#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2p s SER 2 N 0.00 -0.51 0.14 1.61 0.15 -1.26 -5.16 113.70 108.67 1x2p s SER 2 Ca 0.00 -0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.49 1x2p s SER 2 Cb 0.00 0.97 -0.06 0.00 -1.71 0.00 0.00 66.02 65.23 1x2p s SER 2 CO 0.00 -0.08 0.40 -0.94 1.20 0.00 0.00 173.24 173.82 1x2p s SER 3 N 2.43 6.52 0.00 5.45 1.04 -1.26 -5.05 113.70 122.83 1x2p s SER 3 Ca 0.20 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1x2p s SER 3 Cb -0.00 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1x2p s SER 3 CO -0.18 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1x2p n GLY 4 N 0.17 1.27 1.08 7.32 0.00 -1.26 -5.17 105.19 108.60 1x2p n GLY 4 Ca -0.03 -1.15 0.11 0.00 0.00 0.00 0.00 46.02 44.95 1x2p n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x2p n SER 5 N 0.00 -5.84 -3.12 1.61 2.88 -1.26 -5.00 113.62 102.89 1x2p n SER 5 Ca 0.00 1.13 0.03 0.00 -1.33 0.00 0.00 58.87 58.70 1x2p n SER 5 Cb 0.00 -3.64 -0.00 0.00 -0.75 0.00 0.00 64.21 59.82 1x2p n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x2p s SER 6 N -6.15 -1.20 0.29 -3.46 0.15 -1.26 -5.17 113.70 96.90 1x2p s SER 6 Ca 0.00 -0.15 0.08 0.00 0.70 0.00 0.00 55.95 56.58 1x2p s SER 6 Cb 0.00 1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 65.93 1x2p s SER 6 CO 0.00 -0.19 0.12 -0.83 1.20 0.00 0.00 173.24 173.55 1x2p s GLY 7 N 2.48 1.68 -0.36 9.45 0.00 -1.26 -4.90 107.32 114.41 1x2p s GLY 7 Ca 0.16 -1.64 -0.05 0.00 0.00 0.00 0.00 44.72 43.19 1x2p s GLY 7 CO -0.19 -1.64 0.12 -0.54 0.00 0.00 0.00 173.10 170.85 1x2p s GLU 8 N -3.80 2.40 0.07 2.90 2.02 -1.12 -4.91 118.70 116.26 1x2p s GLU 8 Ca 0.35 -1.41 -0.30 0.00 0.02 0.00 0.00 54.97 53.62 1x2p s GLU 8 Cb -0.06 -3.45 -0.06 0.00 0.10 0.00 0.00 34.13 30.66 1x2p s GLU 8 CO 0.23 -0.80 1.18 -2.00 0.02 0.00 0.00 175.26 173.89 1x2p s GLU 9 N 1.29 4.45 0.16 1.61 2.12 -1.26 0.17 118.70 127.24 1x2p s GLU 9 Ca 0.00 1.75 -0.00 0.00 0.36 0.00 0.00 54.97 57.08 1x2p s GLU 9 Cb -0.21 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 1x2p s GLU 9 CO -0.00 -0.22 0.07 -0.06 -0.54 0.00 0.00 175.26 174.50 1x2p s PHE 10 N 0.95 1.02 -0.01 5.30 0.40 0.24 -4.92 117.98 120.96 1x2p s PHE 10 Ca 0.58 -1.23 0.07 0.00 -0.60 0.00 0.00 56.93 55.74 1x2p s PHE 10 Cb -0.29 -0.56 -0.02 0.00 0.51 0.00 0.00 43.02 42.66 1x2p s PHE 10 CO 0.30 -0.49 -0.21 0.08 0.70 0.00 0.00 175.22 175.60 1x2p s VAL 11 N -3.99 1.65 -0.17 -0.44 1.01 -1.26 0.17 120.40 117.37 1x2p s VAL 11 Ca 0.28 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1x2p s VAL 11 Cb 0.07 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1x2p s VAL 11 CO 0.05 0.43 1.46 0.00 0.00 0.00 0.00 175.10 177.04 1x2p s ALA 12 N -0.53 3.52 -0.55 5.51 0.00 -1.16 -2.14 121.76 126.41 1x2p s ALA 12 Ca 0.08 0.54 0.21 0.00 0.00 0.00 0.00 51.96 52.79 1x2p s ALA 12 Cb -0.08 -3.73 0.91 0.00 0.00 0.00 0.00 23.12 20.22 