#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5s n SER 2 N 0.00 -3.32 -4.78 1.61 2.88 -1.26 -4.92 113.62 103.83 2e5s n SER 2 Ca 0.00 -0.91 -0.39 0.00 -1.33 0.00 0.00 58.87 56.24 2e5s n SER 2 Cb 0.00 -3.34 -0.06 0.00 -0.75 0.00 0.00 64.21 60.06 2e5s n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e5s s SER 3 N -3.53 7.21 0.00 -3.46 1.04 -1.26 -5.04 113.70 108.66 2e5s s SER 3 Ca 0.55 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.42 2e5s s SER 3 Cb -0.29 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2e5s s SER 3 CO 0.88 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.88 2e5s n GLY 4 N 1.91 0.97 3.56 7.32 0.00 -1.26 -5.08 105.19 112.61 2e5s n GLY 4 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 2e5s n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e5s s SER 5 N -1.00 -0.83 -0.07 1.61 0.15 -1.26 -5.16 113.70 107.14 2e5s s SER 5 Ca 0.00 1.18 0.01 0.00 0.70 0.00 0.00 55.95 57.84 2e5s s SER 5 Cb 0.00 1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 66.09 2e5s s SER 5 CO 0.00 -0.17 -0.08 -0.55 1.20 0.00 0.00 173.24 173.64 2e5s s SER 6 N 2.37 4.59 0.00 5.45 0.15 -1.26 -5.02 113.70 119.99 2e5s s SER 6 Ca -0.06 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2e5s s SER 6 Cb -0.08 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2e5s s SER 6 CO -0.18 0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2e5s n GLY 7 N 2.27 0.06 3.95 9.45 0.00 -1.26 -5.16 105.19 114.51 2e5s n GLY 7 Ca -0.18 0.52 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 2e5s n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e5s s SER 8 N 2.00 6.30 -0.19 1.61 1.04 -1.26 -5.10 113.70 118.10 2e5s s SER 8 Ca 0.00 0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.44 2e5s s SER 8 Cb 0.00 -1.87 -0.05 0.00 0.10 0.00 0.00 66.02 64.20 2e5s s SER 8 CO 0.00 0.00 0.18 0.42 0.98 0.00 0.00 173.24 174.83 2e5s s THR 9 N -1.84 5.37 -0.89 2.02 -4.23 -1.26 -5.02 115.64 109.79 2e5s s THR 9 Ca 0.34 0.30 -0.25 0.00 -1.18 0.00 0.00 61.69 60.90 2e5s s THR 9 Cb -0.10 -3.52 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 2e5s s THR 9 CO 0.29 0.41 1.73 0.00 -0.54 0.00 0.00 174.62 176.50 2e5s s ALA 10 N 0.48 2.14 0.28 3.99 0.00 -1.26 -4.84 121.76 122.55 2e5s s ALA 10 Ca 0.10 -1.63 -0.01 0.00 0.00 0.00 0.00 51.96 50.43 2e5s s ALA 10 Cb -0.12 -4.49 0.62 0.00 0.00 0.00 0.00 23.12 19.13 2e5s s ALA 10 CO 0.00 -4.20 1.64 1.79 0.00 0.00 0.00 175.76 174.99 2e5s h THR 11 N 6.97 0.31 -4.82 0.00 1.35 -2.04 -3.43 112.91 111.26 2e5s h THR 11 Ca 0.05 -0.06 -0.43 0.00 -0.55 0.00 0.00 66.41 65.43 2e5s h THR 11 Cb 1.03 0.13 -0.13 0.00 -1.73 0.00 0.00 68.15 67.45 2e5s h THR 11 CO 1.29 0.03 -0.49 -1.10 -0.25 0.00 0.00 175.52 174.99 2e5s s GLN 12 N -6.00 1.68 -0.61 4.72 -0.21 -1.26 -5.11 119.66 112.87 2e5s s GLN 12 Ca -0.13 -1.95 0.05 0.00 0.02 0.00 0.00 55.36 53.36 2e5s s GLN 12 Cb 0.25 0.32 0.18 0.00 1.00 0.00 0.00 33.01 34.76 2e5s s GLN 12 CO 0.77 -0.62 0.49 0.36 -2.12 0.00 0.00 175.29 174.16 2e5s n LYS 13 N -0.57 1.44 -3.52 