#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dip s SER 2 N 0.00 0.21 0.55 1.61 0.01 -1.26 -5.15 113.70 109.67 2dip s SER 2 Ca 0.00 -0.46 -0.19 0.00 1.31 0.00 0.00 55.95 56.61 2dip s SER 2 Cb 0.00 0.11 -0.06 0.00 0.21 0.00 0.00 66.02 66.29 2dip s SER 2 CO 0.00 -0.31 1.11 -0.44 0.41 0.00 0.00 173.24 174.01 2dip s SER 3 N -1.46 5.75 0.54 2.44 0.01 -1.26 -5.03 113.70 114.70 2dip s SER 3 Ca -0.16 2.10 -0.08 0.00 1.31 0.00 0.00 55.95 59.13 2dip s SER 3 Cb -0.10 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 2dip s SER 3 CO -0.01 -1.19 0.90 -0.83 0.41 0.00 0.00 173.24 172.51 2dip s GLY 4 N -1.94 1.57 0.03 3.44 0.00 -1.26 -5.05 107.32 104.11 2dip s GLY 4 Ca 0.71 -0.32 -0.22 0.00 0.00 0.00 0.00 44.72 44.89 2dip s GLY 4 CO 0.28 -0.11 0.64 -0.45 0.00 0.00 0.00 173.10 173.46 2dip s SER 5 N -4.14 7.07 0.40 1.64 0.15 -1.26 -5.07 113.70 112.49 2dip s SER 5 Ca 0.51 1.28 0.04 0.00 0.70 0.00 0.00 55.95 58.47 2dip s SER 5 Cb -0.11 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 2dip s SER 5 CO 0.49 0.13 0.07 -0.44 1.20 0.00 0.00 173.24 174.68 2dip s SER 6 N -0.42 3.06 -0.43 5.45 0.01 -1.26 -5.06 113.70 115.05 2dip s SER 6 Ca 0.32 -1.54 -0.42 0.00 1.31 0.00 0.00 55.95 55.63 2dip s SER 6 Cb -0.19 0.21 -0.17 0.00 0.21 0.00 0.00 66.02 66.08 2dip s SER 6 CO 0.19 -0.75 2.01 0.61 0.41 0.00 0.00 173.24 175.71 2dip n GLY 7 N -0.92 0.21 3.54 3.44 0.00 -1.26 -4.89 105.19 105.32 2dip n GLY 7 Ca -0.07 1.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.97 2dip n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dip s LEU 8 N 5.47 -0.71 -0.09 0.99 0.20 -1.26 -5.17 118.68 118.11 2dip s LEU 8 Ca 1.12 1.03 -0.10 0.00 0.69 0.00 0.00 54.13 56.86 2dip s LEU 8 Cb -1.28 1.88 0.03 0.00 -0.43 0.00 0.00 46.19 46.39 2dip s LEU 8 CO 0.64 -0.15 0.28 -1.83 -0.29 0.00 0.00 176.35 175.01 2dip s GLU 9 N 2.16 0.37 -0.30 1.98 -1.05 -1.26 -5.15 118.70 115.46 2dip s GLU 9 Ca -0.06 0.31 -0.11 0.00 -0.15 0.00 0.00 54.97 54.96 2dip s GLU 9 Cb -0.06 0.18 0.15 0.00 -0.44 0.00 0.00 34.13 33.96 2dip s GLU 9 CO -0.17 -0.06 0.80 -1.83 0.95 0.00 0.00 175.26 174.95 2dip s GLU 10 N -0.05 0.44 0.14 -4.83 -1.05 -1.26 -5.14 118.70 106.95 2dip s GLU 10 Ca -0.02 1.04 -0.34 0.00 -0.15 0.00 0.00 54.97 55.50 2dip s GLU 10 Cb -0.03 0.62 -0.16 0.00 -0.44 0.00 0.00 34.13 34.13 2dip s GLU 10 CO 0.01 -0.22 1.33 1.97 0.95 0.00 0.00 175.26 179.30 2dip n PHE 11 N 5.27 1.64 -3.22 4.83 -1.74 -1.26 -4.98 117.46 118.01 2dip n PHE 11 Ca -0.09 0.57 -0.20 0.00 -0.56 0.00 0.00 57.45 57.17 2dip n PHE 11 Cb 0.51 -2.36 0.03 0.00 1.52 0.00 0.00 39.48 39.17 2dip n PHE 11 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 2dip s LYS 12 N 0.19 2.47 0.92 3.97 -2.85 -1.26 -5.12 119.74 118.05 2dip s LYS 12 Ca 0.78 -1.58 -0.13 0.00 -1.00 0.00 0.00 55.97 54.05 2dip s LYS 12 Cb -0.85 -2.57 0.14 0.00 -2.06 0.00 0.00 37.83 32.50 2dip s LYS 12 CO 0.47 -0.59 1.16 1.21 0.10 0.00 0.00 175.35 177.71 2dip s ASN 13 N -4.46 3.48 0.62 0.03 3.84 -1.26 -4.99 114.94 112.19 2dip s ASN 13 Ca 0.54 0.84 -0.18 0.00 0.21 0.00 0.00 52.86 54.27 2dip s ASN 13 Cb -0.06 -1.32 -0.04 0.00 -0.55 0.00 0.00 41.25 39.28 2dip s ASN 13 CO 0.33 -2.56 1.04 -1.54 -2.79 0.00 0.00 177.10 171.58 2dip n SER 14 N -3.75 1.04 -4.68 -4.21 3.41 -1.26 -4.91 113.62 99.26 2dip n SER 14 Ca 0.08 0.80 -0.43 0.00 -0.26 0.00 0.00 58.87 59.07 2dip n SER 14 Cb 0.60 -1.