#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dip n SER 2 N 0.00 0.03 -4.47 1.61 2.88 -1.26 -5.05 113.62 107.37 2dip n SER 2 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2dip n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2dip n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dip s SER 3 N -4.96 5.49 0.00 -3.46 0.15 -1.26 -5.06 113.70 104.59 2dip s SER 3 Ca 0.00 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2dip s SER 3 Cb 0.00 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2dip s SER 3 CO 0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2dip n GLY 4 N 4.98 4.08 3.69 9.45 0.00 -1.26 -5.19 105.19 120.93 2dip n GLY 4 Ca -0.15 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 2dip n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dip s SER 5 N -0.80 0.09 0.61 1.61 1.04 -1.26 -5.15 113.70 109.84 2dip s SER 5 Ca 0.00 -1.02 -0.18 0.00 0.48 0.00 0.00 55.95 55.23 2dip s SER 5 Cb 0.00 0.70 -0.10 0.00 0.10 0.00 0.00 66.02 66.72 2dip s SER 5 CO 0.00 -1.36 0.19 -1.20 0.98 0.00 0.00 173.24 171.85 2dip n SER 6 N -0.86 -2.42 -3.96 7.02 7.64 -1.26 -4.97 113.62 114.82 2dip n SER 6 Ca -0.03 0.63 -0.31 0.00 1.01 0.00 0.00 58.87 60.17 2dip n SER 6 Cb 0.61 -1.03 -0.15 0.00 -1.01 0.00 0.00 64.21 62.62 2dip n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dip s GLY 7 N -1.16 1.44 0.29 0.23 0.00 -1.26 -5.12 107.32 101.74 2dip s GLY 7 Ca 0.62 -1.64 -0.04 0.00 0.00 0.00 0.00 44.72 43.65 2dip s GLY 7 CO 0.62 0.93 0.55 0.48 0.00 0.00 0.00 173.10 175.68 2dip s LEU 8 N 1.28 4.06 -1.06 0.66 0.05 -1.26 -4.99 118.68 117.43 2dip s LEU 8 Ca -0.02 0.68 -0.23 0.00 0.05 0.00 0.00 54.13 54.61 2dip s LEU 8 Cb -0.19 -3.50 -0.04 0.00 -2.05 0.00 0.00 46.19 40.41 2dip s LEU 8 CO -0.08 -0.20 1.86 -0.70 -0.55 0.00 0.00 176.35 176.68 2dip s GLU 9 N -3.61 2.80 -0.21 1.48 2.56 -1.26 -4.66 118.70 115.81 2dip s GLU 9 Ca 0.43 -0.87 -0.10 0.00 0.00 0.00 0.00 54.97 54.43 2dip s GLU 9 Cb -0.11 -5.21 -0.19 0.00 2.00 0.00 0.00 34.13 30.62 2dip s GLU 9 CO 0.31 -3.34 0.04 -1.91 -0.56 0.00 0.00 175.26 169.79 2dip n GLU 10 N 8.61 0.65 -4.42 4.30 4.07 -1.26 -4.99 120.64 127.60 2dip n GLU 10 Ca 0.42 0.32 -0.26 0.00 -0.06 0.00 0.00 57.16 57.58 2dip n GLU 10 Cb 0.47 -1.63 -0.11 0.00 -0.06 0.00 0.00 31.44 30.11 2dip n GLU 10 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2dip s PHE 11 N -2.49 2.25 -0.16 4.31 5.36 -1.26 -5.13 117.98 120.86 2dip s PHE 11 Ca -0.30 -0.36 -0.03 0.00 -0.96 0.00 0.00 56.93 55.27 2dip s PHE 11 Cb 0.09 -1.09 -0.02 0.00 -0.34 0.00 0.00 43.02 41.66 2dip s PHE 11 CO 0.63 0.53 -0.05 0.15 -1.46 0.00 0.00 175.22 175.01 2dip s LYS 12 N -2.85 3.58 -0.07 10.12 1.02 -1.26 -5.10 119.74 125.18 2dip s LYS 12 Ca 0.22 -0.56 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 2dip s LYS 12 Cb -0.07 -2.88 0.03 0.00 -0.52 0.00 0.00 37.83 34.39 2dip s LYS 12 CO 0.11 0.18 -0.00 0.54 -0.92 0.00 0.00 175.35 175.25 2dip s ASN 13 N 0.52 1.51 -0.32 2.83 4.22 -1.26 -5.11 114.94 117.33 2dip s ASN 13 Ca -0.04 -0.09 0.03 