2.91 0.00 -1.26 -5.07 118.16 112.09 2e5s n LYS 13 Ca 0.06 -4.11 -0.17 0.00 -0.00 0.00 0.00 58.31 54.10 2e5s n LYS 13 Cb 0.63 -2.07 -0.06 0.00 -0.00 0.00 0.00 35.03 33.53 2e5s n LYS 13 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2e5s s LEU 14 N -1.18 -0.62 0.16 -5.58 2.34 -1.26 -5.18 118.68 107.36 2e5s s LEU 14 Ca 0.29 0.62 -0.19 0.00 0.06 0.00 0.00 54.13 54.91 2e5s s LEU 14 Cb 0.01 2.47 0.05 0.00 -0.56 0.00 0.00 46.19 48.16 2e5s s LEU 14 CO -0.16 -0.61 0.51 -1.48 -1.06 0.00 0.00 176.35 173.55 2e5s s LEU 15 N -1.33 -0.07 0.15 1.48 -0.00 -1.26 -5.17 118.68 112.49 2e5s s LEU 15 Ca -0.09 -0.23 0.03 0.00 -0.00 0.00 0.00 54.13 53.84 2e5s s LEU 15 Cb -0.00 2.23 -0.04 0.00 -0.00 0.00 0.00 46.19 48.38 2e5s s LEU 15 CO 0.07 -0.95 0.23 -0.13 -0.00 0.00 0.00 176.35 175.57 2e5s s ARG 16 N -3.80 3.26 -0.06 1.48 3.00 -1.26 -5.02 118.95 116.54 2e5s s ARG 16 Ca 0.04 -0.69 0.11 0.00 0.00 0.00 0.00 55.73 55.19 2e5s s ARG 16 Cb -0.00 -2.86 -0.16 0.00 0.00 0.00 0.00 34.95 31.93 2e5s s ARG 16 CO -0.10 0.51 0.14 -2.37 0.00 0.00 0.00 175.30 173.48 2e5s n THR 17 N -0.48 0.40 -1.19 0.02 5.66 -1.26 -4.60 114.28 112.83 2e5s n THR 17 Ca -0.07 -0.37 -0.19 0.00 -3.05 0.00 0.00 64.05 60.36 2e5s n THR 17 Cb 0.54 -0.27 -0.06 0.00 -1.55 0.00 0.00 70.33 68.99 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 -2.17 6.09 -4.01 1.09 5.68 -1.26 -4.86 116.55 117.11 2e5s n ASP 18 Ca -0.10 -2.95 -0.10 0.00 -0.50 0.00 0.00 54.79 51.14 2e5s n ASP 18 Cb 0.60 -1.24 -0.11 0.00 -1.14 0.00 0.00 41.12 39.23 2e5s n ASP 18 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2e5s s LYS 19 N -0.95 0.40 -0.04 0.11 -2.85 -1.26 0.61 119.74 115.76 2e5s s LYS 19 Ca 0.51 -0.70 -0.01 0.00 -1.00 0.00 0.00 55.97 54.78 2e5s s LYS 19 Cb 0.31 -0.00 0.03 0.00 -2.06 0.00 0.00 37.83 36.11 2e5s s LYS 19 CO -0.11 -0.02 0.03 -0.51 0.10 0.00 0.00 175.35 174.83 2e5s s LEU 20 N -1.60 0.74 -0.04 2.77 1.43 -0.16 -4.90 118.68 116.92 2e5s s LEU 20 Ca -0.13 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 2e5s s LEU 20 Cb -0.09 -0.18 -0.05 0.00 0.03 0.00 0.00 46.19 45.90 2e5s s LEU 20 CO -0.01 -0.17 1.43 -1.61 0.23 0.00 0.00 176.35 176.22 2e5s s GLU 21 N 1.52 4.25 0.06 1.70 8.01 -1.26 -1.10 118.70 131.88 2e5s s GLU 21 Ca -0.03 1.96 -0.31 0.00 0.01 0.00 0.00 54.97 56.61 2e5s s GLU 21 Cb -0.13 -3.69 -0.06 0.00 -4.31 0.00 0.00 34.13 25.94 2e5s s GLU 21 CO -0.03 -0.65 1.24 0.08 0.01 0.00 0.00 175.26 175.90 2e5s s VAL 22 N 2.92 3.92 0.56 2.63 1.01 -0.65 -2.67 120.40 128.13 2e5s s VAL 22 Ca 0.64 1.37 -0.21 0.00 0.00 0.00 0.00 61.98 63.79 2e5s s VAL 22 Cb -0.30 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2e5s s VAL 22 CO 0.25 0.10 1.29 0.00 0.00 0.00 0.00 175.10 176.74 2e5s n ARG 24 N -1.19 0.73 0.30 0.00 1.74 -1.26 -4.10 116.66 112.87 2e5s n ARG 24 Ca 0.11 0.28 -0.16 0.00 -0.77 0.00 0.00 57.85 57.31 2e5s n ARG 24 Cb 0.47 -1.69 -0.09 0.00 -1.02 0.00 0.00 32.46 30.13 2e5s n ARG 24 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2e5s h GLU 25 N -0.05 -0.70 -0.93 5.56 5.08 -1.96 -2.89 114.58 118.68 2e5s h GLU 25 Ca -0.43 0.05 0.27 0.00 -1.00 0.00 0.00 59.36 58.25 2e5s h GLU 25 Cb 1.95 0.16 -0.16 0.00 0.50 0.00 0.00 28.75 31.20 2e5s h GLU 25 CO 0.04 -0.45 0.23 0.35 -1.00 0.00 0.00 179.01 178.19 2e5s h PHE 26 N -0.79 0.33 -0.54 4.33 3.57 -1.85 0.16 116.94 122.15 2e5s h PHE 26 Ca -0.07 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.58 2e5s h PHE 26 Cb 0.58 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.22 2e5s h PHE 26 CO -0.03 -0.31 -0.29 1.96 -2.23 0.00 0.00 178.31 177.41 2e5s h GLN 27 N 0.13 -0.15 -0.89 1.11 4.20 -1.66 0.51 115.11 118.36 2e5s h GLN 27 Ca 0.61 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 59.22 2e5s h GLN 27 Cb 1.32 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 29.07 2e5s h GLN 27 CO -0.74 -0.10 0.15 2.89 -0.67 0.00 0.00 178.83 180.35 2e5s n ARG 28 N -5.43 2.30 -3.86 1.46 1.85 0.42 -4.87 116.66 108.52 2e5s n ARG 28 Ca 0.04 -1.48 -0.26 0.00 -1.00 0.00 0.00 57.85 55.14 2e5s n ARG 28 Cb 0.34 -1.73 0.02 0.00 -1.05 0.00 0.00 32.46 30.04 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 0.03 -0.36 0.16 2.89 0.00 0.18 -4.88 105.19 103.20 2e5s n GLY 29 Ca 0.20 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.93 2.55 -4.65 1.61 2.85 -0.28 -4.96 115.26 109.45 2e5s n ASN 30 Ca -0.15 -0.02 -0.49 0.00 -0.11 0.00 0.00 54.58 53.81 2e5s n ASN 30 Cb 0.61 -0.26 -0.05 0.00 1.24 0.00 0.00 39.78 41.32 2e5s n ASN 30 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2e5s n ALA 32 N 3.73 2.27 0.24 0.00 0.00 -1.26 -4.38 120.51 121.11 2e5s n ALA 32 Ca 0.19 -0.60 0.10 0.00 0.00 0.00 0.00 53.44 53.13 2e5s n ALA 32 Cb 0.25 -0.40 0.56 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.38 0.00 3.08 -1.90 -3.49 114.38 108.70 2e5s h ARG 33 Ca -0.14 0.00 0.37 0.00 0.07 0.00 0.00 59.98 60.28 2e5s h ARG 33 Cb 1.15 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.05 2e5s h ARG 33 CO 0.01 0.20 -0.95 0.41 -1.07 0.00 0.00 179.97 178.57 2e5s n GLY 34 N -0.23 -2.74 0.00 0.04 0.00 -1.26 -0.62 105.19 100.37 2e5s n GLY 34 Ca -0.01 -1.09 0.01 0.00 0.00 0.00 0.00 46.02 44.93 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 -4.32 0.01 -0.08 1.61 0.28 -1.26 0.73 120.64 117.61 2e5s n GLU 35 Ca -0.05 0.40 -0.16 0.00 -0.16 0.00 0.00 57.16 57.20 2e5s n GLU 35 Cb 0.67 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.93 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 1.35 -0.48 3.84 1.35 -1.92 -3.37 112.91 113.68 2e5s h THR 36 Ca 0.00 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 2e5s h THR 36 Cb 0.03 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2e5s h THR 36 CO 0.00 0.46 0.00 -0.67 -0.25 0.00 0.00 175.52 175.06 2e5s n ASP 37 N -4.56 3.53 -4.44 5.36 2.03 0.20 -4.91 116.55 113.76 2e5s n ASP 37 Ca -0.17 -1.98 -0.33 0.00 0.52 0.00 0.00 54.79 52.83 2e5s n ASP 37 Cb 0.52 -0.31 -0.13 0.00 -0.72 0.00 0.00 41.12 40.47 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e5s h ARG 39 N 6.28 0.33 -6.85 0.00 0.11 -1.88 -3.43 114.38 108.95 2e5s h ARG 39 Ca -0.33 -0.10 -0.48 0.00 0.10 0.00 0.00 59.98 59.16 2e5s h ARG 39 Cb 1.19 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 2e5s h ARG 39 CO 0.56 0.53 0.37 -0.06 0.10 0.00 0.00 179.97 181.47 2e5s s PHE 40 N -4.57 3.71 0.25 4.08 0.40 -1.26 -4.93 117.98 115.66 2e5s s PHE 40 Ca -0.06 1.80 -0.30 0.00 -0.60 0.00 0.00 56.93 57.77 2e5s s PHE 40 Cb 0.15 -3.00 -0.09 0.00 0.51 0.00 0.00 43.02 40.58 2e5s s PHE 40 CO 0.76 0.09 0.97 0.00 0.70 0.00 0.00 175.22 177.74 2e5s s ALA 41 N -1.45 3.35 -0.46 5.36 0.00 -1.09 -4.62 121.76 122.85 2e5s s ALA 41 Ca 0.48 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 2e5s s ALA 41 Cb -0.22 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 19.78 2e5s s ALA 41 CO 0.28 0.14 0.33 -1.01 0.00 0.00 0.00 175.76 175.50 2e5s s HIS 42 N -1.17 3.42 0.23 0.00 3.76 -1.26 -2.70 115.29 117.58 2e5s s HIS 42 Ca 0.42 -1.86 -0.30 0.00 -0.15 0.00 0.00 55.06 53.17 2e5s s HIS 42 Cb -0.27 -3.42 -0.09 0.00 1.11 0.00 0.00 32.58 29.91 2e5s s HIS 42 CO 0.34 -0.98 1.28 -1.25 -0.85 0.00 0.00 174.74 173.28 2e5s s PRO 43 N 1.36 4.41 -0.19 8.40 0.04 -1.26 -4.96 135.00 142.80 2e5s s PRO 43 Ca 0.05 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.09 2e5s s PRO 43 Cb -0.26 -3.17 -0.21 0.00 0.04 0.00 0.00 34.50 30.90 2e5s s PRO 43 CO -0.01 -0.18 0.07 0.00 0.04 0.00 0.00 177.00 176.92 2e5s n ALA 44 N 2.14 1.10 -0.46 8.56 0.00 -1.26 -4.97 120.51 125.61 2e5s n ALA 44 Ca 0.04 -0.81 -0.28 0.00 0.00 0.00 0.00 53.44 52.39 2e5s n ALA 44 Cb 0.43 -0.39 0.27 0.00 0.00 0.00 0.00 19.45 19.76 2e5s n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2e5s s ASP 45 N -6.88 0.40 -0.25 0.00 1.01 -1.26 -5.00 116.67 104.69 2e5s s ASP 45 Ca -0.29 1.40 -0.14 0.00 0.71 0.00 0.00 52.55 54.24 2e5s s ASP 45 Cb 0.08 -2.16 -0.15 0.00 1.01 0.00 0.00 42.92 41.70 2e5s s ASP 45 CO 0.67 -4.54 -0.17 -1.20 0.21 0.00 0.00 175.17 170.13 2e5s n SER 46 N -5.14 1.95 -2.31 0.27 7.64 -1.26 -4.47 113.62 110.30 2e5s n SER 46 Ca 0.04 0.30 -0.22 0.00 1.01 0.00 0.00 58.87 59.99 2e5s n SER 46 Cb 0.55 -0.81 -0.08 0.00 -1.01 0.00 0.00 64.21 62.86 2e5s n SER 46 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2e5s n THR 47 N -4.14 3.18 0.00 0.44 -2.24 -1.26 -3.94 114.28 106.32 2e5s n THR 47 Ca -0.47 -2.49 0.00 0.00 -2.27 0.00 0.00 64.05 58.82 2e5s n THR 47 Cb 0.86 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 2e5s n THR 47 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2e5s n MET 48 N 1.24 1.33 -2.85 -0.78 0.00 -1.26 -5.04 117.12 109.76 2e5s n MET 48 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.78 2e5s n MET 48 Cb 0.64 -0.98 -0.06 0.00 0.00 0.00 0.00 33.22 32.82 2e5s n MET 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2e5s s ILE 49 N -1.96 4.27 -0.19 1.12 1.01 -1.25 -4.82 121.20 119.38 2e5s s ILE 49 Ca 0.00 1.75 -0.02 0.00 0.00 0.00 0.00 60.65 62.37 2e5s s ILE 49 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 2e5s s ILE 49 CO 0.00 0.20 -0.08 -0.62 0.00 0.00 0.00 174.94 174.44 2e5s s ASP 50 N -1.56 4.12 0.00 3.58 2.15 -1.26 -4.97 