#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 5.36 0.36 1.61 0.01 -1.26 -4.72 113.70 115.05 1x2p s SER 2 Ca 0.00 -1.92 0.00 0.00 1.31 0.00 0.00 55.95 55.34 1x2p s SER 2 Cb 0.00 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1x2p s SER 2 CO 0.00 -0.56 0.00 -1.20 0.41 0.00 0.00 173.24 171.89 1x2p n SER 3 N 4.68 -3.25 0.00 2.44 7.64 -1.26 -5.08 113.62 118.79 1x2p n SER 3 Ca -0.05 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1x2p n SER 3 Cb 0.41 3.13 0.00 0.00 -1.01 0.00 0.00 64.21 66.74 1x2p n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2p n GLY 4 N -1.44 -0.11 3.74 0.23 0.00 -1.26 -5.16 105.19 101.18 1x2p n GLY 4 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1x2p n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x2p s SER 5 N 0.00 5.38 -0.33 1.61 0.15 -1.26 -5.09 113.70 114.16 1x2p s SER 5 Ca 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1x2p s SER 5 Cb 0.00 -1.42 0.08 0.00 -1.71 0.00 0.00 66.02 62.97 1x2p s SER 5 CO 0.00 0.20 0.05 -0.44 1.20 0.00 0.00 173.24 174.24 1x2p s SER 6 N -2.19 4.87 -0.17 5.45 0.01 -1.26 -5.05 113.70 115.36 1x2p s SER 6 Ca 0.27 -1.72 -0.35 0.00 1.31 0.00 0.00 55.95 55.45 1x2p s SER 6 Cb -0.12 -1.69 0.15 0.00 0.21 0.00 0.00 66.02 64.57 1x2p s SER 6 CO 0.19 -0.35 1.39 -0.83 0.41 0.00 0.00 173.24 174.05 1x2p s GLY 7 N 1.28 -0.36 -0.26 3.44 0.00 -1.26 -4.94 107.32 105.22 1x2p s GLY 7 Ca 0.02 1.36 -0.05 0.00 0.00 0.00 0.00 44.72 46.04 1x2p s GLY 7 CO -0.04 0.38 0.02 -0.54 0.00 0.00 0.00 173.10 172.91 1x2p s GLU 8 N -2.09 3.22 0.08 2.90 0.41 -1.24 -4.94 118.70 117.05 1x2p s GLU 8 Ca 0.13 -0.75 -0.30 0.00 -0.41 0.00 0.00 54.97 53.65 1x2p s GLU 8 Cb 0.04 -3.20 -0.05 0.00 -1.78 0.00 0.00 34.13 29.14 1x2p s GLU 8 CO -0.05 -0.32 0.95 -2.00 -0.49 0.00 0.00 175.26 173.35 1x2p s GLU 9 N 1.48 4.65 0.07 1.61 2.12 -1.26 0.37 118.70 127.74 1x2p s GLU 9 Ca 0.04 1.42 -0.01 0.00 0.36 0.00 0.00 54.97 56.78 1x2p s GLU 9 Cb -0.16 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1x2p s GLU 9 CO -0.00 0.15 -0.00 -0.06 -0.54 0.00 0.00 175.26 174.81 1x2p s PHE 10 N 0.25 0.60 -0.03 5.30 0.40 0.35 -4.95 117.98 119.90 1x2p s PHE 10 Ca 0.48 -1.10 0.08 0.00 -0.60 0.00 0.00 56.93 55.78 1x2p s PHE 10 Cb -0.23 -0.41 -0.02 0.00 0.51 0.00 0.00 43.02 42.88 1x2p s PHE 10 CO 0.29 -0.42 -0.25 0.08 0.70 0.00 0.00 175.22 175.62 1x2p s VAL 11 N -3.95 2.02 -0.13 -0.44 1.01 -1.26 0.17 120.40 117.83 1x2p s VAL 11 Ca 0.11 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 1x2p s VAL 11 Cb 0.08 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 1x2p s VAL 11 CO -0.07 0.57 1.28 0.00 0.00 0.00 0.00 175.10 176.88 1x2p s ALA 12 N -0.52 3.62 -2.01 5.51 0.00 -1.08 -1.48 121.76 125.80 1x2p s ALA 12 Ca 0.07 0.54 0.27 0.00 0.00 0.00 0.00 51.96 52.84 1x2p s ALA 12 Cb -0.11 -3.61 1.58 