#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yus s SER 2 N 0.00 1.08 -0.29 1.61 0.15 -1.26 -5.13 113.70 109.87 2yus s SER 2 Ca 0.00 -0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.31 2yus s SER 2 Cb 0.00 -0.35 0.13 0.00 -1.71 0.00 0.00 66.02 64.09 2yus s SER 2 CO 0.00 0.03 0.93 -0.55 1.20 0.00 0.00 173.24 174.86 2yus s SER 3 N 0.36 -0.57 0.00 5.45 0.15 -1.26 -5.13 113.70 112.70 2yus s SER 3 Ca -0.05 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.55 2yus s SER 3 Cb -0.10 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 2yus s SER 3 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2yus n GLY 4 N 3.51 -1.28 0.78 9.45 0.00 -1.26 -5.08 105.19 111.31 2yus n GLY 4 Ca -0.18 0.87 -0.03 0.00 0.00 0.00 0.00 46.02 46.69 2yus n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yus n SER 5 N 0.00 0.74 -4.41 1.61 2.88 -1.26 -5.06 113.62 108.12 2yus n SER 5 Ca 0.00 0.03 -0.41 0.00 -1.33 0.00 0.00 58.87 57.16 2yus n SER 5 Cb 0.00 -0.07 0.01 0.00 -0.75 0.00 0.00 64.21 63.40 2yus n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yus n SER 6 N -3.04 -1.45 0.09 -3.46 2.88 -1.26 -4.82 113.62 102.56 2yus n SER 6 Ca -0.05 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 2yus n SER 6 Cb 0.54 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2yus n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yus n GLY 7 N 1.93 -1.78 3.03 0.46 0.00 -1.26 -5.09 105.19 102.48 2yus n GLY 7 Ca 0.11 0.51 -0.31 0.00 0.00 0.00 0.00 46.02 46.33 2yus n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yus s THR 8 N -1.60 2.30 -0.03 2.61 2.01 -1.26 -4.81 115.64 114.86 2yus s THR 8 Ca 0.00 -2.27 -0.03 0.00 0.31 0.00 0.00 61.69 59.69 2yus s THR 8 Cb 0.00 -2.67 -0.13 0.00 0.01 0.00 0.00 72.50 69.71 2yus s THR 8 CO 0.00 -0.55 2.88 0.18 -0.69 0.00 0.00 174.62 176.44 2yus n LEU 9 N 4.28 5.38 -4.57 4.42 4.32 -1.26 -4.82 117.00 124.75 2yus n LEU 9 Ca 0.02 -2.91 -0.38 0.00 -0.02 0.00 0.00 56.01 52.72 2yus n LEU 9 Cb 0.42 -1.28 -0.03 0.00 -1.62 0.00 0.00 43.42 40.91 2yus n LEU 9 CO 0.22 1.41 1.66 0.00 -1.22 0.00 0.00 177.39 179.46 2yus s ALA 10 N 0.37 2.64 0.18 -1.18 0.00 -1.26 -4.93 121.76 117.58 2yus s ALA 10 Ca 0.38 -2.40 0.08 0.00 0.00 0.00 0.00 51.96 50.02 2yus s ALA 10 Cb 0.19 -4.61 -0.04 0.00 0.00 0.00 0.00 23.12 18.66 2yus s ALA 10 CO -0.01 -3.95 -0.16 0.15 0.00 0.00 0.00 175.76 171.79 2yus s LYS 11 N 5.23 1.26 1.06 0.00 3.01 -1.26 -5.14 119.74 123.90 2yus s LYS 11 Ca 0.56 -1.47 -0.13 0.00 -1.01 0.00 0.00 55.97 53.93 2yus s LYS 11 Cb 0.01 -1.15 0.19 0.00 -1.01 0.00 0.00 37.83 35.86 2yus s LYS 11 CO 0.03 0.21 0.84 0.43 0.51 0.00 