116.67 118.73 2e5s s ASP 50 Ca 0.47 -0.38 0.06 0.00 0.43 0.00 0.00 52.55 53.13 2e5s s ASP 50 Cb -0.19 -1.68 0.33 0.00 -0.30 0.00 0.00 42.92 41.09 2e5s s ASP 50 CO 0.24 0.05 1.06 0.35 -0.17 0.00 0.00 175.17 176.70 2e5s n THR 51 N 4.33 0.00 -0.09 1.71 -2.24 -1.26 0.40 114.28 117.12 2e5s n THR 51 Ca -0.18 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.40 2e5s n THR 51 Cb 0.51 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.60 2.02 0.00 3.42 2.88 -1.26 -4.81 113.62 115.26 2e5s n SER 52 Ca 0.04 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2e5s n SER 52 Cb 0.02 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 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 -3.41 2.20 -1.54 -3.46 8.00 -1.18 -5.06 116.55 112.10 2e5s n ASP 53 Ca -0.42 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.02 2e5s n ASP 53 Cb 0.99 0.19 0.02 0.00 -0.02 0.00 0.00 41.12 42.31 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 -1.32 -2.68 -4.03 -2.24 5.15 0.16 -4.97 115.26 105.35 2e5s n ASN 54 Ca 0.00 -0.17 -0.15 0.00 -0.60 0.00 0.00 54.58 53.66 2e5s n ASN 54 Cb 0.23 -1.82 -0.13 0.00 -0.53 0.00 0.00 39.78 37.53 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 -3.10 0.54 0.10 -0.44 -4.23 -1.26 -1.63 115.64 105.62 2e5s s THR 55 Ca 0.09 -0.72 0.06 0.00 -1.18 0.00 0.00 61.69 59.95 2e5s s THR 55 Cb -0.04 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 2e5s s THR 55 CO 0.21 -0.14 -0.07 0.68 -0.54 0.00 0.00 174.62 174.76 2e5s s VAL 56 N -0.81 3.57 0.53 2.29 -7.23 -0.26 -4.61 120.40 113.88 2e5s s VAL 56 Ca -0.04 -1.18 -0.17 0.00 -1.81 0.00 0.00 61.98 58.78 2e5s s VAL 56 Cb -0.06 -2.68 -0.07 0.00 0.56 0.00 0.00 36.38 34.12 2e5s s VAL 56 CO 0.00 0.11 1.01 -0.89 -0.31 0.00 0.00 175.10 175.03 2e5s s THR 57 N -1.25 4.19 -0.16 5.32 2.01 -1.26 -0.98 115.64 123.51 2e5s s THR 57 Ca 0.23 1.12 -0.01 0.00 0.31 0.00 0.00 61.69 63.33 2e5s s THR 57 Cb -0.11 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 2e5s s THR 57 CO 0.15 -0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.75 2e5s s VAL 58 N -2.44 3.14 -0.66 3.82 1.01 0.20 -2.29 120.40 123.18 2e5s s VAL 58 Ca 0.62 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 2e5s s VAL 58 Cb -0.13 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2e5s s VAL 58 CO 0.30 0.50 1.92 0.00 0.00 0.00 0.00 175.10 177.81 2e5s h MET 60 N 14.62 -0.21 -0.04 0.00 4.05 -1.94 -2.26 114.93 129.15 2e5s h MET 60 Ca -0.20 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.26 2e5s h MET 60 Cb 1.14 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.93 2e5s h MET 60 CO 1.21 -0.14 -0.51 -0.44 0.23 0.00 0.00 176.91 177.26 2e5s h ASP 61 N -0.22 -1.57 -0.95 1.39 5.19 -1.89 -1.67 116.42 116.70 2e5s h ASP 61 Ca 0.18 0.18 0.22 0.00 -0.62 0.00 0.00 57.03 56.99 2e5s h ASP 61 Cb 0.52 0.60 -0.18 0.00 0.18 0.00 0.00 39.33 40.45 2e5s h ASP 61 CO -0.54 -0.48 -0.12 0.22 -3.12 0.00 0.00 179.24 175.20 2e5s h TYR 62 N -0.61 -0.30 -0.76 4.55 3.20 -1.58 0.61 116.97 122.08 2e5s h TYR 62 Ca 0.02 0.08 0.17 