0.00 0.00 0.00 0.00 23.12 20.98 1x2p s ALA 12 CO -0.00 -1.09 2.02 0.44 0.00 0.00 0.00 175.76 177.12 1x2p n ILE 13 N 5.19 0.00 -3.57 0.00 -5.35 0.49 0.23 119.36 116.35 1x2p n ILE 13 Ca 0.13 -0.01 -0.07 0.00 -0.27 0.00 0.00 62.75 62.54 1x2p n ILE 13 Cb 0.45 -0.40 -0.03 0.00 -1.74 0.00 0.00 39.64 37.92 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 -2.00 -1.98 0.17 -1.28 0.00 -1.23 -4.94 121.76 110.50 1x2p s ALA 14 Ca 0.40 1.50 -0.30 0.00 0.00 0.00 0.00 51.96 53.56 1x2p s ALA 14 Cb 0.18 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 1x2p s ALA 14 CO 0.31 -0.48 1.11 0.16 0.00 0.00 0.00 175.76 176.86 1x2p s ASP 15 N -1.78 7.24 0.25 0.00 -4.77 -1.26 -3.78 116.67 112.57 1x2p s ASP 15 Ca 0.05 2.09 0.07 0.00 -3.30 0.00 0.00 52.55 51.45 1x2p s ASP 15 Cb -0.01 -2.60 -0.05 0.00 -1.09 0.00 0.00 42.92 39.17 1x2p s ASP 15 CO -0.04 -0.25 -0.07 -0.47 0.70 0.00 0.00 175.17 175.03 1x2p s TYR 16 N -0.11 1.84 -0.14 2.11 5.04 -0.78 -4.92 117.35 120.39 1x2p s TYR 16 Ca 0.50 -0.69 -0.04 0.00 -2.44 0.00 0.00 57.07 54.40 1x2p s TYR 16 Cb -0.29 -1.00 0.06 0.00 0.35 0.00 0.00 41.96 41.07 1x2p s TYR 16 CO 0.34 0.26 0.11 0.00 -1.34 0.00 0.00 175.55 174.93 1x2p s ALA 17 N -3.05 0.22 0.20 3.97 0.00 -1.26 -3.56 121.76 118.27 1x2p s ALA 17 Ca 0.27 -0.03 -0.33 0.00 0.00 0.00 0.00 51.96 51.87 1x2p s ALA 17 Cb 0.03 -0.98 -0.14 0.00 0.00 0.00 0.00 23.12 22.03 1x2p s ALA 17 CO 0.10 -0.99 1.39 0.00 0.00 0.00 0.00 175.76 176.27 1x2p n ALA 18 N 5.29 0.61 0.31 0.00 0.00 -1.26 -4.87 120.51 120.59 1x2p n ALA 18 Ca -0.06 0.44 0.11 0.00 0.00 0.00 0.00 53.44 53.93 1x2p n ALA 18 Cb 0.49 -2.22 -0.15 0.00 0.00 0.00 0.00 19.45 17.57 1x2p n ALA 18 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x2p n THR 19 N 2.21 0.00 -4.75 0.00 -2.24 -1.26 -4.98 114.28 103.26 1x2p n THR 19 Ca 0.14 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 1x2p n THR 19 Cb 0.28 0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 1x2p n THR 19 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x2p s ASP 20 N -4.01 4.10 -0.12 3.42 2.15 -1.26 -5.02 116.67 115.93 1x2p s ASP 20 Ca -0.03 -1.63 0.11 0.00 0.43 0.00 0.00 52.55 51.43 1x2p s ASP 20 Cb 0.14 0.44 0.53 0.00 -0.30 0.00 0.00 42.92 43.73 1x2p s ASP 20 CO 0.89 -0.82 1.36 -1.84 -0.17 0.00 0.00 175.17 174.59 1x2p n GLU 21 N -1.23 3.25 -0.36 4.34 0.28 -1.26 -3.71 120.64 121.95 1x2p n GLU 21 Ca -0.18 -2.06 0.05 0.00 -0.16 0.00 0.00 57.16 54.81 1x2p n GLU 21 Cb 0.67 -1.85 0.08 0.00 1.43 0.00 0.00 31.44 31.77 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 0.58 1.01 -4.57 3.84 -2.24 -1.26 -5.06 114.28 106.58 1x2p n THR 22 Ca 0.18 -1.30 -0.26 0.00 -2.27 0.00 0.00 64.05 60.41 1x2p n THR 22 Cb 0.77 0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.53 1.87 0.05 -0.78 -0.21 -1.24 -0.65 119.66 117.16 1x2p