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.09 2dip n SER 14 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dip s SER 15 N -1.30 7.09 0.88 4.04 1.04 -1.26 -5.01 113.70 119.19 2dip s SER 15 Ca 0.78 1.65 -0.12 0.00 0.48 0.00 0.00 55.95 58.73 2dip s SER 15 Cb -0.40 -2.55 0.08 0.00 0.10 0.00 0.00 66.02 63.25 2dip s SER 15 CO 0.45 -0.59 0.88 1.17 0.98 0.00 0.00 173.24 176.13 2dip n LYS 16 N 5.58 -0.19 -2.82 4.02 4.81 -1.26 -4.88 118.16 123.42 2dip n LYS 16 Ca 0.11 0.01 -0.44 0.00 -0.87 0.00 0.00 58.31 57.12 2dip n LYS 16 Cb 0.47 -2.18 -0.01 0.00 0.02 0.00 0.00 35.03 33.33 2dip n LYS 16 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2dip s LEU 17 N -4.11 4.64 0.46 3.14 2.34 -1.26 -5.00 118.68 118.89 2dip s LEU 17 Ca 0.65 -2.63 -0.15 0.00 0.06 0.00 0.00 54.13 52.06 2dip s LEU 17 Cb -0.25 -2.46 -0.12 0.00 -0.56 0.00 0.00 46.19 42.80 2dip s LEU 17 CO 0.59 -0.95 -0.17 0.55 -1.06 0.00 0.00 176.35 175.31 2dip n VAL 18 N 5.34 0.00 -3.64 1.48 3.14 -1.26 -4.89 118.33 118.49 2dip n VAL 18 Ca 0.38 -0.41 -0.39 0.00 -2.96 0.00 0.00 64.34 60.96 2dip n VAL 18 Cb 0.45 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.14 2dip n VAL 18 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dip s ALA 19 N -1.64 3.51 -0.08 1.55 0.00 -1.26 -5.05 121.76 118.79 2dip s ALA 19 Ca 0.45 -2.94 0.02 0.00 0.00 0.00 0.00 51.96 49.49 2dip s ALA 19 Cb -0.38 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.01 2dip s ALA 19 CO 0.56 -2.01 -0.12 0.00 0.00 0.00 0.00 175.76 174.19 2dip s ALA 20 N 0.57 1.34 0.99 0.00 0.00 -1.26 -5.13 121.76 118.26 2dip s ALA 20 Ca 0.12 -0.48 -0.17 0.00 0.00 0.00 0.00 51.96 51.43 2dip s ALA 20 Cb -0.21 -0.66 0.04 0.00 0.00 0.00 0.00 23.12 22.30 2dip s ALA 20 CO -0.04 0.01 -0.27 0.00 0.00 0.00 0.00 175.76 175.46 2dip n ALA 21 N 4.04 -2.53 -0.84 0.00 0.00 -1.26 -4.73 120.51 115.19 2dip n ALA 21 Ca -0.21 -1.11 -0.09 0.00 0.00 0.00 0.00 53.44 52.03 2dip n ALA 21 Cb 0.51 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 2dip n ALA 21 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2dip n GLU 22 N -0.48 1.64 0.03 0.00 0.28 -1.26 -4.39 120.64 116.46 2dip n GLU 22 Ca 0.02 -0.77 -0.10 0.00 -0.16 0.00 0.00 57.16 56.15 2dip n GLU 22 Cb 0.50 -1.60 -0.07 0.00 1.43 0.00 0.00 31.44 31.70 2dip n GLU 22 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2dip h LYS 23 N 2.12 -0.17 -7.20 3.44 3.64 -2.05 -3.46 116.57 112.89 2dip h LYS 23 Ca 0.14 0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 59.00 2dip h LYS 23 Cb 1.21 0.04 0.16 0.00 -0.41 0.00 0.00 32.23 33.23 2dip h LYS 