0.00 175.35 177.36 2yus n SER 12 N -0.01 -1.22 -4.81 2.83 7.64 -1.26 -4.97 113.62 111.82 2yus n SER 12 Ca -0.11 0.09 -0.34 0.00 1.01 0.00 0.00 58.87 59.52 2yus n SER 12 Cb 0.59 -1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.45 2yus n SER 12 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2yus s LYS 13 N -4.24 4.16 0.00 1.43 2.47 -1.26 -4.58 119.74 117.72 2yus s LYS 13 Ca 0.65 1.20 0.00 0.00 -1.56 0.00 0.00 55.97 56.26 2yus s LYS 13 Cb -0.22 -2.21 0.00 0.00 -1.46 0.00 0.00 37.83 33.93 2yus s LYS 13 CO 0.63 -0.10 0.00 0.41 0.16 0.00 0.00 175.35 176.46 2yus n GLY 14 N -0.44 3.22 0.09 5.54 0.00 -1.26 -4.99 105.19 107.35 2yus n GLY 14 Ca 0.07 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2yus n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yus n ALA 15 N 0.00 0.60 -2.72 4.61 0.00 -1.26 -4.89 120.51 116.85 2yus n ALA 15 Ca 0.00 -0.47 -0.39 0.00 0.00 0.00 0.00 53.44 52.57 2yus n ALA 15 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.21 2yus n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2yus s SER 16 N -6.19 6.93 0.14 0.00 1.04 -1.26 -5.06 113.70 109.29 2yus s SER 16 Ca -0.21 1.11 -0.00 0.00 0.48 0.00 0.00 55.95 57.33 2yus s SER 16 Cb 0.04 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.73 2yus s SER 16 CO 0.37 -0.09 0.05 0.00 0.98 0.00 0.00 173.24 174.54 2yus s ALA 17 N 0.77 0.97 0.00 5.32 0.00 -1.26 -4.95 121.76 122.62 2yus s ALA 17 Ca 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2yus s ALA 17 Cb -0.17 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.76 2yus s ALA 17 CO 0.16 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2yus n GLY 18 N -0.13 3.67 3.76 0.00 0.00 -1.26 -4.68 105.19 106.56 2yus n GLY 18 Ca -0.06 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2yus n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yus s ARG 19 N 0.00 4.23 0.21 1.61 3.00 -1.26 -5.02 118.95 121.72 2yus s ARG 19 Ca 0.00 2.38 0.10 0.00 0.00 0.00 0.00 55.73 58.21 2yus s ARG 19 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 34.95 31.85 2yus s ARG 19 CO 0.00 -0.42 -0.11 -2.00 0.00 0.00 0.00 175.30 172.77 2yus s GLU 20 N -1.09 1.98 0.14 3.54 2.12 -1.26 -5.10 118.70 119.03 2yus s GLU 20 Ca 0.56 -1.40 0.01 0.00 0.36 0.00 0.00 54.97 54.50 2yus s GLU 20 Cb -0.43 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 2yus s GLU 20 CO 0.50 0.40 0.30 -1.58 -0.54 0.00 0.00 175.26 174.35 2yus s TRP 21 N -1.92 3.49 0.27 5.30 0.52 -1.26 -5.12 118.94 120.22 2yus s TRP 21 Ca 0.26 0.22 0.09 0.00 0.02 0.00 0.00 56.10 56.70 2yus s TRP 21 Cb -0.08 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 