#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dng s SER 27 N 0.00 4.65 0.28 1.61 0.01 -1.26 -4.98 113.70 114.01 2dng s SER 27 Ca 0.00 -1.04 0.11 0.00 1.31 0.00 0.00 55.95 56.34 2dng s SER 27 Cb 0.00 -1.71 0.92 0.00 0.21 0.00 0.00 66.02 65.45 2dng s SER 27 CO 0.00 -0.19 1.28 -1.54 0.41 0.00 0.00 173.24 173.20 2dng n SER 28 N 4.67 0.14 0.00 2.44 3.41 -1.26 -4.75 113.62 118.27 2dng n SER 28 Ca -0.15 1.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 2dng n SER 28 Cb 0.45 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2dng n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dng n GLY 29 N -1.28 3.03 3.39 5.00 0.00 -1.26 -5.07 105.19 109.00 2dng n GLY 29 Ca 0.27 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 2dng n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dng s SER 30 N 0.00 6.19 -0.07 1.61 0.15 -1.26 -5.01 113.70 115.31 2dng s SER 30 Ca 0.00 -1.30 -0.06 0.00 0.70 0.00 0.00 55.95 55.29 2dng s SER 30 Cb 0.00 -2.31 0.02 0.00 -1.71 0.00 0.00 66.02 62.02 2dng s SER 30 CO 0.00 -1.10 0.17 -0.55 1.20 0.00 0.00 173.24 172.96 2dng s SER 31 N 3.46 -0.18 -0.75 5.45 0.15 -1.26 -5.11 113.70 115.46 2dng s SER 31 Ca 0.13 0.35 -0.22 0.00 0.70 0.00 0.00 55.95 56.91 2dng s SER 31 Cb -0.23 0.35 0.08 0.00 -1.71 0.00 0.00 66.02 64.52 2dng s SER 31 CO 0.08 -0.06 1.06 -0.83 1.20 0.00 0.00 173.24 174.68 2dng s GLY 32 N 0.10 1.46 0.14 9.45 0.00 -1.26 -5.02 107.32 112.19 2dng s GLY 32 Ca -0.00 -2.05 -0.08 0.00 0.00 0.00 0.00 44.72 42.59 2dng s GLY 32 CO 0.00 2.13 0.43 0.54 0.00 0.00 0.00 173.10 176.21 2dng s LYS 33 N 3.93 3.74 -0.68 2.90 1.02 -1.26 -5.06 119.74 124.34 2dng s LYS 33 Ca 0.27 0.13 -0.05 0.00 0.02 0.00 0.00 55.97 56.34 2dng s LYS 33 Cb -0.12 -2.87 0.18 0.00 -0.52 0.00 0.00 37.83 34.49 2dng s LYS 33 CO 0.05 0.47 0.52 -1.21 -0.92 0.00 0.00 175.35 174.26 2dng s GLU 34 N -2.34 2.79 0.46 1.68 2.02 -1.26 -5.08 118.70 116.97 2dng s GLU 34 Ca 0.39 -2.56 -0.19 0.00 0.02 0.00 0.00 54.97 52.63 2dng s GLU 34 Cb -0.13 -3.87 -0.10 0.00 0.10 0.00 0.00 34.13 30.13 2dng s GLU 34 CO 0.21 -1.20 0.95 -0.51 0.02 0.00 0.00 175.26 174.73 2dng s LEU 35 N -0.09 3.82 0.22 1.80 1.43 -1.26 -5.02 118.68 119.59 2dng s LEU 35 Ca 0.18 1.62 -0.30 0.00 -1.03 0.00 0.00 54.13 54.60 2dng s LEU 35 Cb -0.18 -4.50 -0.09 0.00 0.03 0.00 0.00 46.19 41.45 2dng s LEU 35 CO -0.05 -0.44 1.32 -2.16 0.23 0.00 0.00 176.35 175.25 2dng s PRO 36 N -3.52 4.38 0.22 1.29 0.04 -1.26 -4.94 135.00 131.21 2dng s PRO 36 Ca 0.60 2.09 0.14 0.00 0.04 0.00 0.00 61.00 63.88 2dng s PRO 36 Cb -0.09 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 2dng s PRO 36 CO 0.20 -0.26 1.30 0.00 0.04 0.00 0.00 177.00 178.29 2dng h THR 37 N 3.64 0.89 -3.50 1.26 1.03 -1.97 -3.47 112.91 110.78 2dng h THR 37 Ca -0.45 -2.31 -0.06 0.00 -0.01 0.00 0.00 66.41 63.58 2dng h THR 37 Cb 1.22 2.40 -0.13 0.00 -1.07 0.00 0.00 68.15 70.57 2dng