23 CO 0.23 0.27 0.36 -2.00 -2.27 0.00 0.00 179.45 176.05 2dip s GLU 24 N -3.12 2.02 0.96 1.90 2.56 -1.26 -4.95 118.70 116.81 2dip s GLU 24 Ca -0.12 1.65 -0.13 0.00 0.00 0.00 0.00 54.97 56.37 2dip s GLU 24 Cb 0.00 -1.83 0.02 0.00 2.00 0.00 0.00 34.13 34.32 2dip s GLU 24 CO 0.45 -1.90 0.24 0.54 -0.56 0.00 0.00 175.26 174.03 2dip n ARG 25 N -2.99 -0.31 -2.00 4.30 3.00 -1.26 -4.93 116.66 112.46 2dip n ARG 25 Ca 0.13 -0.06 -0.27 0.00 -0.01 0.00 0.00 57.85 57.64 2dip n ARG 25 Cb 0.51 -1.75 0.03 0.00 0.00 0.00 0.00 32.46 31.25 2dip n ARG 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2dip n LEU 26 N -0.76 5.40 -3.87 0.55 4.32 -1.26 -4.95 117.00 116.43 2dip n LEU 26 Ca 0.05 -4.77 -0.27 0.00 -0.02 0.00 0.00 56.01 51.00 2dip n LEU 26 Cb 0.54 -0.49 -0.03 0.00 -1.62 0.00 0.00 43.42 41.82 2dip n LEU 26 CO 0.51 2.03 -0.24 -0.67 -1.22 0.00 0.00 177.39 177.79 2dip n ASP 27 N -0.69 -0.88 -3.83 -1.43 2.03 -1.26 -4.89 116.55 105.60 2dip n ASP 27 Ca 0.46 -0.91 -0.30 0.00 0.52 0.00 0.00 54.79 54.56 2dip n ASP 27 Cb 0.84 -1.11 -0.15 0.00 -0.72 0.00 0.00 41.12 39.97 2dip n ASP 27 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2dip s LYS 28 N -6.39 1.03 -1.17 -0.67 2.20 -1.26 -4.86 119.74 108.62 2dip s LYS 28 Ca 0.15 -1.23 -0.00 0.00 -0.36 0.00 0.00 55.97 54.53 2dip s LYS 28 Cb -0.09 -2.39 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 2dip s LYS 28 CO 0.70 -0.90 0.01 -2.39 -0.36 0.00 0.00 175.35 172.40 2dip n HIS 29 N 4.68 -0.95 -0.29 4.03 1.44 -1.26 -4.78 115.22 118.09 2dip n HIS 29 Ca -0.02 0.46 -0.04 0.00 -2.01 0.00 0.00 57.72 56.10 2dip n HIS 29 Cb 0.43 -2.12 0.08 0.00 0.12 0.00 0.00 29.99 28.50 2dip n HIS 29 CO 0.00 0.00 0.00 1.37 -2.81 0.00 0.00 176.34 174.90 2dip h LEU 30 N -1.11 0.92 0.00 2.39 -0.00 -1.94 -3.43 115.31 112.14 2dip h LEU 30 Ca -0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.36 2dip h LEU 30 Cb 1.06 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 2dip h LEU 30 CO 0.53 0.66 0.00 0.61 -0.00 0.00 0.00 178.44 180.25 2dip n GLY 31 N -1.32 0.75 3.00 0.17 0.00 -1.26 -4.29 105.19 102.24 2dip n GLY 31 Ca 0.08 0.80 -0.12 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.00 0.76 -0.61 1.01 -1.26 -5.16 121.20 115.93 2dip s ILE 32 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 2dip s ILE 32 Cb 0.00 -0.18 0.05 0.00 0.01 0.00 0.00 42.46 42.34 2dip s ILE 32 CO 0.00 0.00 1.10 -2.16 0.00 0.00 0.00 174.94 173.88 2dip s PRO 33 N 0.10 2.33 0.63 2.79 0.04 -1.26 -4.82 135.00 134.81 2dip s PRO 33 Ca -0.00 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 2dip s PRO 33 Cb -0.01 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2dip s PRO 33 CO -0.00 -1.59 1.15 0.00 0.04 0.00 0.00 177.00 176.60 2dip n ASN 35 N -1.98 0.35 0.00 0.00 5.15 0.19 -3.27 115.26 115.69 2dip n ASN 35 Ca 0.12 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 2dip n ASN 35 Cb 0.51 1.09 0.00 0.00 -0.53 0.00 0.00 39.78 40.85 2dip n ASN 35 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2dip