0.00 -2.14 0.00 0.00 52.86 50.61 2dip s ASN 13 Cb -0.15 -0.45 0.09 0.00 1.28 0.00 0.00 41.25 42.03 2dip s ASN 13 CO 0.03 -0.18 0.03 -0.44 -2.04 0.00 0.00 177.10 174.50 2dip s SER 14 N 1.84 4.54 0.93 3.54 0.01 -1.26 -5.12 113.70 118.19 2dip s SER 14 Ca 0.03 -1.91 -0.14 0.00 1.31 0.00 0.00 55.95 55.24 2dip s SER 14 Cb -0.12 -1.46 0.16 0.00 0.21 0.00 0.00 66.02 64.81 2dip s SER 14 CO -0.05 -0.35 1.21 -0.44 0.41 0.00 0.00 173.24 174.02 2dip s SER 15 N 1.08 3.35 0.38 2.44 0.01 -1.26 -5.09 113.70 114.60 2dip s SER 15 Ca 0.07 0.63 0.08 0.00 1.31 0.00 0.00 55.95 58.04 2dip s SER 15 Cb -0.19 -0.96 -0.06 0.00 0.21 0.00 0.00 66.02 65.03 2dip s SER 15 CO -0.10 -2.62 0.09 -0.54 0.41 0.00 0.00 173.24 170.47 2dip s LYS 16 N -5.59 2.14 0.50 12.44 1.02 -1.26 -5.16 119.74 123.84 2dip s LYS 16 Ca 0.68 -1.82 0.06 0.00 0.02 0.00 0.00 55.97 54.91 2dip s LYS 16 Cb -0.09 -1.93 0.01 0.00 -0.52 0.00 0.00 37.83 35.30 2dip s LYS 16 CO 0.52 0.01 0.33 -0.51 -0.92 0.00 0.00 175.35 174.78 2dip s LEU 17 N -3.80 2.84 -0.27 3.17 2.01 -1.26 -5.11 118.68 116.26 2dip s LEU 17 Ca 0.37 -1.18 -0.09 0.00 0.01 0.00 0.00 54.13 53.25 2dip s LEU 17 Cb 0.03 -1.32 -0.03 0.00 0.01 0.00 0.00 46.19 44.88 2dip s LEU 17 CO 0.21 -0.92 0.11 -0.69 1.01 0.00 0.00 176.35 176.07 2dip s VAL 18 N -2.71 4.59 0.44 -1.59 1.01 -1.26 -5.07 120.40 115.82 2dip s VAL 18 Ca 0.35 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 2dip s VAL 18 Cb -0.01 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.07 2dip s VAL 18 CO 0.21 0.26 0.87 0.00 0.00 0.00 0.00 175.10 176.44 2dip n ALA 19 N 4.97 -0.31 -2.81 5.51 0.00 -1.26 -5.00 120.51 121.60 2dip n ALA 19 Ca -0.15 0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 2dip n ALA 19 Cb 0.51 -1.99 -0.07 0.00 0.00 0.00 0.00 19.45 17.90 2dip n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dip s ALA 20 N -1.36 0.24 -0.05 0.00 0.00 -1.26 -5.03 121.76 114.30 2dip s ALA 20 Ca 0.65 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 2dip s ALA 20 Cb -0.55 1.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 2dip s ALA 20 CO 0.56 -0.74 2.37 0.00 0.00 0.00 0.00 175.76 177.95 2dip n ALA 21 N -0.32 4.70 -0.07 0.00 0.00 -1.26 -3.99 120.51 119.56 2dip n ALA 21 Ca -0.01 -0.65 -0.21 0.00 0.00 0.00 0.00 53.44 52.57 2dip n ALA 21 Cb 0.63 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 2dip n ALA 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dip n GLU 22 N 1.58 0.69 -1.14 0.00 0.00 -1.26 -4.97 120.64 115.54 2dip n GLU 22 Ca 0.14 0.24 -0.34 0.00 0.00 0.00 0.00 57.16 57.20 2dip n GLU 22 Cb 0.60 -1.61 0.12 0.00 0.00 0.00 0.00 31.44 30.54 2dip n GLU 22 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2dip n LYS 23 N -3.52 0.22 -0.76 5.31 2.85 -1.26 -4.94 118.16 116.07 2dip n LYS 23 Ca -0.40 0.14 -0.33 0.00 -1.05 0.00 0.00 58.31 56.68 2dip n LYS 23 Cb 0.98 -2.35 0.14 0.00 -0.65 0.00 0.00 35.03 33.15 2dip n LYS 23 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2dip n GLU 24 N -2.87 -0.62 -0.93 -1.58 0.00 -1.26 -4.88 120.64 108.50 