2yus s TRP 21 CO 0.15 0.49 0.02 -0.08 0.02 0.00 0.00 176.95 177.55 2yus s THR 22 N -1.72 3.55 0.09 2.01 -1.32 -1.26 -5.04 115.64 111.96 2yus s THR 22 Ca 0.36 -1.86 -0.32 0.00 -1.21 0.00 0.00 61.69 58.66 2yus s THR 22 Cb -0.11 -2.91 -0.14 0.00 -1.51 0.00 0.00 72.50 67.83 2yus s THR 22 CO 0.28 -0.37 1.60 -0.08 -2.21 0.00 0.00 174.62 173.85 2yus h GLU 23 N 1.84 -0.75 -0.95 7.08 4.81 -2.00 -1.61 114.58 123.00 2yus h GLU 23 Ca -0.45 0.05 0.34 0.00 -0.13 0.00 0.00 59.36 59.18 2yus h GLU 23 Cb 1.25 0.17 -0.17 0.00 0.63 0.00 0.00 28.75 30.63 2yus h GLU 23 CO 0.60 -0.50 0.31 0.00 -0.73 0.00 0.00 179.01 178.69 2yus n GLN 24 N -5.48 -0.06 -0.02 1.92 10.64 -1.26 0.44 117.38 123.55 2yus n GLN 24 Ca -0.10 1.36 -0.13 0.00 -1.83 0.00 0.00 57.00 56.29 2yus n GLN 24 Cb 0.38 -2.31 -0.10 0.00 -0.86 0.00 0.00 30.24 27.35 2yus n GLN 24 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 2yus h GLU 25 N 0.00 0.03 -0.89 2.61 5.08 -1.80 -3.08 114.58 116.52 2yus h GLU 25 Ca 0.71 -0.02 0.16 0.00 -1.00 0.00 0.00 59.36 59.21 2yus h GLU 25 Cb 1.74 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.84 2yus h GLU 25 CO -0.80 0.56 -0.29 2.41 -1.00 0.00 0.00 179.01 179.90 2yus n THR 26 N -4.81 -0.42 -0.11 1.13 -1.04 0.17 0.70 114.28 109.90 2yus n THR 26 Ca -0.08 2.07 -0.10 0.00 -2.04 0.00 0.00 64.05 63.90 2yus n THR 26 Cb 0.28 -2.79 -0.02 0.00 -1.82 0.00 0.00 70.33 65.98 2yus n THR 26 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2yus h LEU 27 N 0.00 0.46 -0.42 -4.42 3.38 -1.53 -2.61 115.31 110.17 2yus h LEU 27 Ca 0.37 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.24 2yus h LEU 27 Cb 0.59 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2yus h LEU 27 CO -0.90 0.49 0.13 -0.07 0.09 0.00 0.00 178.44 178.18 2yus h LEU 28 N 0.40 0.11 0.39 1.67 3.38 0.37 0.08 115.31 121.71 2yus h LEU 28 Ca 0.11 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2yus h LEU 28 Cb 0.17 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2yus h LEU 28 CO -0.01 0.10 -0.45 0.25 0.09 0.00 0.00 178.44 178.42 2yus h LEU 29 N 0.28 -1.25 0.30 1.67 5.85 -0.44 -2.45 115.31 119.27 2yus h LEU 29 Ca 0.20 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2yus h LEU 29 Cb 0.20 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2yus h LEU 29 CO -0.22 -0.59 -0.43 -0.07 -0.34 0.00 0.00 178.44 176.79 2yus h LEU 30 N -0.87 -1.22 -0.86 2.25 3.38 -1.24 0.41 115.31 117.16 2yus h LEU 30 Ca -0.04 0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.20 2yus h LEU 30 Cb 0.78 0.43 -0.15 0.00 0.09 0.00 0.00 40.66 41.81 2yus h LEU 30 CO -0.10 -0.55 -0.28 1.21 0.09 0.00 0.00 178.44 178.81 