n ASN 36 N -2.58 0.00 0.16 1.20 5.15 -1.26 -4.57 115.26 113.35 2dip n ASN 36 Ca -0.11 0.16 0.02 0.00 -0.60 0.00 0.00 54.58 54.06 2dip n ASN 36 Cb 0.76 -0.28 0.21 0.00 -0.53 0.00 0.00 39.78 39.94 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 -3.54 -4.20 -2.84 0.00 4.76 -1.20 -4.98 118.16 106.14 2dip n LYS 38 Ca -0.00 0.46 -0.42 0.00 -2.87 0.00 0.00 58.31 55.49 2dip n LYS 38 Cb 0.61 -4.38 -0.04 0.00 -1.84 0.00 0.00 35.03 29.38 2dip n LYS 38 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2dip s GLN 39 N -5.42 4.29 -0.12 1.97 0.74 -1.26 -4.74 119.66 115.12 2dip s GLN 39 Ca 0.22 1.08 -0.05 0.00 0.05 0.00 0.00 55.36 56.66 2dip s GLN 39 Cb -0.10 -3.59 0.06 0.00 1.10 0.00 0.00 33.01 30.48 2dip s GLN 39 CO 0.41 -0.38 0.26 0.12 -0.55 0.00 0.00 175.29 175.15 2dip s PHE 40 N 2.33 -0.39 0.96 1.67 5.36 -1.26 -3.21 117.98 123.45 2dip s PHE 40 Ca 0.39 0.90 -0.12 0.00 -0.96 0.00 0.00 56.93 57.14 2dip s PHE 40 Cb -0.16 0.02 0.17 0.00 -0.34 0.00 0.00 43.02 42.71 2dip s PHE 40 CO 0.12 -0.29 1.09 -1.25 -1.46 0.00 0.00 175.22 173.42 2dip s PRO 41 N 1.79 0.70 -1.06 10.12 0.04 -1.26 -5.01 135.00 140.32 2dip s PRO 41 Ca -0.05 0.63 -0.14 0.00 0.04 0.00 0.00 61.00 61.48 2dip s PRO 41 Cb -0.11 -1.76 0.19 0.00 0.04 0.00 0.00 34.50 32.86 2dip s PRO 41 CO -0.09 -2.57 1.19 0.42 0.04 0.00 0.00 177.00 175.99 2dip s ILE 42 N -2.95 5.26 0.19 0.56 1.01 -1.24 -4.90 121.20 119.12 2dip s ILE 42 Ca 0.65 -2.52 -0.25 0.00 0.00 0.00 0.00 60.65 58.53 2dip s ILE 42 Cb -0.18 -4.75 0.07 0.00 0.01 0.00 0.00 42.46 37.61 2dip s ILE 42 CO 0.57 -1.41 1.53 -0.62 0.00 0.00 0.00 174.94 175.01 2dip n GLU 43 N 4.98 -0.34 -0.36 2.79 4.71 -1.26 -4.50 120.64 126.65 2dip n GLU 43 Ca 0.27 1.51 -0.12 0.00 -0.01 0.00 0.00 57.16 58.80 2dip n GLU 43 Cb 0.44 -2.22 0.11 0.00 -1.01 0.00 0.00 31.44 28.76 2dip n GLU 43 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2dip n GLY 44 N -1.35 -2.86 3.45 0.62 0.00 -1.26 -4.99 105.19 98.80 2dip n GLY 44 Ca 0.06 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 2dip n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dip n LYS 45 N -3.03 -2.08 -3.99 1.61 4.76 -1.26 -4.70 118.16 109.46 2dip n LYS 45 Ca 0.06 -0.58 -0.33 0.00 -2.87 0.00 0.00 58.31 54.60 2dip n LYS 45 Cb 0.24 -2.09 -0.14 0.00 -1.84 0.00 0.00 35.03 31.20 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 1.09 3.49 -0.09 0.00 1.51 0.94 -3.29 117.35 121.00 2dip s TYR 47 Ca -0.02 0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 56.28 2dip s TYR 47 Cb -0.20 -1.79 0.05 0.00 -0.11 0.00 0.00 41.96 39.91 2dip s TYR 47 CO -0.05 0.48 0.19 0.21 -1.11 0.00 0.00 175.55 175.27 2dip s LYS 48 N -3.03 0.09 0.07 -0.62 2.20 -0.57 -0.68 119.74 117.20 2dip s LYS 48 Ca 0.37 0.58 -0.31 0.00 -0.36 0.00 0.00 55.97 56.25 2dip s LYS 48 Cb -0.12 -0.18 -0.08 0.00 -1.51 0.00 0.00 37.83 35.95 2dip s LYS 48 CO 0.28 -0.26 1.55 0.00 -0.36 0.00 0.00 175.35 176.56 2dip n THR 50 N 4.53 0.22 -0.02 0.00 -2.24 