2dip n GLU 24 Ca 0.13 -0.14 -0.36 0.00 0.00 0.00 0.00 57.16 56.79 2dip n GLU 24 Cb 0.50 -1.84 0.06 0.00 0.00 0.00 0.00 31.44 30.17 2dip n GLU 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2dip n ARG 25 N -1.91 -0.17 0.08 3.44 3.00 -1.26 -4.85 116.66 115.00 2dip n ARG 25 Ca 0.05 -0.04 -0.02 0.00 -0.01 0.00 0.00 57.85 57.83 2dip n ARG 25 Cb 0.55 -1.23 0.22 0.00 0.00 0.00 0.00 32.46 32.00 2dip n ARG 25 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 2dip h LEU 26 N -1.19 0.30 -7.86 0.55 8.10 -1.99 -3.42 115.31 109.79 2dip h LEU 26 Ca -0.44 -0.12 -0.48 0.00 0.11 0.00 0.00 57.88 56.96 2dip h LEU 26 Cb 1.32 -0.08 -0.34 0.00 -0.44 0.00 0.00 40.66 41.11 2dip h LEU 26 CO 0.26 0.66 -0.80 -0.62 -4.11 0.00 0.00 178.44 173.83 2dip s ASP 27 N -6.87 1.52 0.58 0.17 2.15 -1.26 -5.00 116.67 107.95 2dip s ASP 27 Ca -0.05 -0.23 0.32 0.00 0.43 0.00 0.00 52.55 53.01 2dip s ASP 27 Cb 0.13 -0.69 1.39 0.00 -0.30 0.00 0.00 42.92 43.46 2dip s ASP 27 CO 0.78 -0.02 1.73 0.07 -0.17 0.00 0.00 175.17 177.56 2dip h LYS 28 N 7.20 0.00 -5.14 4.34 5.09 -1.99 -3.36 116.57 122.71 2dip h LYS 28 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.40 2dip h LYS 28 Cb 1.17 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.49 2dip h LYS 28 CO 0.46 0.00 0.16 1.58 -2.09 0.00 0.00 179.45 179.57 2dip n HIS 29 N -3.76 0.86 -0.10 0.07 -0.00 -1.26 -4.49 115.22 106.54 2dip n HIS 29 Ca 0.18 -0.10 -0.16 0.00 0.46 0.00 0.00 57.72 58.10 2dip n HIS 29 Cb 1.07 -2.36 -0.09 0.00 -0.12 0.00 0.00 29.99 28.50 2dip n HIS 29 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2dip n LEU 30 N 17.88 2.65 0.00 0.27 4.77 -1.26 -4.41 117.00 136.90 2dip n LEU 30 Ca 0.40 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2dip n LEU 30 Cb 0.45 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2dip n LEU 30 CO 0.59 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 2dip n GLY 31 N 2.37 0.62 2.99 -0.72 0.00 -1.26 -4.26 105.19 104.94 2dip n GLY 31 Ca -0.36 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 2dip n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dip s ILE 32 N 0.00 -0.01 0.91 -0.61 1.01 -1.26 -5.16 121.20 116.08 2dip s ILE 32 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 2dip s ILE 32 Cb 0.00 -0.19 0.14 0.00 0.01 0.00 0.00 42.46 42.42 2dip s ILE 32 CO 0.00 0.01 1.09 -2.16 0.00 0.00 0.00 174.94 173.88 2dip s PRO 33 N 0.19 1.13 0.70 2.79 0.04 -1.26 -4.80 135.00 133.78 2dip s PRO 33 Ca -0.01 0.77 -0.14 0.00 0.04 0.00 0.00 61.00 61.67 2dip s PRO 33 Cb -0.02 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.74 2dip s PRO 33 CO -0.00 -2.32 1.10 0.00 0.04 0.00 0.00 177.00 175.82 2dip n ASN 35 N -2.77 0.35 0.00 0.00 2.85 0.33 -3.38 115.26 112.64 2dip n ASN 35 Ca 0.10 -0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 2dip n ASN 35 Cb 0.52 1.41 0.00 0.00 1.24 0.00 0.00 39.78 42.96 2dip n ASN 35 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2dip n ASN 36 N -2.25 0.00 -0.19 1.20 5.15 -1.26 -4.59 115.26 113.32 2dip n ASN 36 Ca -0.02 