s GLN 23 Ca 0.19 -2.05 0.09 0.00 0.02 0.00 0.00 55.36 53.61 1x2p s GLN 23 Cb 0.17 -1.41 -0.03 0.00 1.00 0.00 0.00 33.01 32.74 1x2p s GLN 23 CO 0.00 -0.09 -0.26 -0.51 -2.12 0.00 0.00 175.29 172.31 1x2p s LEU 24 N -3.64 2.17 -0.09 2.90 1.43 -1.02 -4.73 118.68 115.70 1x2p s LEU 24 Ca 0.35 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1x2p s LEU 24 Cb 0.10 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1x2p s LEU 24 CO 0.17 0.25 -0.10 -0.44 0.23 0.00 0.00 176.35 176.46 1x2p s SER 25 N -1.26 4.34 0.32 2.29 0.01 -1.26 -4.23 113.70 113.91 1x2p s SER 25 Ca 0.11 -0.15 -0.04 0.00 1.31 0.00 0.00 55.95 57.18 1x2p s SER 25 Cb -0.10 -1.24 -0.00 0.00 0.21 0.00 0.00 66.02 64.89 1x2p s SER 25 CO 0.02 0.29 0.46 0.72 0.41 0.00 0.00 173.24 175.14 1x2p s PHE 26 N -0.40 0.98 0.14 2.43 -0.12 -1.23 -5.00 117.98 114.77 1x2p s PHE 26 Ca 0.05 -1.22 0.11 0.00 -0.05 0.00 0.00 56.93 55.82 1x2p s PHE 26 Cb -0.12 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.16 1x2p s PHE 26 CO 0.02 -1.09 -0.26 -1.17 -0.05 0.00 0.00 175.22 172.67 1x2p s LEU 27 N -3.20 2.33 -0.46 -1.99 2.96 -1.26 -1.87 118.68 115.19 1x2p s LEU 27 Ca 0.30 -0.76 -0.37 0.00 -0.22 0.00 0.00 54.13 53.07 1x2p s LEU 27 Cb -0.00 -1.20 -0.14 0.00 0.50 0.00 0.00 46.19 45.35 1x2p s LEU 27 CO 0.18 0.17 2.23 -1.14 -1.32 0.00 0.00 176.35 176.47 1x2p n ARG 28 N 0.84 0.64 0.00 1.98 0.63 -1.25 0.41 116.66 119.91 1x2p n ARG 28 Ca -0.17 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1x2p n ARG 28 Cb 0.53 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.33 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 6.83 3.12 3.42 5.14 0.00 0.14 -4.89 105.19 118.94 1x2p n GLY 29 Ca 0.48 -1.10 -0.55 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 -2.47 1.61 -0.58 0.17 -4.23 120.64 115.14 1x2p n GLU 30 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 1x2p n GLU 30 Cb 0.00 -1.35 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 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 -0.25 3.31 -0.13 3.49 3.01 -1.26 -2.63 119.74 125.28 1x2p s LYS 31 Ca 0.83 0.25 -0.08 0.00 -1.01 0.00 0.00 55.97 55.96 1x2p s LYS 31 Cb -1.17 -4.12 -0.04 0.00 -1.01 0.00 0.00 37.83 31.50 1x2p s LYS 31 CO 0.56 -1.95 0.15 0.42 0.51 0.00 0.00 175.35 175.04 1x2p s ILE 32 N 5.80 5.47 -0.13 2.17 -1.09 0.46 -4.85 121.20 129.03 1x2p s ILE 32 Ca 0.46 0.23 -0.10 0.00 -2.23 0.00 0.00 60.65 59.02 1x2p s ILE 32 Cb -0.09 -3.43 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 1x2p s ILE 32 CO 0.23 0.58 0.20 -0.22 -1.23 0.00 0.00 174.94 174.50 1x2p s LEU 33 N -0.75 4.34 -0.93 2.97 1.98 -1.26 0.13 118.68 125.16 1x2p s LEU 33 Ca 0.14 0.49 -0.02 0.00 -2.89 0.00 0.00 54.13 51.84 1x2p s LEU 33 Cb -0.12 -2.19 0.24 0.00 0.66 0.00 0.00 46.19 44.78 1x2p s LEU 33 CO 0.03 0.30 0.87 -0.38 -1.89 0.00 