0.31 -3.82 114.28 113.25 2dip n THR 50 Ca 0.14 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2dip n THR 50 Cb 0.41 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 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 0.41 1.38 -2.06 -0.78 1.02 -1.26 -4.98 120.64 114.38 2dip n GLU 51 Ca 0.16 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.16 2dip n GLU 51 Cb 0.35 -1.23 0.03 0.00 -0.02 0.00 0.00 31.44 30.58 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 -0.84 1.78 -1.60 0.00 1.01 -1.26 -4.73 121.20 115.56 2dip s ILE 53 Ca 0.28 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 2dip s ILE 53 Cb -0.02 -1.50 0.10 0.00 0.01 0.00 0.00 42.46 41.05 2dip s ILE 53 CO 0.18 0.50 0.71 -0.62 0.00 0.00 0.00 174.94 175.71 2dip n GLU 54 N 2.81 -3.54 -4.89 2.79 1.02 -1.26 -4.95 120.64 112.62 2dip n GLU 54 Ca -0.17 0.41 -0.31 0.00 -0.02 0.00 0.00 57.16 57.08 2dip n GLU 54 Cb 0.52 -4.99 -0.17 0.00 -0.02 0.00 0.00 31.44 26.79 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 -3.48 2.39 -0.08 -0.32 5.04 -1.26 -4.98 117.35 114.66 2dip s TYR 55 Ca 0.52 -1.06 -0.05 0.00 -2.44 0.00 0.00 57.07 54.04 2dip s TYR 55 Cb -0.28 -1.63 0.03 0.00 0.35 0.00 0.00 41.96 40.43 2dip s TYR 55 CO 0.90 -0.47 0.19 -1.01 -1.34 0.00 0.00 175.55 173.83 2dip s HIS 56 N 0.60 -0.23 0.35 4.97 3.76 -1.26 -2.41 115.29 121.06 2dip s HIS 56 Ca -0.14 0.59 0.08 0.00 -0.15 0.00 0.00 55.06 55.45 2dip s HIS 56 Cb -0.17 0.02 -0.05 0.00 1.11 0.00 0.00 32.58 33.49 2dip s HIS 56 CO 0.04 -0.17 0.07 -0.51 -0.85 0.00 0.00 174.74 173.32 2dip s LEU 57 N 0.82 3.06 0.09 0.89 1.43 0.14 0.53 118.68 125.65 2dip s LEU 57 Ca -0.06 -0.97 0.06 0.00 -1.03 0.00 0.00 54.13 52.14 2dip s LEU 57 Cb -0.08 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2dip s LEU 57 CO -0.05 -0.31 -0.09 0.00 0.23 0.00 0.00 176.35 176.14 2dip n GLN 59 N 0.83 -0.05 0.13 0.00 -0.06 -1.06 -0.30 117.38 116.87 2dip n GLN 59 Ca -0.13 1.00 -0.06 0.00 -2.00 0.00 0.00 57.00 55.81 2dip n GLN 59 Cb 0.52 -1.67 -0.03 0.00 -4.06 0.00 0.00 30.24 25.01 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 -0.34 -1.00 3.69 4.57 -1.94 -2.46 114.58 117.09 2dip h GLU 60 Ca 0.48 0.02 0.22 0.00 -1.18 0.00 0.00 59.36 58.90 2dip h GLU 60 Cb 1.12 0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 29.69 2dip h GLU 60 CO -0.60 -0.23 0.62 0.00 -1.18 0.00 0.00 179.01 177.61 2dip h PHE 62 N 0.63 0.80 0.00 0.00 3.57 -0.65 0.26 116.94 121.56 2dip h PHE 62 Ca 0.59 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 62.11 2dip h PHE 62 Cb 1.09 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 2dip h PHE 62 CO -0.00 0.32 -0.01 0.22 -2.23 0.00 0.00 178.31 176.60 2dip h ASP 63 N 0.70 0.00 0.28 0.41 3.58 -0.10 -1.29 116.42 119.99 2dip h ASP 63 Ca 0.43 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.84 2dip h ASP 63 Cb 0.66 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 2dip h ASP 63 CO -0.19 0.01 -0.19 -1.28 -2.88 0.00 0.00 179.24 174.71 2dip h