2yus n GLU 31 N -5.50 -0.15 -0.11 1.13 0.00 -0.00 0.13 120.64 116.14 2yus n GLU 31 Ca -0.09 1.33 -0.11 0.00 0.00 0.00 0.00 57.16 58.29 2yus n GLU 31 Cb 0.40 -1.98 0.02 0.00 0.00 0.00 0.00 31.44 29.88 2yus n GLU 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2yus h ALA 32 N 1.42 0.69 0.00 4.31 0.00 -1.02 -2.67 119.26 122.00 2yus h ALA 32 Ca 0.35 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2yus h ALA 32 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2yus h ALA 32 CO -0.87 0.67 0.13 1.28 0.00 0.00 0.00 179.25 180.46 2yus n LEU 33 N -4.08 0.34 -0.04 0.00 4.77 0.34 0.12 117.00 118.46 2yus n LEU 33 Ca -0.01 0.60 -0.15 0.00 -0.03 0.00 0.00 56.01 56.42 2yus n LEU 33 Cb 0.50 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.84 2yus n LEU 33 CO 0.47 -0.72 -0.84 -0.62 -1.33 0.00 0.00 177.39 174.35 2yus n GLU 34 N -1.97 0.69 -0.09 3.23 4.71 -0.67 -3.53 120.64 123.00 2yus n GLU 34 Ca -0.01 0.22 -0.12 0.00 -0.01 0.00 0.00 57.16 57.24 2yus n GLU 34 Cb 0.15 -1.68 -0.04 0.00 -1.01 0.00 0.00 31.44 28.86 2yus n GLU 34 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 2yus n MET 35 N -3.19 0.52 -0.85 3.49 2.81 0.31 -4.48 117.12 115.73 2yus n MET 35 Ca -0.29 0.32 -0.17 0.00 -1.81 0.00 0.00 57.70 55.75 2yus n MET 35 Cb 1.06 -1.52 0.11 0.00 -0.71 0.00 0.00 33.22 32.16 2yus n MET 35 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2yus n TYR 36 N -4.46 2.09 -0.29 2.03 4.01 0.33 -4.69 117.16 116.18 2yus n TYR 36 Ca -0.20 -1.51 -0.04 0.00 -0.16 0.00 0.00 57.90 55.99 2yus n TYR 36 Cb 0.53 -0.77 -0.01 0.00 -0.31 0.00 0.00 39.34 38.77 2yus n TYR 36 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2yus n LYS 37 N -0.56 -0.23 -0.07 -0.72 2.85 -1.07 -1.89 118.16 116.47 2yus n LYS 37 Ca 0.41 1.11 -0.11 0.00 -1.05 0.00 0.00 58.31 58.67 2yus n LYS 37 Cb 1.22 -1.63 -0.08 0.00 -0.65 0.00 0.00 35.03 33.89 2yus n LYS 37 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2yus h ASP 38 N 0.00 0.00 -0.07 -5.58 2.03 -1.88 -3.41 116.42 107.51 2yus h ASP 38 Ca 0.19 -0.51 -0.06 0.00 -0.73 0.00 0.00 57.03 55.93 2yus h ASP 38 Cb 0.37 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.89 2yus h ASP 38 CO -0.70 0.93 0.18 0.47 -1.03 0.00 0.00 179.24 179.09 2yus n ASP 39 N -4.62 1.12 -0.12 4.15 8.00 -0.79 -4.65 116.55 119.64 2yus n ASP 39 Ca -0.11 -2.43 -0.13 0.00 0.71 0.00 0.00 54.79 52.83 2yus n ASP 39 Cb 0.36 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 39.88 2yus n ASP 39 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2yus h TRP 40 N 11.39 0.97 -0.89 1.24 4.06 -1.81 -3.03 115.95 127.89 2yus h TRP 40 Ca 0.03 -0.27 0.37 