0.04 0.10 0.00 -0.60 0.00 0.00 54.58 54.10 2dip n ASN 36 Cb 0.53 -0.26 0.49 0.00 -0.53 0.00 0.00 39.78 40.01 2dip n ASN 36 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dip n LYS 38 N -0.41 -2.52 -1.64 0.00 4.76 -1.22 -4.77 118.16 112.36 2dip n LYS 38 Ca 0.15 0.17 -0.46 0.00 -2.87 0.00 0.00 58.31 55.30 2dip n LYS 38 Cb 0.15 -4.63 -0.04 0.00 -1.84 0.00 0.00 35.03 28.67 2dip n LYS 38 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2dip n GLN 39 N -2.38 2.29 -3.72 1.97 7.27 -1.26 -4.47 117.38 117.08 2dip n GLN 39 Ca -0.04 0.80 -0.12 0.00 0.07 0.00 0.00 57.00 57.71 2dip n GLN 39 Cb 0.47 -2.84 -0.13 0.00 2.41 0.00 0.00 30.24 30.14 2dip n GLN 39 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 2dip s PHE 40 N 5.12 -0.35 1.00 3.69 5.36 -1.26 -3.03 117.98 128.51 2dip s PHE 40 Ca 0.94 0.83 -0.12 0.00 -0.96 0.00 0.00 56.93 57.62 2dip s PHE 40 Cb -0.57 0.06 0.19 0.00 -0.34 0.00 0.00 43.02 42.36 2dip s PHE 40 CO 0.46 -0.25 1.09 -1.25 -1.46 0.00 0.00 175.22 173.81 2dip s PRO 41 N 1.34 0.43 -1.14 10.12 0.04 -1.26 -5.07 135.00 139.47 2dip s PRO 41 Ca -0.09 0.53 -0.08 0.00 0.04 0.00 0.00 61.00 61.40 2dip s PRO 41 Cb -0.10 -1.74 0.26 0.00 0.04 0.00 0.00 34.50 32.96 2dip s PRO 41 CO -0.09 -2.73 1.40 -0.89 0.04 0.00 0.00 177.00 174.73 2dip n ILE 42 N -4.18 4.78 -0.38 0.56 5.41 -1.25 -4.89 119.36 119.42 2dip n ILE 42 Ca 0.05 -5.36 -0.07 0.00 1.00 0.00 0.00 62.75 58.37 2dip n ILE 42 Cb 0.57 -2.36 -0.04 0.00 -0.71 0.00 0.00 39.64 37.10 2dip n ILE 42 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2dip h GLU 43 N 6.16 -0.03 -7.11 0.38 5.08 -1.90 -3.41 114.58 113.74 2dip h GLU 43 Ca 0.24 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.19 2dip h GLU 43 Cb 0.75 0.01 0.21 0.00 0.50 0.00 0.00 28.75 30.22 2dip h GLU 43 CO 1.25 -0.02 -0.04 0.20 -1.00 0.00 0.00 179.01 179.39 2dip s GLY 44 N -2.94 1.49 1.07 -3.84 0.00 -1.26 -4.95 107.32 96.88 2dip s GLY 44 Ca -0.13 -0.48 -0.22 0.00 0.00 0.00 0.00 44.72 43.89 2dip s GLY 44 CO 0.66 0.38 -0.63 0.28 0.00 0.00 0.00 173.10 173.79 2dip n LYS 45 N -5.23 -0.95 -4.38 2.90 4.76 -1.26 -4.54 118.16 109.46 2dip n LYS 45 Ca 0.07 -0.27 -0.32 0.00 -2.87 0.00 0.00 58.31 54.92 2dip n LYS 45 Cb 0.57 -1.41 -0.16 0.00 -1.84 0.00 0.00 35.03 32.18 2dip n LYS 45 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dip s TYR 47 N 1.07 2.31 -0.06 0.00 1.51 -0.87 -2.17 117.35 119.15 2dip s TYR 47 Ca -0.01 -0.36 -0.10 0.00 -1.01 0.00 0.00 57.07 55.59 2dip s TYR 47 Cb -0.14 -1.16 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 2dip s TYR 47 CO -0.07 0.47 0.24 -1.59 -1.11 0.00 0.00 175.55 173.49 2dip s LYS 48 N -2.57 0.42 -0.09 -0.62 -2.85 -1.07 -0.03 119.74 112.92 2dip s LYS 48 Ca 0.20 0.08 -0.27 0.00 -1.00 0.00 0.00 55.97 54.98 2dip s LYS 48 Cb -0.08 0.19 -0.02 0.00 -2.06 0.00 0.00 37.83 35.85 2dip s LYS 48 CO 0.09 -0.08 0.87 0.00 0.10 0.00 0.00 175.35 176.33 2dip n THR 50 N 4.26 0.68 -0.00 0.00 -2.24 0.14 -3.92 114.28 113.20 2dip n THR 50 Ca 0.04 -0.63 -0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2dip