SER 64 N 0.00 0.00 -5.78 2.28 0.87 -0.51 -3.47 113.55 106.94 2dip h SER 64 Ca -0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 2dip h SER 64 Cb 0.07 0.00 0.13 0.00 -0.44 0.00 0.00 62.40 62.17 2dip h SER 64 CO 0.00 0.19 -0.80 -1.22 -0.53 0.00 0.00 176.83 174.48 2dip n TYR 65 N -4.05 -2.11 -0.07 2.24 4.02 -0.49 -4.94 117.16 111.76 2dip n TYR 65 Ca -0.02 0.90 -0.15 0.00 -0.01 0.00 0.00 57.90 58.62 2dip n TYR 65 Cb 0.27 -4.79 -0.05 0.00 -0.02 0.00 0.00 39.34 34.75 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 -3.63 0.23 -0.21 0.00 -0.00 -1.26 -4.14 115.22 106.21 2dip n HIS 67 Ca -0.27 0.07 0.30 0.00 -0.00 0.00 0.00 57.72 57.82 2dip n HIS 67 Cb 0.68 -0.42 0.54 0.00 -0.00 0.00 0.00 29.99 30.79 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 -1.34 0.27 4.07 -1.91 0.15 115.31 116.56 2dip h LEU 68 Ca 0.00 0.00 0.37 0.00 0.08 0.00 0.00 57.88 58.33 2dip h LEU 68 Cb 0.62 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.24 2dip h LEU 68 CO 0.00 0.00 0.75 -1.28 -1.08 0.00 0.00 178.44 176.83 2dip h SER 69 N 0.00 0.34 -3.09 -0.43 0.87 -1.91 -3.40 113.55 105.93 2dip h SER 69 Ca 0.49 0.13 -0.49 0.00 -1.23 0.00 0.00 61.79 60.69 2dip h SER 69 Cb 2.67 0.10 0.01 0.00 -0.44 0.00 0.00 62.40 64.74 2dip h SER 69 CO -0.01 -0.10 -0.11 -1.00 -0.53 0.00 0.00 176.83 175.08 2dip s HIS 70 N -5.40 3.51 -0.47 2.24 3.76 0.53 -5.02 115.29 114.42 2dip s HIS 70 Ca -0.08 0.54 -0.28 0.00 -0.15 0.00 0.00 55.06 55.08 2dip s HIS 70 Cb 0.29 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.94 2dip s HIS 70 CO 0.81 0.05 1.46 0.99 -0.85 0.00 0.00 174.74 177.20 2dip s THR 71 N -2.34 3.80 0.56 1.30 2.01 -1.26 -4.94 115.64 114.78 2dip s THR 71 Ca 0.43 0.76 0.07 0.00 0.31 0.00 0.00 61.69 63.26 2dip s THR 71 Cb -0.10 -4.25 0.07 0.00 0.01 0.00 0.00 72.50 68.24 2dip s THR 71 CO 0.36 -0.90 0.77 -0.36 -0.69 0.00 0.00 174.62 173.80 2dip s PHE 72 N 5.95 1.79 -0.16 4.92 0.40 -1.26 -0.53 117.98 129.08 2dip s PHE 72 Ca 0.59 -0.56 -0.12 0.00 -0.60 0.00 0.00 56.93 56.24 2dip s PHE 72 Cb -0.13 -2.38 0.05 0.00 0.51 0.00 0.00 43.02 41.07 2dip s PHE 72 CO 0.29 -1.07 0.41 0.95 0.70 0.00 0.00 175.22 176.51 2dip s THR 73 N -2.67 -0.01 0.08 0.64 -4.23 -0.87 -4.29 115.64 104.27 2dip s THR 73 Ca 0.61 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 61.22 2dip s THR 73 Cb -0.07 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 2dip s THR 73 CO 0.38 0.02 -0.06 0.72 -0.54 0.00 0.00 174.62 175.14 2dip s PHE 74 N 0.85 2.85 0.46 3.99 -0.12 -1.13 -1.51 117.98 123.37 2dip s PHE 74 Ca -0.05 -0.09 0.08 0.00 -0.05 0.00 0.00 56.93 56.82 2dip s PHE 74 Cb -0.06 -1.51 0.02 0.00 -0.63 0.00 0.00 43.02 40.85 2dip s PHE 74 CO -0.07 0.43 0.58 1.03 -0.05 0.00 0.00 175.22 177.14 2dip s ARG 75 N -2.04 2.61 0.37 1.99 0.52 -1.21 0.80 118.95 121.99 2dip s ARG 75 Ca 0.22 -1.44 0.07 0.00 -0.52 0.00 0.00 55.73 54.05 2dip s ARG 75 Cb -0.11 -2.62 -0.07 0.00 0.52 0.00 0.00 34.95 32.66 2dip s ARG 75 CO 0.13 -0.42 -0.01 -1.21 0.02 0.00 