0.00 2.06 0.00 0.00 58.89 61.08 2yus h TRP 40 Cb 0.97 -0.21 -0.16 0.00 -1.00 0.00 0.00 29.16 28.76 2yus h TRP 40 CO 1.03 1.05 0.47 -1.71 -3.56 0.00 0.00 178.44 175.71 2yus n ASN 41 N -4.20 0.30 0.07 -3.49 2.85 -1.26 0.18 115.26 109.71 2yus n ASN 41 Ca -0.02 1.47 -0.17 0.00 -0.11 0.00 0.00 54.58 55.75 2yus n ASN 41 Cb 0.47 -0.71 -0.14 0.00 1.24 0.00 0.00 39.78 40.63 2yus n ASN 41 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2yus h LYS 42 N 0.00 0.25 -0.18 1.20 1.57 -1.92 -3.30 116.57 114.19 2yus h LYS 42 Ca 0.75 -0.43 0.05 0.00 -1.87 0.00 0.00 60.65 59.15 2yus h LYS 42 Cb 1.98 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 34.44 2yus h LYS 42 CO -0.69 1.12 0.50 0.28 -0.57 0.00 0.00 179.45 180.10 2yus h VAL 43 N 0.07 0.10 0.07 0.50 2.07 0.20 0.54 116.25 119.80 2yus h VAL 43 Ca -0.24 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.03 2yus h VAL 43 Cb 2.02 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 2yus h VAL 43 CO 0.16 0.00 -1.08 0.77 0.02 0.00 0.00 177.57 177.44 2yus h SER 44 N 0.00 0.43 0.31 0.57 4.64 -1.50 -3.24 113.55 114.76 2yus h SER 44 Ca 0.08 -0.40 -0.24 0.00 -0.47 0.00 0.00 61.79 60.77 2yus h SER 44 Cb 1.09 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2yus h SER 44 CO -0.00 1.26 -0.98 1.05 -0.87 0.00 0.00 176.83 177.29 2yus h GLU 45 N 0.13 0.44 -0.74 4.77 4.11 -0.12 -3.09 114.58 120.09 2yus h GLU 45 Ca -0.10 -0.49 0.08 0.00 0.07 0.00 0.00 59.36 58.92 2yus h GLU 45 Cb 1.77 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 31.10 2yus h GLU 45 CO 0.18 1.15 0.40 1.25 0.07 0.00 0.00 179.01 182.06 2yus h HIS 46 N 0.24 0.74 0.68 2.06 2.76 -1.40 -3.01 115.15 117.21 2yus h HIS 46 Ca -0.09 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 2yus h HIS 46 Cb 1.62 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 30.37 2yus h HIS 46 CO 0.07 0.32 -0.33 0.28 -1.30 0.00 0.00 177.93 176.97 2yus h VAL 47 N 0.71 0.04 0.00 5.26 2.07 -1.60 -3.48 116.25 119.24 2yus h VAL 47 Ca 0.35 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2yus h VAL 47 Cb 0.29 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2yus h VAL 47 CO -0.22 0.01 0.00 0.61 0.02 0.00 0.00 177.57 177.98 2yus n GLY 48 N -0.58 2.20 2.65 2.17 0.00 -1.14 -4.91 105.19 105.57 2yus n GLY 48 Ca -0.12 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 2yus n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yus n SER 49 N 0.00 4.99 -3.75 1.61 2.88 -1.26 -4.89 113.62 113.19 2yus n SER 49 Ca 0.00 -3.72 -0.13 0.00 -1.33 0.00 0.00 58.87 53.69 2yus n SER 49 Cb 0.00 -0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 62.80 2yus n