0.00 176.35 175.28 1x2p n ILE 34 N 2.55 3.33 -0.03 6.68 2.08 0.16 -2.83 119.36 131.30 1x2p n ILE 34 Ca -0.17 -5.20 -0.05 0.00 0.56 0.00 0.00 62.75 57.89 1x2p n ILE 34 Cb 0.53 -2.38 -0.03 0.00 -0.75 0.00 0.00 39.64 37.02 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 5.95 -0.58 -9.02 1.39 4.07 -1.29 -3.28 115.31 112.55 1x2p h LEU 35 Ca 0.17 0.07 -0.49 0.00 0.08 0.00 0.00 57.88 57.72 1x2p h LEU 35 Cb 0.80 0.23 -0.13 0.00 1.08 0.00 0.00 40.66 42.64 1x2p h LEU 35 CO 0.91 -0.14 -0.50 -0.13 -1.08 0.00 0.00 178.44 177.51 1x2p s ARG 36 N -3.84 1.79 -0.26 1.13 0.52 -0.80 -4.78 118.95 112.71 1x2p s ARG 36 Ca -0.05 -2.05 0.01 0.00 -0.52 0.00 0.00 55.73 53.13 1x2p s ARG 36 Cb 0.03 0.13 0.07 0.00 0.52 0.00 0.00 34.95 35.69 1x2p s ARG 36 CO 0.19 -0.61 -0.03 -0.65 0.02 0.00 0.00 175.30 174.22 1x2p s GLN 37 N -3.51 1.60 0.18 3.54 -0.21 -1.26 0.03 119.66 120.02 1x2p s GLN 37 Ca 0.37 -1.19 -0.26 0.00 0.02 0.00 0.00 55.36 54.31 1x2p s GLN 37 Cb 0.02 -2.67 0.05 0.00 1.00 0.00 0.00 33.01 31.41 1x2p s GLN 37 CO 0.25 -0.69 1.55 1.15 -2.12 0.00 0.00 175.29 175.43 1x2p h THR 38 N 6.66 0.03 0.00 -0.19 2.02 -1.41 -3.42 112.91 116.59 1x2p h THR 38 Ca -0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1x2p h THR 38 Cb 1.05 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1x2p h THR 38 CO 0.44 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.68 1x2p n THR 39 N -5.37 0.00 0.00 3.16 -2.24 -1.18 -5.04 114.28 103.62 1x2p n THR 39 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1x2p n THR 39 Cb 0.33 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1x2p n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x2p n ALA 40 N -2.75 0.00 0.01 6.98 0.00 -1.26 -4.97 120.51 118.53 1x2p n ALA 40 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1x2p n ALA 40 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1x2p n ALA 40 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1x2p h ASP 41 N 0.00 0.42 -3.44 0.00 3.32 -1.96 -3.43 116.42 111.33 1x2p h ASP 41 Ca 0.00 -0.88 -0.63 0.00 0.02 0.00 0.00 57.03 55.54 1x2p h ASP 41 Cb 0.00 -0.14 -0.20 0.00 0.22 0.00 0.00 39.33 39.22 1x2p h ASP 41 CO 0.00 1.73 -0.61 0.26 -1.72 0.00 0.00 179.24 178.90 1x2p s TRP 42 N -2.52 3.14 0.15 4.55 0.52 -1.26 0.25 118.94 123.77 1x2p s TRP 42 Ca -0.20 -0.19 0.08 0.00 0.02 0.00 0.00 56.10 55.81 1x2p s TRP 42 Cb 0.05 -2.12 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 1x2p s TRP 42 CO 0.77 -0.09 -0.11 -1.58 0.02 0.00 0.00 176.95 175.97 1x2p s TRP 43 N 0.87 2.65 -0.48 -1.98 0.51 0.41 -1.07 118.94 119.85 1x2p s TRP 43 Ca 0.03 -0.21 -0.16 0.00 -2.12 0.00 0.00 56.10 53.64 1x2p s TRP 43 Cb -0.14 -1.33 0.07 0.00 -0.81 0.00 0.00 33.47 31.26 1x2p s TRP 43 CO 0.02 0.47 0.40 -0.46 -0.51 0.00 0.00 176.95 176.88 1x2p s TRP 44 N -1.50 3.24 0.45 -1.98 -0.11 0.10 0.13 118.94 119.27 1x2p s TRP 44 Ca 0.23 -0.93 0.07 0.00 1.22 0.00 0.00 56.10 56.69 1x2p s TRP 44 Cb -0.10 -3.20 0.07 0.00 -1.50 0.00 0.00 33.47 28.75 1x2p s TRP 44 CO 0.14 -0.81 0.59 0.41 -4.62 0.00 0.00 176.95 172.67 1x2p n GLY 45 N 5.20 2.04 3.20 5.86 0.00 -0.42 -0.87 105.19 120.20 1x2p n GLY 45 Ca -0.12 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.59 1x2p n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x2p s GLU 46 N -4.01 0.28 0.31 1.61 2.12 -1.13 -2.88 118.70 115.00 1x2p s GLU 46 Ca 0.45 0.95 0.00 0.00 0.36 0.00 0.00 54.97 56.73 1x2p s GLU 46 Cb -0.04 0.23 0.06 0.00 0.26 0.00 0.00 34.13 34.64 1x2p s GLU 46 CO 0.29 -0.26 0.42 0.54 -0.54 0.00 0.00 175.26 175.71 1x2p n ARG 47 N 5.33 0.33 -1.57 4.30 5.12 0.35 -4.28 116.66 126.24 1x2p n ARG 47 Ca -0.09 -1.16 -0.38 0.00 -1.93 0.00 0.00 57.85 54.28 1x2p n ARG 47 Cb 0.50 -0.28 -0.03 0.00 -1.16 0.00 0.00 32.46 31.49 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 -2.92 2.00 0.00 7.54 0.00 -1.26 -1.28 121.76 125.84 1x2p s ALA 48 Ca 0.28 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1x2p s ALA 48 Cb -0.02 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1x2p s ALA 48 CO 0.19 -3.91 0.00 0.41 0.00 0.00 0.00 175.76 172.45 1x2p n GLY 49 N 5.93 0.09 3.60 0.00 0.00 -1.26 -4.93 105.19 108.61 1x2p n GLY 49 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 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 2.42 3.92 0.00 0.00 -1.14 -4.97 105.19 110.77 1x2p n GLY 52 Ca -0.05 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.46 3.53 -0.03 1.61 2.02 0.17 -1.30 117.35 119.89 1x2p s TYR 53 Ca 0.22 0.57 -0.10 0.00 -0.37 0.00 0.00 57.07 57.39 1x2p s TYR 53 Cb -0.01 -2.08 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 1x2p s TYR 53 CO 0.15 -0.05 0.21 0.96 -1.57 0.00 0.00 175.55 175.25 1x2p s ILE 54 N -2.50 0.05 0.78 2.71 -4.36 0.34 -2.43 121.20 115.80 1x2p s ILE 54 Ca 0.43 -0.45 -0.11 0.00 -0.26 0.00 0.00 60.65 60.26 1x2p s ILE 54 Cb -0.10 -0.46 0.06 0.00 1.25 0.00 0.00 42.46 43.21 1x2p s ILE 54 CO 0.40 -0.25 1.09 -2.16 0.24 0.00 0.00 174.94 174.26 1x2p s PRO 55 N -0.99 2.22 -0.80 0.37 0.04 -1.26 0.15 135.00 134.74 1x2p s PRO 55 Ca -0.11 0.68 -0.03 0.00 0.04 0.00 0.00 61.00 61.59 1x2p s PRO 55 Cb -0.05 -1.93 0.20 0.00 0.04 0.00 0.00 34.50 32.76 1x2p s PRO 55 CO 0.02 -1.54 0.66 0.00 0.04 0.00 0.00 177.00 176.18 1x2p s ALA 56 N -3.14 4.00 0.00 8.56 0.00 0.14 -4.43 121.76 126.88 1x2p s ALA 56 Ca 0.60 -3.61 0.00 0.00 0.00 0.00 0.00 51.96 48.95 1x2p s ALA 56 Cb -0.14 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1x2p s ALA 56 CO 0.54 -2.14 0.00 -1.71 0.00 0.00 0.00 175.76 172.45 1x2p n ASN 57 N 2.83 0.00 0.09 0.00 5.15 -1.26 -4.92 115.26 117.16 1x2p n ASN 57 Ca 0.16 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.11 