n THR 50 Cb 0.50 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 2dip n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dip n GLU 51 N 0.83 2.70 -1.76 -0.78 1.02 -1.26 -4.97 120.64 116.42 2dip n GLU 51 Ca 0.16 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 2dip n GLU 51 Cb 0.42 -1.03 0.05 0.00 -0.02 0.00 0.00 31.44 30.86 2dip n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dip s ILE 53 N -1.27 2.61 -1.41 0.00 -1.09 -1.26 -4.72 121.20 114.06 2dip s ILE 53 Ca 0.33 -0.84 -0.05 0.00 -2.23 0.00 0.00 60.65 57.86 2dip s ILE 53 Cb -0.02 -2.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.82 2dip s ILE 53 CO 0.22 0.55 0.34 -0.62 -1.23 0.00 0.00 174.94 174.20 2dip n GLU 54 N 3.26 -2.07 -5.20 2.79 1.02 -1.26 -4.95 120.64 114.24 2dip n GLU 54 Ca -0.18 0.28 -0.31 0.00 -0.02 0.00 0.00 57.16 56.92 2dip n GLU 54 Cb 0.53 -4.00 -0.17 0.00 -0.02 0.00 0.00 31.44 27.78 2dip n GLU 54 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2dip s TYR 55 N -4.01 2.43 -0.10 -0.32 5.04 -1.26 -5.03 117.35 114.09 2dip s TYR 55 Ca 0.09 -0.87 -0.10 0.00 -2.44 0.00 0.00 57.07 53.75 2dip s TYR 55 Cb -0.04 -1.61 0.03 0.00 0.35 0.00 0.00 41.96 40.68 2dip s TYR 55 CO 0.93 -0.32 0.28 -1.01 -1.34 0.00 0.00 175.55 174.09 2dip s HIS 56 N 0.13 -0.29 0.47 4.97 3.76 -1.26 -2.70 115.29 120.37 2dip s HIS 56 Ca -0.12 0.70 0.03 0.00 -0.15 0.00 0.00 55.06 55.53 2dip s HIS 56 Cb -0.16 0.10 -0.03 0.00 1.11 0.00 0.00 32.58 33.60 2dip s HIS 56 CO 0.06 -0.17 0.02 -0.51 -0.85 0.00 0.00 174.74 173.30 2dip s LEU 57 N 0.03 2.42 0.12 0.89 1.43 0.95 0.12 118.68 124.64 2dip s LEU 57 Ca -0.01 -1.57 0.10 0.00 -1.03 0.00 0.00 54.13 51.62 2dip s LEU 57 Cb -0.02 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2dip s LEU 57 CO 0.01 -0.74 -0.25 0.00 0.23 0.00 0.00 176.35 175.60 2dip n GLN 59 N 0.97 -0.05 0.13 0.00 -0.06 -0.96 -0.66 117.38 116.74 2dip n GLN 59 Ca -0.18 1.17 -0.05 0.00 -2.00 0.00 0.00 57.00 55.93 2dip n GLN 59 Cb 0.53 -2.03 -0.03 0.00 -4.06 0.00 0.00 30.24 24.66 2dip n GLN 59 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2dip h GLU 60 N 0.00 -0.33 -0.94 3.69 4.81 -1.94 -1.89 114.58 117.98 2dip h GLU 60 Ca 0.65 0.02 0.26 0.00 -0.13 0.00 0.00 59.36 60.16 2dip h GLU 60 Cb 1.62 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 31.03 2dip h GLU 60 CO -0.68 -0.22 0.66 0.00 -0.73 0.00 0.00 179.01 178.04 2dip h PHE 62 N 0.09 0.46 -0.25 0.00 3.57 -0.61 -2.44 116.94 117.76 2dip h PHE 62 Ca 0.46 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.96 2dip h PHE 62 Cb 1.68 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 2dip h PHE 62 CO -0.00 0.59 0.28 0.22 -2.23 0.00 0.00 178.31 177.17 2dip h ASP 63 N 0.39 0.00 1.46 0.41 3.58 0.70 0.48 116.42 123.44 2dip h ASP 63 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2dip h ASP 63 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2dip h ASP 63 CO 0.04 0.00 -0.15 -1.28 -2.88 0.00 0.00 179.24 174.97 2dip h SER 64 N 0.00 0.00 -6.56 2.28 0.87 -1.51 -3.47 113.55 105.16 