0.00 3.14 0.00 0.00 58.73 62.13 2e5s h TYR 62 Cb 0.67 0.28 -0.11 0.00 1.54 0.00 0.00 36.73 39.11 2e5s h TYR 62 CO -0.53 -0.41 0.22 0.82 -1.64 0.00 0.00 178.16 176.62 2e5s h ILE 63 N 0.01 0.52 0.00 1.81 1.08 -0.79 0.60 117.51 120.74 2e5s h ILE 63 Ca 0.51 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.87 2e5s h ILE 63 Cb 0.90 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2e5s h ILE 63 CO -0.94 0.06 -0.02 0.11 -0.69 0.00 0.00 178.15 176.67 2e5s h LYS 64 N 0.30 0.00 0.00 2.37 1.57 0.41 -3.46 116.57 117.77 2e5s h LYS 64 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2e5s h LYS 64 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2e5s h LYS 64 CO -0.51 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 178.80 2e5s n GLY 65 N -1.21 1.86 2.83 3.86 0.00 0.21 -5.06 105.19 107.68 2e5s n GLY 65 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.18 1.03 -0.41 1.61 1.70 -1.24 -4.96 118.95 116.50 2e5s s ARG 66 Ca 0.00 -1.12 -0.06 0.00 -0.47 0.00 0.00 55.73 54.08 2e5s s ARG 66 Cb 0.00 -2.35 0.09 0.00 -0.57 0.00 0.00 34.95 32.13 2e5s s ARG 66 CO 0.00 -0.85 0.22 0.00 -1.08 0.00 0.00 175.30 173.59 2e5s n MET 68 N 4.75 0.70 -1.73 0.00 0.00 -1.26 -4.94 117.12 114.65 2e5s n MET 68 Ca -0.07 -2.44 -0.39 0.00 0.00 0.00 0.00 57.70 54.80 2e5s n MET 68 Cb 0.42 -0.78 0.04 0.00 0.00 0.00 0.00 33.22 32.90 2e5s n MET 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2e5s n ARG 69 N -0.31 1.71 -1.55 2.12 1.74 -1.26 -4.79 116.66 114.31 2e5s n ARG 69 Ca 0.11 0.62 -0.25 0.00 -0.77 0.00 0.00 57.85 57.56 2e5s n ARG 69 Cb 0.89 -2.51 -0.06 0.00 -1.02 0.00 0.00 32.46 29.76 2e5s n ARG 69 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2e5s n GLU 70 N -0.77 0.74 -2.88 5.56 2.13 -1.26 -2.08 120.64 122.08 2e5s n GLU 70 Ca 0.10 -0.39 -0.11 0.00 0.66 0.00 0.00 57.16 57.41 2e5s n GLU 70 Cb 0.44 -3.40 0.06 0.00 0.27 0.00 0.00 31.44 28.80 2e5s n GLU 70 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2e5s n LYS 71 N 8.77 -3.89 -1.60 5.31 0.00 -1.26 -4.88 118.16 120.60 2e5s n LYS 71 Ca 0.44 0.55 -0.56 0.00 0.00 0.00 0.00 58.31 58.74 2e5s n LYS 71 Cb 0.46 -4.61 -0.07 0.00 0.00 0.00 0.00 35.03 30.81 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e5s n LYS 73 N 2.87 1.42 -4.13 0.00 0.00 -1.26 -5.07 118.16 111.99 2e5s n LYS 73 Ca 0.21 -3.07 -0.22 0.00 -0.00 0.00 0.00 58.31 55.23 2e5s n LYS 73 Cb 0.13 -1.24 -0.05 0.00 -0.00 0.00 0.00 35.03 33.87 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 -2.40 3.07 0.33 5.58 1.51 -1.26 -5.02 117.35 119.16 2e5s s TYR 74 Ca 0.38 -0.11 -0.27 0.00 -1.01 0.00 0.00 57.07 56.05 2e5s s TYR 74 Cb 0.38 -1.39 -0.09 0.00 -0.11 0.00 0.00 41.96 40.75 2e5s s TYR 74 CO -0.08 0.53 1.07 0.12 -1.11 0.00 0.00 175.55 176.08 2e5s s PHE 75 N -2.12 3.46 -0.44 2.71 5.36 -0.97 -4.77 117.98 121.21 2e5s s PHE 75 Ca 0.32 1.69 -0.03 0.00 -0.96 0.00 0.00 56.93 57.96 2e5s s PHE 75 Cb -0.08 -3.19 0.12 0.00 -0.34 0.00 0.00 43.02 39.52 2e5s s PHE 75 CO 0.24 -0.53 0.23 -1.01 -1.46 0.00 0.00 175.22 172.70 2e5s s HIS 76 