1x2p s ALA 12 CO -0.00 -1.50 1.64 0.44 0.00 0.00 0.00 175.76 176.33 1x2p n ILE 13 N 5.77 0.92 -3.50 0.00 -5.35 0.33 -1.53 119.36 115.99 1x2p n ILE 13 Ca 0.16 0.30 -0.12 0.00 -0.27 0.00 0.00 62.75 62.83 1x2p n ILE 13 Cb 0.45 -1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 37.10 1x2p n ILE 13 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1x2p s ALA 14 N -3.28 -1.78 0.60 -1.28 0.00 -1.24 -4.95 121.76 109.84 1x2p s ALA 14 Ca 0.04 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 1x2p s ALA 14 Cb 0.09 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1x2p s ALA 14 CO 0.33 -0.57 1.21 -0.40 0.00 0.00 0.00 175.76 176.34 1x2p n ASP 15 N 0.15 1.86 -4.19 0.00 5.75 -1.26 -4.00 116.55 114.86 1x2p n ASP 15 Ca -0.13 0.87 -0.13 0.00 -0.01 0.00 0.00 54.79 55.39 1x2p n ASP 15 Cb 0.61 -1.51 -0.10 0.00 -1.03 0.00 0.00 41.12 39.08 1x2p n ASP 15 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1x2p s TYR 16 N -1.39 1.03 -0.25 2.11 6.14 -0.95 -4.88 117.35 119.16 1x2p s TYR 16 Ca 0.78 -0.78 -0.03 0.00 0.64 0.00 0.00 57.07 57.67 1x2p s TYR 16 Cb -0.40 -0.56 0.11 0.00 0.42 0.00 0.00 41.96 41.52 1x2p s TYR 16 CO 0.45 -0.04 0.21 0.00 0.64 0.00 0.00 175.55 176.81 1x2p s ALA 17 N -3.14 -0.05 0.18 3.97 0.00 -1.26 -4.11 121.76 117.36 1x2p s ALA 17 Ca 0.11 -0.33 -0.33 0.00 0.00 0.00 0.00 51.96 51.41 1x2p s ALA 17 Cb 0.02 -1.48 -0.14 0.00 0.00 0.00 0.00 23.12 21.52 1x2p s ALA 17 CO -0.02 -1.49 1.46 0.00 0.00 0.00 0.00 175.76 175.72 1x2p n ALA 18 N 5.30 0.87 1.04 0.00 0.00 -1.26 -4.86 120.51 121.59 1x2p n ALA 18 Ca -0.05 0.44 0.11 0.00 0.00 0.00 0.00 53.44 53.95 1x2p n ALA 18 Cb 0.46 -2.27 0.08 0.00 0.00 0.00 0.00 19.45 17.73 1x2p n ALA 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1x2p n THR 19 N 2.65 0.00 -4.37 0.00 -1.04 -1.26 -4.94 114.28 105.32 1x2p n THR 19 Ca 0.15 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.05 61.90 1x2p n THR 19 Cb 0.28 0.73 -0.10 0.00 -1.82 0.00 0.00 70.33 69.43 1x2p n THR 19 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1x2p s ASP 20 N -2.83 1.70 -0.13 8.00 1.01 -1.26 -5.03 116.67 118.13 1x2p s ASP 20 Ca 0.13 -1.50 0.11 0.00 0.71 0.00 0.00 52.55 52.00 1x2p s ASP 20 Cb 0.17 0.28 0.53 0.00 1.01 0.00 0.00 42.92 44.91 1x2p s ASP 20 CO 0.71 -0.81 1.34 -1.84 0.21 0.00 0.00 175.17 174.78 1x2p n GLU 21 N -0.60 3.31 -0.04 8.23 0.28 -1.26 -3.65 120.64 126.91 1x2p n GLU 21 Ca -0.01 -2.04 0.03 0.00 -0.16 0.00 0.00 57.16 54.99 1x2p n GLU 21 Cb 0.65 -1.88 0.05 0.00 1.43 0.00 0.00 31.44 31.69 1x2p n GLU 21 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1x2p n THR 22 N 0.53 1.24 -4.64 3.84 -2.24 -1.26 -5.04 114.28 106.70 1x2p n THR 22 Ca 0.18 -1.37 -0.29 0.00 -2.27 0.00 0.00 64.05 60.31 1x2p n THR 22 Cb 0.79 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 1x2p n THR 22 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1x2p s GLN 23 N -1.58 2.00 -0.04 -0.78 -0.21 -1.24 -2.51 119.66 115.30 1x2p s GLN 23 Ca 0.11 -2.19 0.04 0.00 0.02 0.00 0.00 55.36 53.34 1x2p s GLN 23 Cb 0.10 -1.44 -0.03 0.00 1.00 0.00 0.00 33.01 32.64 1x2p s GLN 23 CO 0.01 -0.20 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.33 1x2p s LEU 24 N -3.73 2.75 -0.15 2.90 1.43 -1.08 -4.77 118.68 116.03 1x2p s LEU 24 Ca 0.24 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1x2p s LEU 24 Cb 0.06 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 1x2p s LEU 24 CO 0.12 0.34 -0.05 -0.94 0.23 0.00 0.00 176.35 176.05 1x2p s SER 25 N -0.81 4.68 0.33 2.29 1.04 -1.26 -4.45 113.70 115.52 1x2p s SER 25 Ca 0.12 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.44 1x2p s SER 25 Cb -0.11 -1.72 -0.02 0.00 0.10 0.00 0.00 66.02 64.28 1x2p s SER 25 CO 0.01 0.18 0.34 0.72 0.98 0.00 0.00 173.24 175.48 1x2p s PHE 26 N 0.27 1.48 0.05 5.02 -0.12 -1.26 -5.03 117.98 118.39 1x2p s PHE 26 Ca -0.04 -1.52 0.07 0.00 -0.05 0.00 0.00 56.93 55.39 1x2p s PHE 26 Cb -0.14 -0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 41.74 1x2p s PHE 26 CO 0.03 -0.96 -0.20 -1.17 -0.05 0.00 0.00 175.22 172.88 1x2p s LEU 27 N -3.31 2.19 -0.43 -1.99 2.96 -1.26 -2.24 118.68 114.58 1x2p s LEU 27 Ca 0.37 -0.54 -0.41 0.00 -0.22 0.00 0.00 54.13 53.33 1x2p s LEU 27 Cb 0.02 -0.89 -0.17 0.00 0.50 0.00 0.00 46.19 45.65 1x2p s LEU 27 CO 0.24 0.12 2.05 -1.14 -1.32 0.00 0.00 176.35 176.31 1x2p n ARG 28 N 1.74 0.42 0.00 1.98 0.63 -1.26 0.84 116.66 121.02 1x2p n ARG 28 Ca -0.18 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1x2p n ARG 28 Cb 0.54 -1.83 0.00 0.00 0.45 0.00 0.00 32.46 31.61 1x2p n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x2p n GLY 29 N 6.51 1.33 3.59 5.14 0.00 -0.58 -4.89 105.19 116.28 1x2p n GLY 29 Ca 0.46 -0.31 -0.47 0.00 0.00 0.00 0.00 46.02 45.70 1x2p n GLY 29 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x2p n GLU 30 N 0.00 1.30 -2.55 1.61 -0.58 0.25 -4.54 120.64 116.13 1x2p n GLU 30 Ca 0.00 0.46 -0.41 0.00 -0.42 0.00 0.00 57.16 56.79 1x2p n GLU 30 Cb 0.00 -1.93 -0.03 0.00 -0.57 0.00 0.00 31.44 28.91 1x2p n GLU 30 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1x2p s LYS 31 N -0.74 3.31 -0.22 3.49 3.01 -1.26 -2.96 119.74 124.38 1x2p s LYS 31 Ca 0.68 -0.02 -0.15 0.00 -1.01 0.00 0.00 55.97 55.47 1x2p s LYS 31 Cb -0.79 -4.12 -0.04 0.00 -1.01 0.00 0.00 37.83 31.87 1x2p s LYS 31 CO 0.54 -1.98 0.34 0.42 0.51 0.00 0.00 175.35 175.19 1x2p s ILE 32 N 5.51 5.23 -0.29 2.17 -1.09 0.45 -4.84 121.20 128.34 1x2p s ILE 32 Ca 0.39 0.58 -0.22 0.00 -2.23 0.00 0.00 60.65 59.16 1x2p s ILE 32 Cb -0.08 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1x2p s ILE 32 CO 0.19 0.26 0.72 -0.22 -1.23 0.00 0.00 174.94 174.67 1x2p s LEU 33 N 1.32 4.10 -1.19 2.97 1.98 -1.26 0.82 118.68 127.42 1x2p s LEU 33 Ca 0.16 0.63 -0.12 0.00 -2.89 0.00 0.00 54.13 51.91 1x2p s LEU 33 Cb -0.15 -2.98 0.20 0.00 0.66 