0.00 175.30 173.81 2dip s GLU 76 N -4.38 1.83 1.01 3.54 2.02 -1.26 -4.75 118.70 116.70 2dip s GLU 76 Ca 0.54 -2.00 -0.17 0.00 0.02 0.00 0.00 54.97 53.36 2dip s GLU 76 Cb -0.07 -1.45 -0.02 0.00 0.10 0.00 0.00 34.13 32.69 2dip s GLU 76 CO 0.33 -0.02 -0.22 0.36 0.02 0.00 0.00 175.26 175.72 2dip n LYS 77 N -0.83 -0.52 -0.93 1.61 2.85 -1.26 -4.61 118.16 114.47 2dip n LYS 77 Ca -0.05 -0.13 -0.31 0.00 -1.05 0.00 0.00 58.31 56.77 2dip n LYS 77 Cb 0.66 -1.52 0.02 0.00 -0.65 0.00 0.00 35.03 33.54 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 -0.32 0.00 -3.32 -1.58 3.00 -1.26 -2.99 116.66 110.18 2dip n ARG 78 Ca 0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.69 2dip n ARG 78 Cb 0.59 -0.83 0.07 0.00 0.00 0.00 0.00 32.46 32.29 2dip n ARG 78 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2dip n ASN 79 N 2.50 -4.65 -2.04 6.15 3.02 -1.26 -5.00 115.26 113.98 2dip n ASN 79 Ca 0.02 -0.45 -0.07 0.00 -0.03 0.00 0.00 54.58 54.05 2dip n ASN 79 Cb 0.43 -4.17 -0.01 0.00 -0.61 0.00 0.00 39.78 35.41 2dip n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dip n GLN 80 N -3.98 0.40 -3.76 3.52 1.13 -1.16 -5.11 117.38 108.42 2dip n GLN 80 Ca -0.05 -1.44 -0.10 0.00 -1.94 0.00 0.00 57.00 53.47 2dip n GLN 80 Cb 0.57 1.42 -0.06 0.00 0.11 0.00 0.00 30.24 32.28 2dip n GLN 80 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2dip s LYS 81 N -2.38 0.92 0.75 -1.09 0.00 -1.26 -4.88 119.74 111.80 2dip s LYS 81 Ca 0.15 -0.82 -0.17 0.00 0.00 0.00 0.00 55.97 55.13 2dip s LYS 81 Cb -0.01 0.39 -0.15 0.00 0.00 0.00 0.00 37.83 38.07 2dip s LYS 81 CO 0.10 -0.32 -0.48 0.91 0.00 0.00 0.00 175.35 175.56 2dip n TRP 82 N -0.06 -4.04 -3.74 1.78 7.02 -1.26 -4.25 117.44 112.88 2dip n TRP 82 Ca -0.16 0.18 -0.15 0.00 -1.02 0.00 0.00 57.50 56.35 2dip n TRP 82 Cb 0.63 -1.50 -0.15 0.00 -2.42 0.00 0.00 31.31 27.86 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 -1.50 0.03 0.82 -0.99 0.52 0.24 -4.93 118.95 113.14 2dip s ARG 83 Ca 0.46 0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 55.87 2dip s ARG 83 Cb -0.32 -0.24 0.03 0.00 0.52 0.00 0.00 34.95 34.94 2dip s ARG 83 CO 0.73 -0.20 0.71 0.43 0.02 0.00 0.00 175.30 177.00 2dip n SER 84 N 4.43 -0.74 -4.85 0.23 7.64 -1.26 -2.82 113.62 116.25 2dip n SER 84 Ca -0.23 0.51 -0.21 0.00 1.01 0.00 0.00 58.87 59.95 2dip n SER 84 Cb 0.51 -1.31 -0.04 0.00 -1.01 0.00 0.00 64.21 62.36 2dip n SER 84 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dip s LEU 85 N -2.30 3.44 -0.14 -3.43 1.43 -1.26 -4.86 118.68 111.56 2dip s LEU 85 Ca 0.65 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 2dip s LEU 85 Cb -0.29 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2dip s LEU 85 CO 0.59 -0.53 0.03 -1.83 0.23 0.00 0.00 176.35 174.84 2dip s GLU 86 N -4.06 3.53 0.41 1.70 -1.05 -1.26 -5.08 118.70 112.89 2dip s GLU 86 Ca 0.45 -0.38 -0.25 0.00 -0.15 0.00 0.00 54.97 54.64 2dip s GLU 86 Cb -0.04 -3.01 -0.10 0.00 -0.44 0.00 0.00 34.13 30.54 2dip s GLU 86 CO 0.27 