N -1.39 3.57 1.00 10.12 3.76 -1.26 -2.97 115.29 128.11 2e5s s HIS 76 Ca 0.50 -2.48 -0.12 0.00 -0.15 0.00 0.00 55.06 52.81 2e5s s HIS 76 Cb -0.27 -3.21 0.19 0.00 1.11 0.00 0.00 32.58 30.40 2e5s s HIS 76 CO 0.34 -0.95 1.09 -1.25 -0.85 0.00 0.00 174.74 173.12 2e5s s PRO 77 N 0.96 0.42 1.19 8.40 0.04 -1.26 -5.05 135.00 139.71 2e5s s PRO 77 Ca 0.10 0.52 -0.20 0.00 0.04 0.00 0.00 61.00 61.45 2e5s s PRO 77 Cb -0.22 -1.74 0.30 0.00 0.04 0.00 0.00 34.50 32.88 2e5s s PRO 77 CO -0.04 -2.74 1.06 -0.35 0.04 0.00 0.00 177.00 174.97 2e5s n PRO 78 N -4.18 -3.09 0.31 0.56 -0.04 -1.26 -4.68 135.00 122.62 2e5s n PRO 78 Ca 0.05 -1.69 -0.12 0.00 -0.04 0.00 0.00 63.50 61.69 2e5s n PRO 78 Cb 0.57 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.72 -1.01 -0.91 0.55 0.00 -1.96 0.87 119.26 114.08 2e5s h ALA 79 Ca -0.40 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.51 2e5s h ALA 79 Cb 1.22 0.31 -0.17 0.00 0.00 0.00 0.00 17.79 19.15 2e5s h ALA 79 CO 0.26 -0.95 -0.26 1.12 0.00 0.00 0.00 179.25 179.43 2e5s h HIS 80 N -0.97 -0.59 0.52 0.00 -0.00 -1.95 -0.85 115.15 111.31 2e5s h HIS 80 Ca -0.08 0.08 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 2e5s h HIS 80 Cb 0.62 0.40 0.01 0.00 -0.00 0.00 0.00 27.41 28.44 2e5s h HIS 80 CO 0.05 -0.39 -0.25 -0.07 -0.00 0.00 0.00 177.93 177.26 2e5s h LEU 81 N -0.01 -0.59 -0.96 6.12 3.38 -1.93 -2.95 115.31 118.37 2e5s h LEU 81 Ca 0.42 -0.06 0.36 0.00 0.09 0.00 0.00 57.88 58.69 2e5s h LEU 81 Cb 0.65 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.43 2e5s h LEU 81 CO -0.93 -0.27 0.58 0.00 0.09 0.00 0.00 178.44 177.91 2e5s n GLN 82 N -5.31 -0.04 -0.04 1.13 6.02 0.30 0.19 117.38 119.64 2e5s n GLN 82 Ca -0.11 1.05 -0.14 0.00 -0.01 0.00 0.00 57.00 57.79 2e5s n GLN 82 Cb 0.32 -1.98 -0.08 0.00 1.02 0.00 0.00 30.24 29.52 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 1.42 0.14 -0.93 -1.58 0.00 -1.23 -2.97 119.26 114.13 2e5s h ALA 83 Ca 0.69 -0.35 0.27 0.00 0.00 0.00 0.00 54.91 55.52 2e5s h ALA 83 Cb 2.05 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 19.65 2e5s h ALA 83 CO -0.49 0.05 0.18 0.87 0.00 0.00 0.00 179.25 179.87 2e5s h LYS 84 N -0.18 0.11 0.19 0.00 6.56 0.23 0.41 116.57 123.89 2e5s h LYS 84 Ca 0.01 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 2e5s h LYS 84 Cb 0.73 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 2e5s h LYS 84 CO 0.04 0.07 -0.09 0.82 -2.06 0.00 0.00 179.45 178.22 2e5s h ILE 85 N 0.11 0.90 -0.94 1.86 5.03 -1.52 -3.16 117.51 119.80 2e5s h ILE 85 Ca 0.60 -0.77 0.25 0.00 -0.12 0.00 0.00 64.86 64.81 2e5s h ILE 85 Cb 1.26 1.34 -0.13 0.00 -3.03 0.00 0.00 36.82 36.26 2e5s h ILE 85 CO -0.76 0.17 0.45 0.11 -0.68 0.00 0.00 178.15 177.43 2e5s h LYS 86 N -0.66 0.38 -0.74 2.37 1.57 -0.83 -0.50 116.57 118.15 2e5s h LYS 86 Ca -0.03 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.87 2e5s h LYS 86 Cb 0.47 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.56 2e5s h LYS 86 CO 0.04 0.25 -0.29 0.00 -0.57 0.00 0.00 179.45 178.89 2e5s h ALA 87 N 1.75 0.22 -0.94 