2dip h SER 64 Ca 0.12 -0.04 -0.52 0.00 -1.23 0.00 0.00 61.79 60.13 2dip h SER 64 Cb 0.68 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.53 2dip h SER 64 CO -0.00 0.02 -0.85 -1.22 -0.53 0.00 0.00 176.83 174.25 2dip n TYR 65 N -2.43 -1.77 -0.04 2.24 4.02 0.17 -4.90 117.16 114.45 2dip n TYR 65 Ca 0.05 0.79 -0.01 0.00 -0.01 0.00 0.00 57.90 58.71 2dip n TYR 65 Cb 0.46 -3.49 -0.00 0.00 -0.02 0.00 0.00 39.34 36.28 2dip n TYR 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dip n HIS 67 N -3.96 0.41 -0.01 0.00 -0.00 -1.26 -3.55 115.22 106.84 2dip n HIS 67 Ca -0.02 0.14 0.19 0.00 -0.00 0.00 0.00 57.72 58.04 2dip n HIS 67 Cb 0.06 -0.73 0.37 0.00 -0.00 0.00 0.00 29.99 29.69 2dip n HIS 67 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2dip h LEU 68 N 0.00 0.00 -1.72 0.27 -0.00 -1.95 0.10 115.31 112.02 2dip h LEU 68 Ca 0.00 0.00 0.36 0.00 -0.00 0.00 0.00 57.88 58.24 2dip h LEU 68 Cb 0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.03 2dip h LEU 68 CO 0.00 0.00 1.05 0.28 -0.00 0.00 0.00 178.44 179.77 2dip h SER 69 N 0.00 0.00 -0.97 -0.43 0.02 -1.83 -3.40 113.55 106.95 2dip h SER 69 Ca 0.31 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.76 2dip h SER 69 Cb 2.39 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.93 2dip h SER 69 CO -0.00 0.00 -0.22 -1.00 -1.14 0.00 0.00 176.83 174.46 2dip s HIS 70 N -4.72 1.92 -0.52 3.45 3.76 0.35 -5.06 115.29 114.46 2dip s HIS 70 Ca -0.04 -0.66 -0.27 0.00 -0.15 0.00 0.00 55.06 53.93 2dip s HIS 70 Cb 0.20 -2.16 0.03 0.00 1.11 0.00 0.00 32.58 31.77 2dip s HIS 70 CO 0.69 -0.68 1.09 0.99 -0.85 0.00 0.00 174.74 175.98 2dip s THR 71 N -2.61 4.21 0.40 1.30 2.01 -1.26 -4.99 115.64 114.70 2dip s THR 71 Ca 0.51 0.89 0.08 0.00 0.31 0.00 0.00 61.69 63.48 2dip s THR 71 Cb -0.05 -4.61 -0.02 0.00 0.01 0.00 0.00 72.50 67.83 2dip s THR 71 CO 0.32 -1.11 0.35 -0.36 -0.69 0.00 0.00 174.62 173.13 2dip s PHE 72 N 4.44 2.76 -0.11 4.92 0.40 -1.26 -0.68 117.98 128.44 2dip s PHE 72 Ca 0.42 -0.44 -0.06 0.00 -0.60 0.00 0.00 56.93 56.24 2dip s PHE 72 Cb -0.08 -2.07 0.05 0.00 0.51 0.00 0.00 43.02 41.42 2dip s PHE 72 CO 0.27 -0.04 0.27 0.95 0.70 0.00 0.00 175.22 177.37 2dip s THR 73 N -2.43 -0.03 -0.03 0.64 -4.23 -1.00 -3.66 115.64 104.91 2dip s THR 73 Ca 0.46 0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 61.08 2dip s THR 73 Cb -0.04 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 2dip s THR 73 CO 0.27 0.05 0.06 0.72 -0.54 0.00 0.00 174.62 175.19 2dip s PHE 74 N 1.11 3.26 0.56 3.99 -0.12 -1.03 -2.61 117.98 123.14 2dip s PHE 74 Ca -0.08 0.21 0.09 0.00 -0.05 0.00 0.00 56.93 57.10 2dip s PHE 74 Cb -0.09 -1.75 0.07 0.00 -0.63 0.00 0.00 43.02 40.62 2dip s PHE 74 CO -0.08 0.54 0.71 1.03 -0.05 0.00 0.00 175.22 177.37 2dip s ARG 75 N -1.52 2.34 0.27 1.99 0.52 -0.92 0.56 118.95 122.18 2dip s ARG 75 Ca 0.20 -1.67 0.02 0.00 -0.52 0.00 0.00 55.73 53.77 2dip s ARG 75 Cb -0.12 -2.57 -0.05 0.00 0.52 0.00 0.00 34.95 32.73 2dip s ARG 75 CO 0.11 -0.77 0.06 -1.21 0.02 0.00 0.00 175.30 173.51 2dip s GLU 76 