0.47 1.19 1.63 0.95 0.00 0.00 175.26 179.77 2dip n LYS 87 N 2.89 1.76 -4.08 -4.83 5.02 -1.26 -5.01 118.16 112.66 2dip n LYS 87 Ca -0.18 0.63 -0.10 0.00 -2.02 0.00 0.00 58.31 56.64 2dip n LYS 87 Cb 0.53 -2.27 -0.08 0.00 -0.02 0.00 0.00 35.03 33.19 2dip n LYS 87 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2dip s ARG 88 N -2.12 1.28 0.08 1.97 1.81 -1.26 -5.12 118.95 115.60 2dip s ARG 88 Ca 0.61 -1.39 -0.31 0.00 -1.72 0.00 0.00 55.73 52.92 2dip s ARG 88 Cb -0.53 0.36 -0.10 0.00 -0.45 0.00 0.00 34.95 34.23 2dip s ARG 88 CO 0.58 -0.47 1.90 0.00 -0.68 0.00 0.00 175.30 176.63 2dip n ALA 89 N -0.28 1.88 -2.54 2.13 0.00 -1.26 -4.99 120.51 115.46 2dip n ALA 89 Ca -0.02 0.27 -0.24 0.00 0.00 0.00 0.00 53.44 53.45 2dip n ALA 89 Cb 0.64 -2.63 -0.09 0.00 0.00 0.00 0.00 19.45 17.37 2dip n ALA 89 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2dip s ASP 90 N 3.52 4.06 -0.94 0.00 1.47 -1.26 -5.07 116.67 118.45 2dip s ASP 90 Ca 0.85 -0.97 -0.23 0.00 1.18 0.00 0.00 52.55 53.38 2dip s ASP 90 Cb -0.47 -0.51 0.06 0.00 -0.34 0.00 0.00 42.92 41.66 2dip s ASP 90 CO 0.40 -0.14 1.35 -0.70 0.68 0.00 0.00 175.17 176.76 2dip s GLU 91 N -3.65 3.50 -0.19 2.11 2.12 -1.26 -4.98 118.70 116.35 2dip s GLU 91 Ca 0.33 -1.06 -0.29 0.00 0.36 0.00 0.00 54.97 54.31 2dip s GLU 91 Cb -0.02 -5.04 -0.02 0.00 0.26 0.00 0.00 34.13 29.31 2dip s GLU 91 CO 0.18 -2.11 1.39 0.08 -0.54 0.00 0.00 175.26 174.26 2dip s VAL 92 N 4.71 4.05 0.52 3.70 1.01 -1.26 -5.01 120.40 128.12 2dip s VAL 92 Ca 0.41 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.67 2dip s VAL 92 Cb -0.03 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2dip s VAL 92 CO -0.05 -0.23 0.24 -0.44 0.00 0.00 0.00 175.10 174.62 2dip s SER 93 N 2.76 4.44 0.00 3.32 0.01 -1.26 -5.13 113.70 117.84 2dip s SER 93 Ca 0.61 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2dip s SER 93 Cb -0.23 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.34 2dip s SER 93 CO 0.21 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2dip n GLY 94 N -1.53 0.96 3.64 3.44 0.00 -1.26 -4.89 105.19 105.55 2dip n GLY 94 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 3.91 -0.17 1.61 0.04 -1.26 -4.98 135.00 134.15 2dip s PRO 95 Ca 0.00 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 62.53 2dip s PRO 95 Cb 0.00 -4.00 -0.01 0.00 0.04 0.00 0.00 34.50 30.53 2dip s PRO 95 CO 0.00 -1.16 0.91 0.45 0.04 0.00 0.00 177.00 177.24 2dip s SER 96 N 3.85 7.04 -0.34 6.66 0.15 -1.26 -5.02 113.70 124.78 2dip s SER 96 Ca 0.70 1.28 0.01 0.00 0.70 0.00 0.00 55.95 58.64 2dip s SER 96 Cb -0.26 -2.49 0.09 0.00 -1.71 0.00 0.00 66.02 61.65 2dip s SER 96 CO 0.28 -0.46 0.06 -0.55 1.20 0.00 0.00 173.24 173.77 2dip s SER 97 N 1.16 4.89 0.00 5.45 0.15 -1.26 -5.27 113.70 118.82 2dip s SER 97 Ca 0.41 -1.83 0.00 0.00 0.70 0.00 0.00 55.95 55.23 2dip s SER 97 Cb -0.17 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2dip s SER 97 CO 0.12 -0.38 0.02 0.61 1.20 0.00 0.00 173.24 174.82