3.86 0.00 -1.02 0.45 119.26 123.58 2e5s h ALA 87 Ca 0.61 0.24 0.19 0.00 0.00 0.00 0.00 54.91 55.95 2e5s h ALA 87 Cb 1.22 0.75 -0.11 0.00 0.00 0.00 0.00 17.79 19.65 2e5s h ALA 87 CO -0.55 -0.56 0.52 0.00 0.00 0.00 0.00 179.25 178.66 2e5s h ALA 88 N 1.38 1.54 0.20 0.00 0.00 -1.19 -2.54 119.26 118.65 2e5s h ALA 88 Ca 0.31 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2e5s h ALA 88 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2e5s h ALA 88 CO -0.79 -0.14 -0.10 1.96 0.00 0.00 0.00 179.25 180.18 2e5s h GLN 89 N 0.64 -0.26 -4.88 0.00 7.50 -0.32 -3.42 115.11 114.37 2e5s h GLN 89 Ca 0.56 0.02 -0.69 0.00 0.50 0.00 0.00 58.65 59.03 2e5s h GLN 89 Cb 0.91 0.06 -0.19 0.00 0.05 0.00 0.00 27.48 28.31 2e5s h GLN 89 CO -0.42 0.10 -0.05 -1.01 -1.50 0.00 0.00 178.83 175.95 2e5s s HIS 90 N -3.19 3.10 -0.32 2.96 3.76 0.71 -5.00 115.29 117.31 2e5s s HIS 90 Ca -0.11 -0.53 -0.35 0.00 -0.15 0.00 0.00 55.06 53.92 2e5s s HIS 90 Cb 0.00 -3.34 -0.16 0.00 1.11 0.00 0.00 32.58 30.20 2e5s s HIS 90 CO 0.39 -0.92 1.17 1.04 -0.85 0.00 0.00 174.74 175.56 2e5s n GLN 91 N 5.93 0.00 -3.96 1.40 1.13 -1.24 -4.47 117.38 116.17 2e5s n GLN 91 Ca -0.07 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.64 2e5s n GLN 91 Cb 0.46 -1.16 -0.10 0.00 0.11 0.00 0.00 30.24 29.54 2e5s n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2e5s s ALA 92 N 1.92 3.38 -0.70 -1.58 0.00 -1.26 -5.00 121.76 118.52 2e5s s ALA 92 Ca 0.80 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 2e5s s ALA 92 Cb -1.13 -1.97 0.42 0.00 0.00 0.00 0.00 23.12 20.45 2e5s s ALA 92 CO 0.60 0.06 2.04 -1.71 0.00 0.00 0.00 175.76 176.75 2e5s n ASN 93 N 3.79 7.65 -4.23 0.00 5.15 -1.26 -4.93 115.26 121.43 2e5s n ASN 93 Ca -0.16 -3.79 -0.27 0.00 -0.60 0.00 0.00 54.58 49.76 2e5s n ASN 93 Cb 0.52 -1.00 -0.16 0.00 -0.53 0.00 0.00 39.78 38.61 2e5s n ASN 93 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2e5s s GLN 94 N -3.84 1.71 -0.82 1.20 0.74 -1.26 -5.08 119.66 112.31 2e5s s GLN 94 Ca 0.62 -0.77 -0.26 0.00 0.05 0.00 0.00 55.36 55.00 2e5s s GLN 94 Cb 0.49 -1.67 0.04 0.00 1.10 0.00 0.00 33.01 32.97 2e5s s GLN 94 CO -0.10 0.46 1.34 0.00 -0.55 0.00 0.00 175.29 176.44 2e5s s ALA 95 N -0.51 2.73 0.58 1.58 0.00 -1.26 -5.00 121.76 119.88 2e5s s ALA 95 Ca 0.08 -1.63 -0.18 0.00 0.00 0.00 0.00 51.96 50.22 2e5s s ALA 95 Cb -0.08 -4.34 -0.04 0.00 0.00 0.00 0.00 23.12 18.65 2e5s s ALA 95 CO -0.01 -3.40 1.14 0.00 0.00 0.00 0.00 175.76 173.50 2e5s s ALA 96 N 5.55 2.61 0.17 0.00 0.00 -1.26 -5.05 121.76 123.78 2e5s s ALA 96 Ca 0.39 0.81 0.09 0.00 0.00 0.00 0.00 51.96 53.25 2e5s s ALA 96 Cb -0.06 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2e5s s ALA 96 CO 0.07 -0.97 -0.19 0.14 0.00 0.00 0.00 175.76 174.82 2e5s s VAL 97 N -1.84 1.90 0.00 0.00 -7.23 -1.26 -5.31 120.40 106.66 2e5s s VAL 97 Ca 0.73 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2e5s s VAL 97 Cb -0.25 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.81 2e5s s VAL 97 CO 0.31 -0.29 0.39 0.00 -0.31 0.00 0.00 175.10 175.20