1x2p n ASN 57 Cb 0.38 0.00 0.19 0.00 -0.53 0.00 0.00 39.78 39.81 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 0.27 -2.43 1.20 3.86 -1.95 -3.44 115.15 112.67 1x2p h HIS 58 Ca 0.00 -0.09 -0.53 0.00 -1.16 0.00 0.00 60.37 58.59 1x2p h HIS 58 Cb 0.00 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.36 1x2p h HIS 58 CO 0.00 0.67 -0.53 0.14 0.86 0.00 0.00 177.93 179.08 1x2p s VAL 59 N -3.98 4.62 0.00 2.45 -7.23 -1.26 0.19 120.40 115.19 1x2p s VAL 59 Ca -0.04 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 1x2p s VAL 59 Cb 0.13 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.63 1x2p s VAL 59 CO 0.78 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 1x2p n GLY 60 N -0.82 2.28 3.41 2.32 0.00 -0.55 -4.84 105.19 106.98 1x2p n GLY 60 Ca -0.08 0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1x2p n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x2p n LYS 61 N 14.00 -1.41 -2.46 1.61 3.00 -1.26 -4.09 118.16 127.55 1x2p n LYS 61 Ca 0.00 1.10 -0.05 0.00 -0.00 0.00 0.00 58.31 59.36 1x2p n LYS 61 Cb 0.00 -4.27 0.01 0.00 0.00 0.00 0.00 35.03 30.77 1x2p n LYS 61 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1x2p n HIS 62 N -2.37 -2.57 -2.07 5.64 -0.00 -1.26 -4.83 115.22 107.75 1x2p n HIS 62 Ca -0.13 1.05 -0.34 0.00 0.46 0.00 0.00 57.72 58.76 1x2p n HIS 62 Cb 0.59 -3.36 -0.04 0.00 -0.12 0.00 0.00 29.99 27.06 1x2p n HIS 62 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1x2p s SER 63 N -2.03 5.28 -0.35 0.26 0.01 -1.26 -4.93 113.70 110.68 1x2p s SER 63 Ca 0.16 -0.14 -0.29 0.00 1.31 0.00 0.00 55.95 56.98 1x2p s SER 63 Cb -0.04 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.65 1x2p s SER 63 CO 0.56 -2.48 1.22 -0.83 0.41 0.00 0.00 173.24 172.11 1x2p s GLY 64 N 7.84 1.38 -1.16 3.44 0.00 -1.26 -4.92 107.32 112.64 1x2p s GLY 64 Ca 0.67 -0.08 -0.19 0.00 0.00 0.00 0.00 44.72 45.12 1x2p s GLY 64 CO 0.11 2.49 1.97 -1.55 0.00 0.00 0.00 173.10 176.12 1x2p n PRO 65 N 7.37 2.26 -4.06 2.90 -0.04 -1.26 -4.85 135.00 137.32 1x2p n PRO 65 Ca 0.14 -2.49 -0.07 0.00 -0.04 0.00 0.00 63.50 61.03 1x2p n PRO 65 Cb 0.47 -3.31 -0.10 0.00 -0.04 0.00 0.00 33.50 30.52 1x2p n PRO 65 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x2p s SER 66 N 4.64 0.43 0.49 3.54 0.01 -1.26 -5.10 113.70 116.45 1x2p s SER 66 Ca 0.56 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1x2p s SER 66 Cb 0.09 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1x2p s SER 66 CO 0.06 -0.56 0.00 -1.20 0.41 0.00 0.00 173.24 171.95 1x2p n SER 67 N 0.34 -7.63 0.00 2.44 7.64 -1.26 -5.23 113.62 109.92 1x2p n SER 67 Ca -0.16 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1x2p n SER 67 Cb 0.60 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 59.54 1x2p n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64