0.00 0.00 46.19 43.93 1x2p s LEU 33 CO 0.07 -0.53 1.40 -0.38 -1.89 0.00 0.00 176.35 175.02 1x2p n ILE 34 N 5.42 4.38 -0.03 6.68 2.08 0.46 -2.01 119.36 136.34 1x2p n ILE 34 Ca 0.02 -4.90 -0.03 0.00 0.56 0.00 0.00 62.75 58.39 1x2p n ILE 34 Cb 0.48 -2.48 -0.02 0.00 -0.75 0.00 0.00 39.64 36.88 1x2p n ILE 34 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1x2p h LEU 35 N 8.67 -0.41 -8.95 1.39 4.07 -1.41 -2.96 115.31 115.71 1x2p h LEU 35 Ca 0.29 0.05 -0.39 0.00 0.08 0.00 0.00 57.88 57.91 1x2p h LEU 35 Cb 0.84 0.17 -0.14 0.00 1.08 0.00 0.00 40.66 42.61 1x2p h LEU 35 CO 1.22 -0.09 -0.58 -0.13 -1.08 0.00 0.00 178.44 177.78 1x2p s ARG 36 N -3.59 1.53 -0.48 1.13 0.52 -0.65 -4.65 118.95 112.77 1x2p s ARG 36 Ca -0.03 -1.86 0.06 0.00 -0.52 0.00 0.00 55.73 53.38 1x2p s ARG 36 Cb 0.02 -0.15 0.23 0.00 0.52 0.00 0.00 34.95 35.57 1x2p s ARG 36 CO 0.14 -0.40 0.53 1.04 0.02 0.00 0.00 175.30 176.62 1x2p n GLN 37 N -0.54 1.10 -0.55 3.54 6.02 -1.26 0.86 117.38 126.54 1x2p n GLN 37 Ca 0.01 -3.64 0.44 0.00 -0.01 0.00 0.00 57.00 53.79 1x2p n GLN 37 Cb 0.65 -1.63 0.70 0.00 1.02 0.00 0.00 30.24 30.98 1x2p n GLN 37 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1x2p n THR 38 N 1.64 -0.11 -4.11 5.09 -1.04 -1.23 -4.52 114.28 109.99 1x2p n THR 38 Ca 0.25 1.52 -0.15 0.00 -2.04 0.00 0.00 64.05 63.62 1x2p n THR 38 Cb 0.48 -2.50 -0.04 0.00 -1.82 0.00 0.00 70.33 66.44 1x2p n THR 38 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1x2p s THR 39 N -4.90 0.00 -2.18 12.58 -4.23 -0.84 -5.02 115.64 111.05 1x2p s THR 39 Ca -0.06 -1.64 0.18 0.00 -1.18 0.00 0.00 61.69 58.99 1x2p s THR 39 Cb 0.27 -2.63 0.42 0.00 1.34 0.00 0.00 72.50 71.89 1x2p s THR 39 CO 0.79 0.00 1.43 0.00 -0.54 0.00 0.00 174.62 176.30 1x2p n ALA 40 N -0.57 2.47 0.00 3.99 0.00 -1.26 -4.01 120.51 121.12 1x2p n ALA 40 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1x2p n ALA 40 Cb 0.62 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1x2p n ALA 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x2p n ASP 41 N 0.62 3.02 -4.35 0.00 8.00 -1.26 -4.80 116.55 117.78 1x2p n ASP 41 Ca 0.16 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.32 1x2p n ASP 41 Cb 0.37 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.33 1x2p n ASP 41 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1x2p s TRP 42 N -1.95 2.88 0.16 1.24 0.52 -1.26 0.30 118.94 120.84 1x2p s TRP 42 Ca 0.00 -0.75 0.08 0.00 0.02 0.00 0.00 56.10 55.45 1x2p s TRP 42 Cb 0.00 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 1x2p s TRP 42 CO 0.00 -0.33 -0.09 -1.58 0.02 0.00 0.00 176.95 174.97 1x2p s TRP 43 N 0.77 2.68 -0.46 -1.98 0.51 0.50 -1.98 118.94 118.98 1x2p s TRP 43 Ca -0.04 -0.20 -0.14 0.00 -2.12 0.00 0.00 56.10 53.60 1x2p s TRP 43 Cb -0.15 -1.33 0.08 0.00 -0.81 0.00 0.00 33.47 31.26 1x2p s TRP 43 CO 0.01 0.49 0.36 -0.46 -0.51 0.00 0.00 176.95 176.85 1x2p s TRP 44 N -1.60 3.27 