SER 49 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2yus s ARG 50 N -3.60 0.57 0.33 -1.46 1.81 -1.26 -5.14 118.95 110.20 2yus s ARG 50 Ca 0.48 0.11 0.06 0.00 -1.72 0.00 0.00 55.73 54.66 2yus s ARG 50 Cb 0.36 0.26 -0.01 0.00 -0.45 0.00 0.00 34.95 35.11 2yus s ARG 50 CO -0.19 -0.13 0.47 -0.08 -0.68 0.00 0.00 175.30 174.69 2yus s THR 51 N -0.68 4.16 0.09 0.02 -1.32 -1.26 -4.50 115.64 112.16 2yus s THR 51 Ca -0.08 -0.96 -0.23 0.00 -1.21 0.00 0.00 61.69 59.21 2yus s THR 51 Cb -0.04 -3.45 -0.07 0.00 -1.51 0.00 0.00 72.50 67.43 2yus s THR 51 CO 0.03 -0.18 1.38 1.56 -2.21 0.00 0.00 174.62 175.20 2yus h GLN 52 N 0.88 -0.23 -0.14 7.08 4.20 -1.90 -0.86 115.11 124.13 2yus h GLN 52 Ca -0.46 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.28 2yus h GLN 52 Cb 1.25 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 2yus h GLN 52 CO 0.54 -0.16 -0.08 -0.44 -0.67 0.00 0.00 178.83 178.02 2yus h ASP 53 N -0.24 -0.30 -0.73 1.46 3.32 -1.95 -0.12 116.42 117.84 2yus h ASP 53 Ca 0.06 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.23 2yus h ASP 53 Cb 0.40 0.13 -0.10 0.00 0.22 0.00 0.00 39.33 39.98 2yus h ASP 53 CO -0.45 -0.03 -0.57 -0.33 -1.72 0.00 0.00 179.24 176.14 2yus h GLU 54 N -0.00 -0.17 -0.92 3.56 4.39 -1.88 0.32 114.58 119.87 2yus h GLU 54 Ca 0.02 0.01 0.27 0.00 0.34 0.00 0.00 59.36 60.00 2yus h GLU 54 Cb 0.06 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 28.60 2yus h GLU 54 CO -0.13 -0.12 0.27 0.00 -1.16 0.00 0.00 179.01 177.87 2yus h ILE 56 N 0.17 1.22 0.34 0.00 2.04 0.13 -2.72 117.51 118.69 2yus h ILE 56 Ca 0.61 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2yus h ILE 56 Cb 1.30 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2yus h ILE 56 CO -0.70 0.24 -0.16 -0.07 0.00 0.00 0.00 178.15 177.45 2yus h LEU 57 N 0.29 -0.39 -0.96 1.44 3.38 0.11 -1.34 115.31 117.85 2yus h LEU 57 Ca 0.09 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.30 2yus h LEU 57 Cb 0.30 0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.03 2yus h LEU 57 CO 0.00 -0.27 0.52 -0.74 0.09 0.00 0.00 178.44 178.04 2yus h HIS 58 N -0.46 0.88 0.05 1.13 2.76 -0.82 -1.91 115.15 116.79 2yus h HIS 58 Ca -0.05 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2yus h HIS 58 Cb 0.35 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.08 2yus h HIS 58 CO -0.05 0.02 -0.02 0.35 -1.30 0.00 0.00 177.93 176.93 2yus h PHE 59 N 0.51 -0.06 -0.89 5.26 3.57 -1.14 -2.73 116.94 121.46 2yus h PHE 59 Ca 0.61 -0.00 0.33 0.00 3.53 0.00 0.00 57.97 62.44 2yus h PHE 59 Cb 1.16 0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.81 2yus h PHE 59 CO -0.05 -0.04 0.54 1.28 -2.23 0.00 0.00 178.31 177.81 2yus n LEU 60 N -2.28 0.19 -0.01 0.59 4.77 -0.54 0.21 117.00 119.93 2yus n LEU 60 Ca -0.01 1.08 -0.13 0.00 -0.03 0.00 0.00 56.01 56.92 2yus n LEU 60 Cb 0.03 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.50 2yus n LEU 60 CO 0.02 -1.18 0.68 0.03 -1.33 0.00 0.00 177.39 175.60 2yus h ARG 61 N 0.00 0.01 -4.80 3.23 3.08 -1.35 -3.46 114.38 111.09 2yus h ARG 61 Ca 0.63 -0.00 -0.48 0.00 0.07 0.00 0.00 59.98 60.19 2yus h ARG 61 Cb 1.89 -0.00 0.14 0.00 0.08 0.00 0.00 29.97 32.08 2yus h ARG 61 CO -0.42 0.41 -0.89 1.28 -1.07 0.00 0.00 179.97 179.28 2yus n LEU 62 N -4.89 -2.80 -4.69 3.04 4.77 0.55 -4.79 117.00 108.20 2yus n LEU 62 Ca -0.08 0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 2yus n LEU 62 Cb 0.21 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 2yus n LEU 62 CO 0.34 -3.74 1.16 -2.16 -1.33 0.00 0.00 177.39 171.65 2yus s PRO 63 N -0.80 4.27 0.17 3.23 0.04 -1.26 -5.00 135.00 135.64 2yus s PRO 63 Ca 0.46 2.02 -0.28 0.00 0.04 0.00 0.00 61.00 63.24 2yus s PRO 63 Cb -0.42 -3.59 -0.08 0.00 0.04 0.00 0.00 34.50 30.45 2yus s PRO 63 CO 0.52 -0.61 0.87 -1.50 0.04 0.00 0.00 177.00 176.33 2yus s ILE 64 N 2.51 4.32 -0.60 0.56 1.10 -1.26 -4.95 121.20 122.88 2yus s ILE 64 Ca 0.65 1.91 -0.26 0.00 -0.51 0.00 0.00 60.65 62.45 2yus s ILE 64 Cb -0.32 -4.24 -0.09 0.00 0.15 0.00 0.00 42.46 37.95 2yus s ILE 64 CO 0.27 0.46 2.38 -1.61 -2.11 0.00 0.00 174.94 174.32 2yus s GLU 65 N -0.81 1.96 0.19 3.50 0.41 -1.26 -4.93 118.70 117.76 2yus s GLU 65 Ca 0.40 1.03 -0.17 0.00 -0.41 0.00 0.00 54.97 55.82 2yus s GLU 65 Cb -0.24 -4.65 -0.08 0.00 -1.78 0.00 0.00 34.13 27.38 2yus s GLU 65 CO 0.29 -3.65 0.65 0.34 -0.49 0.00 0.00 175.26 172.39 2yus s ASP 66 N 11.51 6.93 0.30 -0.19 -1.08 -1.26 -4.99 116.67 127.90 2yus s ASP 66 Ca 0.94 1.25 0.09 0.00 -0.52 0.00 0.00 52.55 54.31 2yus s ASP 66 Cb -0.15 -2.36 0.48 0.00 -1.46 0.00 0.00 42.92 39.43 2yus s ASP 66 CO 0.19 0.05 1.70 1.55 0.52 0.00 0.00 175.17 179.18 2yus h PRO 67 N 3.40 0.11 -2.21 4.34 0.13 -2.07 -3.25 132.00 132.46 2yus h PRO 67 Ca -0.48 -0.06 -0.56 0.00 -0.87 0.00 0.00 66.00 64.03 2yus h PRO 67 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2yus h PRO 67 CO 0.65 0.57 1.03 0.66 -0.23 0.00 0.00 178.00 180.68 2yus n TYR 68 N -3.97 1.83 -3.60 1.56 4.01 -1.26 -4.85 117.16 110.89 2yus n TYR 68 Ca -0.02 -2.21 -0.40 0.00 -0.16 0.00 0.00 57.90 55.12 2yus n TYR 68 Cb 0.51 -1.55 -0.08 0.00 -0.31 0.00 0.00 39.34 37.91 2yus n TYR 68 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2yus s LEU 69 N -2.02 5.66 -0.53 7.72 2.96 -1.23 -4.93 118.68 126.32 2yus