h THR 37 CO 0.76 0.51 -0.13 -1.83 -0.01 0.00 0.00 175.52 174.82 2dng s GLU 38 N -2.92 1.10 1.12 0.00 4.04 -1.26 -5.14 118.70 115.64 2dng s GLU 38 Ca 0.02 -0.83 -0.12 0.00 0.04 0.00 0.00 54.97 54.08 2dng s GLU 38 Cb 0.08 0.45 0.25 0.00 0.02 0.00 0.00 34.13 34.93 2dng s GLU 38 CO 0.77 -0.42 1.01 -2.30 -1.84 0.00 0.00 175.26 172.48 2dng n PRO 39 N -0.22 -1.99 -1.94 -4.83 -0.02 -1.26 -4.67 135.00 120.06 2dng n PRO 39 Ca -0.14 -0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 60.46 2dng n PRO 39 Cb 0.63 -2.20 0.03 0.00 -0.02 0.00 0.00 33.50 31.94 2dng n PRO 39 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2dng s PRO 40 N -4.42 3.01 -0.80 0.52 0.04 -1.26 -5.12 135.00 126.97 2dng s PRO 40 Ca 0.68 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 63.14 2dng s PRO 40 Cb -0.25 -1.97 0.20 0.00 0.04 0.00 0.00 34.50 32.53 2dng s PRO 40 CO 0.64 -1.10 0.68 0.71 0.04 0.00 0.00 177.00 177.97 2dng s TYR 41 N -2.12 3.71 -0.01 0.56 2.02 -1.26 -5.06 117.35 115.19 2dng s TYR 41 Ca 0.69 -2.66 -0.01 0.00 -0.37 0.00 0.00 57.07 54.72 2dng s TYR 41 Cb -0.22 -3.41 -0.04 0.00 -0.40 0.00 0.00 41.96 37.90 2dng s TYR 41 CO 0.36 -0.85 0.09 0.99 -1.57 0.00 0.00 175.55 174.57 2dng s THR 42 N -0.54 4.80 0.13 -0.71 2.01 -1.26 -1.58 115.64 118.49 2dng s THR 42 Ca 0.22 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 61.94 2dng s THR 42 Cb -0.13 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2dng s THR 42 CO -0.08 0.37 -0.17 0.00 -0.69 0.00 0.00 174.62 174.06 2dng s ALA 43 N -1.18 1.73 -0.27 7.40 0.00 0.14 -3.72 121.76 125.86 2dng s ALA 43 Ca 0.22 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 2dng s ALA 43 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.86 2dng s ALA 43 CO 0.13 0.20 0.04 -0.47 0.00 0.00 0.00 175.76 175.66 2dng s TYR 44 N -1.90 3.10 -0.32 0.00 5.04 -0.34 0.31 117.35 123.23 2dng s TYR 44 Ca 0.11 -0.95 -0.02 0.00 -2.44 0.00 0.00 57.07 53.76 2dng s TYR 44 Cb -0.06 -2.20 0.06 0.00 0.35 0.00 0.00 41.96 40.10 2dng s TYR 44 CO 0.05 -0.56 0.03 0.08 -1.34 0.00 0.00 175.55 173.81 2dng s VAL 45 N 1.49 3.04 0.46 3.14 1.01 0.34 -1.69 120.40 128.20 2dng s VAL 45 Ca 0.03 -1.49 0.03 0.00 0.00 0.00 0.00 61.98 60.55 2dng s VAL 45 Cb -0.16 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.44 2dng s VAL 45 CO 0.01 -0.20 0.21 0.61 0.00 0.00 0.00 175.10 175.73 2dng n GLY 46 N 4.61 3.14 2.31 4.51 0.00 -0.07 -1.67 105.19 118.02 2dng n GLY 46 Ca -0.11 -2.31 -0.10 0.00 0.00 0.00 0.00 46.02 43.50 2dng n GLY 46 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dng n ASN 47 N -1.62 -2.98 -4.57 1.61 4.05 -0.70 -2.71 115.26 108.33 2dng n ASN 47 Ca -0.09 -0.28 -0.32 0.00 0.45 0.00 0.00 54.58 54.35 2dng n ASN 47 Cb 0.55 -2.67 -0.11 0.00 1.23 0.00 0.00 39.78 38.78 2dng n ASN 47 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2dng s LEU 48 N -4.03 3.08 1.03 1.20 1.43 -1.17 -4.49 