.29 178.07 2e5s n ALA 95 N -0.52 5.47 -2.05 1.58 0.00 -1.26 -4.88 120.51 118.85 2e5s n ALA 95 Ca -0.06 -1.37 -0.19 0.00 0.00 0.00 0.00 53.44 51.83 2e5s n ALA 95 Cb 0.54 -1.76 0.03 0.00 0.00 0.00 0.00 19.45 18.25 2e5s n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5s s ALA 96 N 0.02 4.57 -0.19 0.00 0.00 -1.26 -5.08 121.76 119.82 2e5s s ALA 96 Ca 0.40 -1.86 -0.15 0.00 0.00 0.00 0.00 51.96 50.35 2e5s s ALA 96 Cb 0.21 -1.48 -0.10 0.00 0.00 0.00 0.00 23.12 21.76 2e5s s ALA 96 CO -0.03 -0.52 -0.14 0.28 0.00 0.00 0.00 175.76 175.35 2e5s n VAL 97 N -1.98 1.49 -1.25 0.00 0.31 -1.26 -5.26 118.33 110.37 2e5s n VAL 97 Ca 0.10 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 2e5s n VAL 97 Cb 0.60 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 2e5s n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51