N -4.58 1.44 1.00 3.54 0.41 -1.26 -4.60 118.70 114.66 2dip s GLU 76 Ca 0.57 -1.77 -0.17 0.00 -0.41 0.00 0.00 54.97 53.19 2dip s GLU 76 Cb -0.05 -0.50 -0.04 0.00 -1.78 0.00 0.00 34.13 31.75 2dip s GLU 76 CO 0.36 -0.21 -0.31 0.36 -0.49 0.00 0.00 175.26 174.96 2dip n LYS 77 N -0.50 -0.40 -1.16 1.61 2.85 -1.26 -4.60 118.16 114.70 2dip n LYS 77 Ca -0.02 -0.10 -0.38 0.00 -1.05 0.00 0.00 58.31 56.77 2dip n LYS 77 Cb 0.66 -1.45 0.02 0.00 -0.65 0.00 0.00 35.03 33.61 2dip n LYS 77 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2dip n ARG 78 N 0.09 0.00 -2.54 -1.58 3.00 -1.26 -2.85 116.66 111.52 2dip n ARG 78 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.76 2dip n ARG 78 Cb 0.59 -0.98 0.01 0.00 0.00 0.00 0.00 32.46 32.08 2dip n ARG 78 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2dip n ASN 79 N 2.74 -3.67 -2.16 6.15 5.15 -1.26 -5.02 115.26 117.19 2dip n ASN 79 Ca 0.05 -0.11 -0.10 0.00 -0.60 0.00 0.00 54.58 53.82 2dip n ASN 79 Cb 0.49 -2.64 -0.04 0.00 -0.53 0.00 0.00 39.78 37.06 2dip n ASN 79 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dip n GLN 80 N -2.25 0.23 -3.91 1.20 1.13 -1.13 -5.12 117.38 107.52 2dip n GLN 80 Ca -0.07 -1.72 -0.08 0.00 -1.94 0.00 0.00 57.00 53.19 2dip n GLN 80 Cb 0.56 1.43 -0.08 0.00 0.11 0.00 0.00 30.24 32.27 2dip n GLN 80 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2dip s LYS 81 N -2.68 0.79 1.03 -1.09 -0.14 -1.26 -4.90 119.74 111.49 2dip s LYS 81 Ca 0.20 -1.01 -0.24 0.00 -1.36 0.00 0.00 55.97 53.57 2dip s LYS 81 Cb 0.01 0.31 -0.10 0.00 -1.68 0.00 0.00 37.83 36.37 2dip s LYS 81 CO 0.14 -0.23 -0.97 0.91 -0.76 0.00 0.00 175.35 174.45 2dip n TRP 82 N -0.01 -1.72 -3.91 3.18 7.02 -1.26 -4.29 117.44 116.45 2dip n TRP 82 Ca -0.15 0.44 -0.11 0.00 -1.02 0.00 0.00 57.50 56.66 2dip n TRP 82 Cb 0.62 -1.45 -0.12 0.00 -2.42 0.00 0.00 31.31 27.93 2dip n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2dip s ARG 83 N -2.48 0.19 -0.44 -0.99 1.81 0.19 -4.90 118.95 112.33 2dip s ARG 83 Ca 0.43 -0.27 -0.25 0.00 -1.72 0.00 0.00 55.73 53.92 2dip s ARG 83 Cb 0.00 0.07 0.02 0.00 -0.45 0.00 0.00 34.95 34.60 2dip s ARG 83 CO 0.68 -0.03 0.89 -1.12 -0.68 0.00 0.00 175.30 175.04 2dip s SER 84 N -0.72 6.51 0.56 0.23 0.01 -1.26 -2.45 113.70 116.58 2dip s SER 84 Ca -0.08 0.15 -0.16 0.00 1.31 0.00 0.00 55.95 57.18 2dip s SER 84 Cb -0.05 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 2dip s SER 84 CO -0.00 -0.98 1.03 -0.76 0.41 0.00 0.00 173.24 172.93 2dip s LEU 85 N 3.59 3.55 -0.15 2.44 1.43 -1.24 -5.01 118.68 123.28 2dip s LEU 85 Ca 0.35 1.70 -0.03 0.00 -1.03 0.00 0.00 54.13 55.12 2dip s LEU 85 Cb -0.11 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.56 2dip s LEU 85 CO 0.24 -0.91 -0.04 -1.83 0.23 0.00 0.00 176.35 174.04 2dip s GLU 86 N -4.10 3.64 -0.78 1.70 -1.05 -1.26 -4.92 118.70 111.94 2dip s GLU 86 Ca 0.61 -0.53 -0.24 0.00 -0.15 0.00 0.00 54.97 54.67 2dip s GLU 86 Cb -0.13 -2.89 -0.17 0.00 -0.44 0.00 0.00 34.13 30.49 2dip s GLU 86 CO 0.35 0.26 2.44 1.63 0.95 0.00 0.00 175.26 