118.68 115.72 2dng s LEU 48 Ca 0.13 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 2dng s LEU 48 Cb -0.06 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2dng s LEU 48 CO 0.35 0.28 -0.18 -2.65 0.23 0.00 0.00 176.35 174.38 2dng n PRO 49 N 1.60 -0.68 -0.07 1.29 -0.02 -1.26 -4.63 135.00 131.23 2dng n PRO 49 Ca -0.16 -0.18 -0.14 0.00 -2.02 0.00 0.00 63.50 61.00 2dng n PRO 49 Cb 0.52 -1.56 -0.05 0.00 -0.02 0.00 0.00 33.50 32.39 2dng n PRO 49 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2dng h PHE 50 N -1.59 0.92 -0.20 6.00 0.04 -1.96 -3.24 116.94 116.92 2dng h PHE 50 Ca -0.47 -0.32 -0.24 0.00 2.80 0.00 0.00 57.97 59.74 2dng h PHE 50 Cb 1.33 -0.18 -0.09 0.00 2.20 0.00 0.00 35.95 39.22 2dng h PHE 50 CO 0.23 1.11 -0.21 -1.71 -0.60 0.00 0.00 178.31 177.13 2dng n ASN 51 N -4.16 5.49 -4.61 2.17 2.85 -1.26 -4.78 115.26 110.96 2dng n ASN 51 Ca -0.05 -2.62 -0.34 0.00 -0.11 0.00 0.00 54.58 51.46 2dng n ASN 51 Cb 0.56 -1.36 -0.11 0.00 1.24 0.00 0.00 39.78 40.11 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2dng s THR 52 N 0.29 4.14 0.16 -0.44 2.01 -1.22 -5.03 115.64 115.55 2dng s THR 52 Ca 0.61 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.33 2dng s THR 52 Cb 0.31 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 2dng s THR 52 CO -0.04 0.56 0.00 0.68 -0.69 0.00 0.00 174.62 175.13 2dng s VAL 53 N -0.39 0.60 0.28 3.82 -7.23 -1.26 -5.02 120.40 111.20 2dng s VAL 53 Ca 0.07 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 2dng s VAL 53 Cb -0.12 -2.05 0.35 0.00 0.56 0.00 0.00 36.38 35.12 2dng s VAL 53 CO 0.02 -0.53 1.35 1.67 -0.31 0.00 0.00 175.10 177.30 2dng n GLN 54 N -0.19 -0.07 0.28 4.82 7.27 -1.26 -0.66 117.38 127.58 2dng n GLN 54 Ca -0.07 1.27 -0.14 0.00 0.07 0.00 0.00 57.00 58.12 2dng n GLN 54 Cb 0.63 -2.06 -0.07 0.00 2.41 0.00 0.00 30.24 31.15 2dng n GLN 54 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2dng h GLY 55 N 0.00 -1.08 -0.78 1.69 0.00 -1.99 -2.37 103.07 98.53 2dng h GLY 55 Ca 0.56 0.46 0.16 0.00 0.00 0.00 0.00 47.33 48.51 2dng h GLY 55 CO -0.78 -0.36 -0.18 1.22 0.00 0.00 0.00 176.54 176.44 2dng n ASP 56 N -4.64 -0.27 0.36 0.19 8.00 0.17 -0.44 116.55 119.92 2dng n ASP 56 Ca -0.10 1.34 -0.15 0.00 0.71 0.00 0.00 54.79 56.58 2dng n ASP 56 Cb 0.36 -0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 40.97 2dng n ASP 56 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2dng h ILE 57 N 0.00 0.00 -1.75 0.53 1.08 -1.33 -1.84 117.51 114.20 2dng h ILE 57 Ca 0.38 0.00 0.52 0.00 -0.39 0.00 0.00 64.86 65.37 2dng h ILE 57 Cb 0.59 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.26 2dng h ILE 57 CO -0.80 0.00 1.25 -0.78 -0.69 0.00 0.00 178.15 177.13 2dng h ASP 58 N -0.96 0.04 -0.01 1.72 1.82 -0.22 0.73 116.42 119.53 2dng h ASP 58 Ca -0.09 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.51 2dng h ASP 58 Cb 0.76 