0.52 -1.98 -0.11 0.25 0.13 118.94 119.42 1x2p s TRP 44 Ca 0.24 -1.10 0.09 0.00 1.22 0.00 0.00 56.10 56.55 1x2p s TRP 44 Cb -0.09 -3.12 0.06 0.00 -1.50 0.00 0.00 33.47 28.81 1x2p s TRP 44 CO 0.15 -0.81 0.69 0.20 -4.62 0.00 0.00 176.95 172.56 1x2p s GLY 45 N 2.48 1.84 -0.10 5.86 0.00 -0.67 -1.18 107.32 115.55 1x2p s GLY 45 Ca 0.04 -1.95 -0.04 0.00 0.00 0.00 0.00 44.72 42.77 1x2p s GLY 45 CO 0.05 -1.63 0.20 1.85 0.00 0.00 0.00 173.10 173.56 1x2p s GLU 46 N -4.53 0.08 0.22 2.90 2.12 -0.85 -2.81 118.70 115.83 1x2p s GLU 46 Ca 0.58 0.62 -0.01 0.00 0.36 0.00 0.00 54.97 56.52 1x2p s GLU 46 Cb -0.07 -0.19 0.05 0.00 0.26 0.00 0.00 34.13 34.18 1x2p s GLU 46 CO 0.36 -0.29 0.31 0.54 -0.54 0.00 0.00 175.26 175.64 1x2p n ARG 47 N 5.26 0.31 -1.74 4.30 5.12 -0.66 -4.23 116.66 125.02 1x2p n ARG 47 Ca -0.06 -0.78 -0.39 0.00 -1.93 0.00 0.00 57.85 54.68 1x2p n ARG 47 Cb 0.50 -0.22 -0.03 0.00 -1.16 0.00 0.00 32.46 31.55 1x2p n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x2p s ALA 48 N -3.01 2.18 0.00 7.54 0.00 -1.26 -1.78 121.76 125.42 1x2p s ALA 48 Ca 0.20 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1x2p s ALA 48 Cb -0.01 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.88 1x2p s ALA 48 CO 0.13 -3.69 0.00 0.41 0.00 0.00 0.00 175.76 172.62 1x2p n GLY 49 N 5.79 0.07 3.65 0.00 0.00 -1.26 -4.94 105.19 108.51 1x2p n GLY 49 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 1x2p n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2p n GLY 52 N 5.35 2.41 3.96 0.00 0.00 -1.12 -4.98 105.19 110.80 1x2p n GLY 52 Ca -0.05 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 1x2p n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x2p s TYR 53 N -3.45 3.46 0.01 1.61 2.02 -1.05 -1.67 117.35 118.29 1x2p s TYR 53 Ca 0.22 0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 56.93 1x2p s TYR 53 Cb -0.01 -1.65 -0.00 0.00 -0.40 0.00 0.00 41.96 39.90 1x2p s TYR 53 CO 0.16 0.39 0.10 0.96 -1.57 0.00 0.00 175.55 175.59 1x2p s ILE 54 N -2.01 0.10 0.97 2.71 -4.36 0.35 -2.62 121.20 116.34 1x2p s ILE 54 Ca 0.35 -0.79 -0.14 0.00 -0.26 0.00 0.00 60.65 59.81 1x2p s ILE 54 Cb -0.09 -0.47 0.17 0.00 1.25 0.00 0.00 42.46 43.32 1x2p s ILE 54 CO 0.30 -0.44 1.16 -2.16 0.24 0.00 0.00 174.94 174.05 1x2p s PRO 55 N -1.58 0.67 -0.59 0.37 0.04 -1.26 0.19 135.00 132.83 1x2p s PRO 55 Ca -0.14 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.04 1x2p s PRO 55 Cb -0.07 -1.80 0.15 0.00 0.04 0.00 0.00 34.50 32.82 1x2p s PRO 55 CO 0.00 -2.48 0.37 0.00 0.04 0.00 0.00 177.00 174.93 1x2p s ALA 56 N -3.34 3.50 0.00 8.56 0.00 0.15 -4.44 121.76 126.19 1x2p s ALA 56 Ca 0.67 -3.40 0.00 0.00 0.00 0.00 0.00 51.96 49.22 1x2p s ALA 56 Cb -0.12 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1x2p s ALA 56 CO 0.54 -2.06 0.00 -1.71 0.00 0.00 0.00 175.76 172.53 1x2p n ASN 57 N 2.95 0.00 0.20 0.00 5.15 -1.26 -4.87 115.26 117.42 1x2p