s LEU 69 Ca 0.58 -2.32 0.03 0.00 -0.22 0.00 0.00 54.13 52.20 2yus s LEU 69 Cb 0.32 -1.97 0.42 0.00 0.50 0.00 0.00 46.19 45.46 2yus s LEU 69 CO -0.17 -0.56 1.49 -0.62 -1.32 0.00 0.00 176.35 175.17 2yus n GLU 70 N 4.31 3.21 -4.23 1.98 -0.58 -1.26 -4.97 120.64 119.10 2yus n GLU 70 Ca 0.01 -3.99 -0.21 0.00 -0.42 0.00 0.00 57.16 52.55 2yus n GLU 70 Cb 0.41 -2.27 -0.16 0.00 -0.57 0.00 0.00 31.44 28.84 2yus n GLU 70 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2yus s ASN 71 N -2.74 1.10 -0.30 1.62 4.22 -1.26 -5.12 114.94 112.46 2yus s ASN 71 Ca 0.53 -0.16 -0.17 0.00 -2.14 0.00 0.00 52.86 50.92 2yus s ASN 71 Cb 0.43 -0.51 0.18 0.00 1.28 0.00 0.00 41.25 42.63 2yus s ASN 71 CO -0.14 -0.04 1.13 -0.55 -2.04 0.00 0.00 177.10 175.46 2yus s SER 72 N 0.88 -0.31 -0.52 3.54 0.15 -1.26 -5.12 113.70 111.07 2yus s SER 72 Ca -0.12 0.45 0.04 0.00 0.70 0.00 0.00 55.95 57.02 2yus s SER 72 Cb -0.15 1.27 0.13 0.00 -1.71 0.00 0.00 66.02 65.56 2yus s SER 72 CO 0.01 -0.07 0.27 -0.62 1.20 0.00 0.00 173.24 174.03 2yus s ASP 73 N 1.81 4.26 -0.15 5.45 2.15 -1.26 -4.92 116.67 124.00 2yus s ASP 73 Ca -0.04 -3.01 -0.15 0.00 0.43 0.00 0.00 52.55 49.78 2yus s ASP 73 Cb -0.03 -1.57 -0.23 0.00 -0.30 0.00 0.00 42.92 40.78 2yus s ASP 73 CO -0.15 -0.23 0.34 0.77 -0.17 0.00 0.00 175.17 175.74 2yus h SER 74 N 6.47 0.24 -1.26 -0.34 4.64 -2.08 -3.48 113.55 117.74 2yus h SER 74 Ca -0.06 -0.75 -0.45 0.00 -0.47 0.00 0.00 61.79 60.06 2yus h SER 74 Cb 0.89 -0.08 0.12 0.00 -0.31 0.00 0.00 62.40 63.02 2yus h SER 74 CO 0.67 1.66 -0.71 0.61 -0.87 0.00 0.00 176.83 178.18 2yus n GLY 75 N 1.71 -2.04 3.62 -0.77 0.00 -1.26 -4.91 105.19 101.54 2yus n GLY 75 Ca -0.31 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 2yus n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yus s PRO 76 N -0.72 -0.63 0.39 1.61 0.04 -1.26 -5.07 135.00 129.35 2yus s PRO 76 Ca 0.42 0.14 0.08 0.00 0.04 0.00 0.00 61.00 61.68 2yus s PRO 76 Cb -0.44 -1.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2yus s PRO 76 CO 0.46 -3.36 0.40 -1.54 0.04 0.00 0.00 177.00 172.99 2yus s SER 77 N -3.72 5.27 0.29 6.66 1.04 -1.26 -5.08 113.70 116.89 2yus s SER 77 Ca 0.69 -0.60 -0.29 0.00 0.48 0.00 0.00 55.95 56.23 2yus s SER 77 Cb -0.13 -0.72 -0.10 0.00 0.10 0.00 0.00 66.02 65.17 2yus s SER 77 CO 0.57 -0.59 1.43 -0.44 0.98 0.00 0.00 173.24 175.19 2yus s SER 78 N -4.14 6.61 0.00 7.02 0.01 -1.26 -5.32 113.70 116.62 2yus s SER 78 Ca 0.48 2.75 0.00 0.00 1.31 0.00 0.00 55.95 60.48 2yus s SER 78 Cb -0.05 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2yus s SER 78 CO 0.29 -0.71 0.29 0.61 0.41 0.00 0.00 173.24 174.12