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.79 2dng h ASP 58 CO 0.11 -0.03 -0.24 0.00 -1.61 0.00 0.00 179.24 177.47 2dng h ALA 59 N 1.17 0.05 -0.78 -0.78 0.00 -0.70 0.21 119.26 118.42 2dng h ALA 59 Ca 0.86 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 55.34 2dng h ALA 59 Cb 3.36 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 21.12 2dng h ALA 59 CO -0.08 0.08 0.52 0.82 0.00 0.00 0.00 179.25 180.59 2dng h ILE 60 N -0.45 1.18 -0.49 0.00 2.04 0.12 -2.20 117.51 117.71 2dng h ILE 60 Ca -0.03 -0.35 -0.25 0.00 1.00 0.00 0.00 64.86 65.23 2dng h ILE 60 Cb 0.97 0.06 -0.15 0.00 -0.74 0.00 0.00 36.82 36.96 2dng h ILE 60 CO 0.05 0.19 0.08 0.49 0.00 0.00 0.00 178.15 178.96 2dng n PHE 61 N -4.43 1.53 0.20 1.37 3.72 -0.37 -4.64 117.46 114.86 2dng n PHE 61 Ca 0.09 -1.64 0.11 0.00 -0.05 0.00 0.00 57.45 55.96 2dng n PHE 61 Cb 0.05 -0.59 0.55 0.00 -0.94 0.00 0.00 39.48 38.55 2dng n PHE 61 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2dng n LYS 62 N -1.10 0.14 0.00 -1.08 2.85 0.06 -0.47 118.16 118.57 2dng n LYS 62 Ca 0.39 0.59 0.14 0.00 -1.05 0.00 0.00 58.31 58.38 2dng n LYS 62 Cb 1.18 -1.93 0.55 0.00 -0.65 0.00 0.00 35.03 34.19 2dng n LYS 62 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2dng n ASP 63 N -2.22 0.85 -4.30 -5.58 5.75 -1.26 -4.83 116.55 104.95 2dng n ASP 63 Ca -0.01 -0.94 -0.28 0.00 -0.01 0.00 0.00 54.79 53.55 2dng n ASP 63 Cb 0.07 0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.03 2dng n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2dng s LEU 64 N -2.32 2.14 -0.59 -2.12 1.43 0.38 -5.08 118.68 112.53 2dng s LEU 64 Ca 0.32 -0.53 -0.27 0.00 -1.03 0.00 0.00 54.13 52.62 2dng s LEU 64 Cb 0.20 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 2dng s LEU 64 CO 0.44 0.23 1.76 -0.44 0.23 0.00 0.00 176.35 178.57 2dng s SER 65 N -1.08 5.49 -0.05 2.29 0.01 -1.26 -4.97 113.70 114.14 2dng s SER 65 Ca 0.10 0.36 -0.19 0.00 1.31 0.00 0.00 55.95 57.53 2dng s SER 65 Cb -0.09 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 2dng s SER 65 CO 0.01 -2.20 0.52 -0.63 0.41 0.00 0.00 173.24 171.35 2dng s ILE 66 N 8.28 5.04 -0.18 1.44 1.01 -1.26 -2.44 121.20 133.07 2dng s ILE 66 Ca 0.64 1.07 -0.04 0.00 0.00 0.00 0.00 60.65 62.33 2dng s ILE 66 Cb -0.13 -3.85 -0.22 0.00 0.01 0.00 0.00 42.46 38.27 2dng s ILE 66 CO 0.22 0.41 0.10 -1.14 0.00 0.00 0.00 174.94 174.53 2dng n ARG 67 N 2.95 0.71 -3.62 2.79 0.00 -0.32 -4.89 116.66 114.27 2dng n ARG 67 Ca -0.08 0.22 -0.06 0.00 -0.00 0.00 0.00 57.85 57.94 2dng n ARG 67 Cb 0.51 -1.63 -0.05 0.00 0.00 0.00 0.00 32.46 31.30 2dng n ARG 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dng s SER 68 N -6.84 -0.19 -0.05 6.15 0.15 -1.07 -5.04 113.70 106.81 2dng s SER 68 Ca -0.28 0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.65 2dng s SER 68 Cb 0.08 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 2dng s SER 68 CO 0.69 -0.16 -0.19 -0.69 1.20 0.00 0.00 173.24 174.09 2dng s VAL 69 N -0.92 2.60 -0.35 4.45 1.01 -1.26 -0.05 120.40 125.87 2dng s VAL 69 Ca 0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2dng s VAL 69 Cb -0.01 -1.98 0.08 0.00 0.00 0.00 0.00 36.38 34.47 2dng s VAL 69 CO -0.05 0.58 0.10 -0.13 0.00 0.00 0.00 175.10 175.60 2dng s ARG 70 N -0.49 2.11 0.08 2.72 1.81 0.69 -4.98 118.95 120.89 2dng s ARG 70 Ca 0.06 -1.60 -0.14 0.00 -1.72 0.00 0.00 55.73 52.33 2dng s ARG 70 Cb -0.12 -3.37 -0.06 0.00 -0.45 0.00 0.00 34.95 30.95 2dng s ARG 70 CO 0.01 -0.87 0.48 -0.51 -0.68 0.00 0.00 175.30 173.73 2dng s LEU 71 N 1.15 4.41 0.04 2.53 1.43 -1.26 -1.39 118.68 125.60 2dng s LEU 71 Ca 0.03 1.01 0.09 0.00 -1.03 0.00 0.00 54.13 54.23 2dng s LEU 71 Cb -0.21 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 2dng s LEU 71 CO -0.03 0.21 -0.26 -0.69 0.23 0.00 0.00 176.35 175.81 2dng s VAL 72 N -1.28 2.08 0.27 -1.59 1.01 -1.26 -5.01 120.40 114.62 2dng s VAL 72 Ca 0.31 -1.34 0.02 0.00 0.00 0.00 0.00 61.98 60.97 2dng s VAL 72 Cb -0.16 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2dng s VAL 72 CO 0.17 0.37 0.16 -0.13 0.00 0.00 0.00 175.10 175.66 2dng s ARG 73 N -1.18 1.46 1.15 2.72 0.52 -1.26 -3.83 118.95 118.54 2dng s ARG 73 Ca 0.11 -1.81 -0.19 0.00 -0.52 0.00 0.00 55.73 53.31 2dng s ARG 73 Cb -0.10 0.06 0.28 0.00 0.52 0.00 0.00 34.95 35.70 2dng s ARG 73 CO 0.02 -0.44 1.20 0.34 0.02 0.00 0.00 175.30 176.44 2dng s ASP 74 N -3.30 1.38 -0.08 0.23 2.15 -0.93 -4.90 116.67 111.23 2dng s ASP 74 Ca 0.38 0.38 0.07 0.00 0.43 0.00 0.00 52.55 53.81 2dng s ASP 74 Cb 0.06 -0.45 -0.10 0.00 -0.30 0.00 0.00 42.92 42.12 2dng s ASP 74 CO 0.17 -3.81 0.04 0.29 -0.17 0.00 0.00 175.17 171.68 2dng n LYS 75 N -4.51 2.52 0.02 4.34 5.02 -1.26 -3.89 118.16 120.39 2dng n LYS 75 Ca 0.16 -0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.43 2dng n LYS 75 Cb 0.60 -1.21 -0.00 0.00 -0.02 0.00 0.00 35.03 34.39 2dng n LYS 75 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2dng h ASP 76 N 0.00 -0.06 0.92 4.39 3.58 -2.00 -3.39 116.42 119.87 2dng h ASP 76 Ca -0.21 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.04 2dng h ASP 76 Cb 1.45 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.49 2dng h ASP 76 CO 0.01 0.06 -1.15 0.71 -2.88 0.00 0.00 179.24 175.99 2dng h THR 77 N -0.27 1.07 -3.75 2.25 1.35 -2.01 -3.48 112.91 108.07 2dng h THR 77 Ca -0.01 -2.70 -0.18 0.00 -0.55 0.00 0.00 66.41 62.98 2dng h THR 77 Cb 0.05 2.49 0.08 0.00 -1.73 0.00 0.00 68.15 69.04 2dng h THR 77 CO 0.01 0.61 -0.38 0.47 -0.25 0.00 0.00 175.52 175.98 2dng n ASP 78 N -3.15 -2.69 -4.44 5.36 9.92 -1.25 -5.01 116.55 115.28 2dng n ASP 78 Ca -0.06 -0.30 -0.25 0.00 -0.53 0.00 0.00 54.79 53.65 2dng n ASP 78 Cb 0.90 -2.85 -0.11 0.00 -0.64 0.00 0.00 41.12 38.43 2dng n ASP 78 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2dng s LYS 79 N -4.99 