n ASN 57 Ca 0.09 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.15 1x2p n ASN 57 Cb 0.34 0.00 0.34 0.00 -0.53 0.00 0.00 39.78 39.93 1x2p n ASN 57 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1x2p h HIS 58 N 0.00 0.00 -3.48 1.20 3.86 -1.95 -3.44 115.15 111.34 1x2p h HIS 58 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1x2p h HIS 58 Cb 0.00 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.31 1x2p h HIS 58 CO 0.00 0.30 -0.74 0.14 0.86 0.00 0.00 177.93 178.49 1x2p s VAL 59 N -3.50 3.30 0.00 2.45 -7.23 -1.26 0.12 120.40 114.28 1x2p s VAL 59 Ca 0.01 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1x2p s VAL 59 Cb 0.10 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.48 1x2p s VAL 59 CO 0.67 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 176.14 1x2p n GLY 60 N 0.59 3.78 3.65 2.32 0.00 -0.91 -4.87 105.19 109.75 1x2p n GLY 60 Ca -0.13 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1x2p n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x2p s LYS 61 N -1.09 3.93 -1.21 1.61 2.47 -1.26 -4.60 119.74 119.58 1x2p s LYS 61 Ca 0.00 2.48 -0.04 0.00 -1.56 0.00 0.00 55.97 56.85 1x2p s LYS 61 Cb 0.00 -4.21 0.20 0.00 -1.46 0.00 0.00 37.83 32.36 1x2p s LYS 61 CO 0.00 -1.20 2.13 1.58 0.16 0.00 0.00 175.35 178.02 1x2p n HIS 62 N 8.43 2.66 -3.36 4.03 -0.00 -1.26 -4.80 115.22 120.92 1x2p n HIS 62 Ca 0.22 -2.72 -0.31 0.00 0.46 0.00 0.00 57.72 55.36 1x2p n HIS 62 Cb 0.42 -1.61 0.03 0.00 -0.12 0.00 0.00 29.99 28.71 1x2p n HIS 62 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1x2p n SER 63 N 1.26 -6.08 -1.47 0.26 2.88 -1.26 -4.61 113.62 104.61 1x2p n SER 63 Ca 0.54 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1x2p n SER 63 Cb 0.26 -2.56 0.00 0.00 -0.75 0.00 0.00 64.21 61.16 1x2p n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2p n GLY 64 N -0.27 -4.73 3.78 0.46 0.00 -1.26 -5.00 105.19 98.17 1x2p n GLY 64 Ca -0.04 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1x2p n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2p s PRO 65 N -1.77 0.78 0.01 1.61 0.04 -1.26 -5.01 135.00 129.40 1x2p s PRO 65 Ca 0.00 0.15 -0.26 0.00 0.04 0.00 0.00 61.00 60.94 1x2p s PRO 65 Cb 0.00 -1.81 -0.15 0.00 0.04 0.00 0.00 34.50 32.59 1x2p s PRO 65 CO 0.00 -2.42 1.09 0.77 0.04 0.00 0.00 177.00 176.48 1x2p h SER 66 N -1.65 -0.74 -3.37 6.66 0.02 -1.94 -3.42 113.55 109.11 1x2p h SER 66 Ca -0.49 0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 59.80 1x2p h SER 66 Cb 1.31 0.19 -0.32 0.00 0.14 0.00 0.00 62.40 63.73 1x2p h SER 66 CO 0.55 -0.36 -0.77 -0.44 -1.14 0.00 0.00 176.83 174.67 1x2p s SER 67 N -4.55 3.98 0.00 3.07 0.01 -1.26 -5.31 113.70 109.64 1x2p s SER 67 Ca -0.14 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1x2p s SER 67 Cb 0.01 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.62 1x2p s SER 67 CO 0.42 -0.07 0.23 0.61 0.41 0.00 0.00 173.24 174.85