180.88 2dip n LYS 87 N 3.48 0.49 -3.97 -4.83 5.02 -1.26 -4.89 118.16 112.20 2dip n LYS 87 Ca -0.17 -0.23 -0.35 0.00 -2.02 0.00 0.00 58.31 55.54 2dip n LYS 87 Cb 0.52 -2.64 -0.11 0.00 -0.02 0.00 0.00 35.03 32.79 2dip n LYS 87 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2dip s ARG 88 N 8.40 3.89 -0.26 1.97 3.00 -1.26 -5.07 118.95 129.61 2dip s ARG 88 Ca 1.11 -0.38 -0.03 0.00 -1.00 0.00 0.00 55.73 55.43 2dip s ARG 88 Cb -0.53 -3.23 0.15 0.00 0.00 0.00 0.00 34.95 31.34 2dip s ARG 88 CO 0.32 0.16 0.48 0.00 0.00 0.00 0.00 175.30 176.26 2dip s ALA 89 N 0.67 -1.58 -0.93 6.12 0.00 -1.26 -5.04 121.76 119.73 2dip s ALA 89 Ca 0.03 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.26 2dip s ALA 89 Cb -0.13 -1.82 0.21 0.00 0.00 0.00 0.00 23.12 21.37 2dip s ALA 89 CO 0.02 -1.21 0.97 0.34 0.00 0.00 0.00 175.76 175.88 2dip s ASP 90 N 2.69 6.86 -0.43 0.00 2.15 -1.26 -4.95 116.67 121.73 2dip s ASP 90 Ca 0.13 -2.74 0.02 0.00 0.43 0.00 0.00 52.55 50.39 2dip s ASP 90 Cb -0.15 -2.27 0.13 0.00 -0.30 0.00 0.00 42.92 40.33 2dip s ASP 90 CO -0.18 -0.65 0.21 -0.70 -0.17 0.00 0.00 175.17 173.69 2dip s GLU 91 N 0.59 1.40 -0.34 4.34 2.12 -1.26 -5.08 118.70 120.46 2dip s GLU 91 Ca 0.26 -2.03 -0.09 0.00 0.36 0.00 0.00 54.97 53.47 2dip s GLU 91 Cb -0.08 -2.60 0.02 0.00 0.26 0.00 0.00 34.13 31.73 2dip s GLU 91 CO -0.08 -1.11 0.16 0.08 -0.54 0.00 0.00 175.26 173.76 2dip s VAL 92 N 0.40 4.30 0.07 3.70 1.01 -1.26 -5.07 120.40 123.54 2dip s VAL 92 Ca 0.16 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2dip s VAL 92 Cb -0.24 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2dip s VAL 92 CO -0.03 -0.13 -0.04 -0.94 0.00 0.00 0.00 175.10 173.95 2dip s SER 93 N 1.52 0.71 0.00 3.32 1.04 -1.26 -5.07 113.70 113.96 2dip s SER 93 Ca 0.02 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2dip s SER 93 Cb -0.19 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2dip s SER 93 CO 0.05 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2dip n GLY 94 N 0.12 1.05 3.60 7.32 0.00 -1.26 -5.15 105.19 110.88 2dip n GLY 94 Ca -0.14 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2dip n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dip s PRO 95 N 0.00 -1.08 0.09 1.61 0.04 -1.26 -4.97 135.00 129.43 2dip s PRO 95 Ca 0.00 -0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.72 2dip s PRO 95 Cb 0.00 -1.61 -0.13 0.00 0.04 0.00 0.00 34.50 32.80 2dip s PRO 95 CO 0.00 -3.62 1.48 1.03 0.04 0.00 0.00 177.00 175.93 2dip h SER 96 N -2.52 -1.35 -4.32 6.66 0.87 -2.07 -3.41 113.55 107.40 2dip h SER 96 Ca -0.46 0.13 -0.51 0.00 -1.23 0.00 0.00 61.79 59.73 2dip h SER 96 Cb 1.30 0.49 0.10 0.00 -0.44 0.00 0.00 62.40 63.85 2dip h SER 96 CO 0.36 -0.51 0.36 -0.94 -0.53 0.00 0.00 176.83 175.57 2dip s SER 97 N -4.29 5.14 0.00 6.23 1.04 -1.26 -5.34 113.70 115.21 2dip s SER 97 Ca -0.14 1.61 0.00 0.00 0.48 0.00 0.00 55.95 57.90 2dip s SER 97 Cb 0.05 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2dip s SER 97 CO 0.52 -1.60 0.00 0.61 0.98 0.00 0.00 173.24 173.75