1.58 0.16 -1.24 -0.14 -1.26 -4.75 119.74 109.10 2dng s LYS 79 Ca 0.09 -1.65 -0.34 0.00 -1.36 0.00 0.00 55.97 52.71 2dng s LYS 79 Cb -0.04 -1.75 -0.14 0.00 -1.68 0.00 0.00 37.83 34.22 2dng s LYS 79 CO 0.37 0.35 1.57 0.34 -0.76 0.00 0.00 175.35 177.22 2dng n PHE 80 N -0.22 2.25 0.11 3.18 7.35 -1.26 -2.19 117.46 126.68 2dng n PHE 80 Ca -0.08 0.28 -0.23 0.00 -0.76 0.00 0.00 57.45 56.65 2dng n PHE 80 Cb 0.58 -2.54 -0.15 0.00 0.35 0.00 0.00 39.48 37.72 2dng n PHE 80 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2dng h LYS 81 N 5.89 0.45 0.00 -4.13 1.57 -1.92 -3.47 116.57 114.95 2dng h LYS 81 Ca -0.45 -0.76 0.00 0.00 -1.87 0.00 0.00 60.65 57.57 2dng h LYS 81 Cb 1.26 0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.85 2dng h LYS 81 CO 0.89 1.37 0.00 0.41 -0.57 0.00 0.00 179.45 181.54 2dng n GLY 82 N 1.71 1.26 3.59 3.86 0.00 -1.26 -5.03 105.19 109.32 2dng n GLY 82 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 2dng n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dng s PHE 83 N -1.26 -0.65 0.17 1.61 -0.12 -1.26 -1.73 117.98 114.75 2dng s PHE 83 Ca 0.00 1.41 -0.16 0.00 -0.05 0.00 0.00 56.93 58.13 2dng s PHE 83 Cb 0.00 0.35 0.02 0.00 -0.63 0.00 0.00 43.02 42.76 2dng s PHE 83 CO 0.00 -0.41 0.46 0.00 -0.05 0.00 0.00 175.22 175.22 2dng s TYR 85 N -3.87 3.20 -0.21 0.00 1.51 -0.48 -0.50 117.35 117.00 2dng s TYR 85 Ca 0.09 0.07 -0.04 0.00 -1.01 0.00 0.00 57.07 56.18 2dng s TYR 85 Cb 0.00 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 2dng s TYR 85 CO -0.05 0.27 -0.04 0.08 -1.11 0.00 0.00 175.55 174.70 2dng s VAL 86 N -0.17 3.51 -0.36 0.71 1.01 0.15 -0.22 120.40 125.03 2dng s VAL 86 Ca 0.06 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 2dng s VAL 86 Cb -0.12 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2dng s VAL 86 CO 0.02 0.43 0.61 -0.70 0.00 0.00 0.00 175.10 175.46 2dng s GLU 87 N 1.23 3.65 0.71 2.72 2.12 0.92 -0.68 118.70 129.36 2dng s GLU 87 Ca 0.03 -0.00 -0.05 0.00 0.36 0.00 0.00 54.97 55.31 2dng s GLU 87 Cb -0.14 -3.81 0.09 0.00 0.26 0.00 0.00 34.13 30.52 2dng s GLU 87 CO -0.01 -0.73 0.99 -0.06 -0.54 0.00 0.00 175.26 174.92 2dng s PHE 88 N 2.65 2.41 -0.06 5.30 0.08 -0.61 -1.18 117.98 126.56 2dng s PHE 88 Ca 0.23 0.15 -0.05 0.00 0.12 0.00 0.00 56.93 57.38 2dng s PHE 88 Cb -0.15 -3.16 -0.02 0.00 -0.57 0.00 0.00 43.02 39.13 2dng s PHE 88 CO 0.15 -1.52 -0.09 -3.47 -0.10 0.00 0.00 175.22 170.19 2dng n ASP 89 N -2.87 0.76 -4.78 1.36 2.03 -1.02 -4.52 116.55 107.50 2dng n ASP 89 Ca 0.11 0.34 -0.29 0.00 0.52 0.00 0.00 54.79 55.47 2dng n ASP 89 Cb 0.60 -0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 40.30 2dng n ASP 89 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2dng s GLU 90 N -1.58 2.86 0.63 -0.67 -1.05 -1.26 -4.86 118.70 112.77 2dng s GLU 90 Ca -0.08 -0.77 0.29 0.00 -0.15 0.00 0.00 54.97 54.27 2dng s GLU 90 Cb 0.01 -2.68 1.56 0.00 -0.44 0.00 0.00 34.13 32.58 2dng s GLU 90 CO 0.11 0.53 1.92 -0.24 0.95 0.00 0.00 175.26 178.53 2dng h VAL 91 N 2.40 0.16 -0.23 1.83 3.04 -1.97 -0.09 116.25 121.40 2dng h VAL 91 Ca -0.47 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.18 2dng h VAL 91 Cb 1.18 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 2dng h VAL 91 CO 0.64 0.00 -0.03 0.44 -1.01 0.00 0.00 177.57 177.62 2dng h ASP 92 N 0.00 0.43 -0.69 3.17 5.19 -1.99 -1.08 116.42 121.45 2dng h ASP 92 Ca 0.08 -0.34 0.07 0.00 -0.62 0.00 0.00 57.03 56.23 2dng h ASP 92 Cb 0.85 -0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.18 2dng h ASP 92 CO -0.00 0.66 0.36 0.28 -3.12 0.00 0.00 179.24 177.43 2dng h SER 93 N 0.18 0.51 -0.30 6.45 0.02 -1.39 -2.10 113.55 116.93 2dng h SER 93 Ca 0.06 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2dng h SER 93 Cb 0.46 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2dng h SER 93 CO 0.02 0.32 -0.18 0.25 -1.14 0.00 0.00 176.83 176.09 2dng h LEU 94 N 0.65 0.68 -0.79 5.07 5.85 -1.53 -2.14 115.31 123.10 2dng h LEU 94 Ca 0.32 -0.43 0.16 0.00 0.84 0.00 0.00 57.88 58.77 2dng h LEU 94 Cb 0.26 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.00 2dng h LEU 94 CO -0.22 0.96 0.32 0.11 -0.34 0.00 0.00 178.44 179.27 2dng h LYS 95 N 0.41 0.43 -0.14 1.25 1.57 -0.61 0.58 116.57 120.06 2dng h LYS 95 Ca 0.06 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2dng h LYS 95 Cb 0.72 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2dng h LYS 95 CO 0.05 0.29 -0.30 1.49 -0.57 0.00 0.00 179.45 180.41 2dng h GLU 96 N 0.45 0.46 -0.22 3.15 4.81 -1.34 -3.09 114.58 118.80 2dng h GLU 96 Ca 0.44 -0.30 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 2dng h GLU 96 Cb 0.70 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2dng h GLU 96 CO -0.43 0.91 0.17 0.00 -0.73 0.00 0.00 179.01 178.93 2dng h ALA 97 N 0.55 2.11 0.00 2.92 0.00 -0.59 0.17 119.26 124.42 2dng h ALA 97 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dng h ALA 97 Cb 0.90 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2dng h ALA 97 CO 0.07 -0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.31 2dng n LEU 98 N -4.31 0.66 0.05 0.00 4.77 0.10 -1.76 117.00 116.51 2dng n LEU 98 Ca 0.02 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.81 2dng n LEU 98 Cb 0.31 -0.61 0.38 0.00 -2.33 0.00 0.00 43.42 41.17 2dng n LEU 98 CO 0.33 -0.61 0.70 0.35 -1.33 0.00 0.00 177.39 176.83 2dng n THR 99 N -2.25 0.29 1.07 -5.08 -2.24 0.61 -3.38 114.28 103.30 2dng n THR 99 Ca 0.02 -0.17 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 2dng n THR 99 Cb 0.21 -0.32 0.57 0.00 -2.10 0.00 0.00 70.33 68.69 2dng n THR 99 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dng n TYR 100 N -1.91 0.00 -2.23 4.78 4.02 -0.72 -4.63 117.16 116.46 2dng n TYR 100 Ca 0.05 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.59 2dng n TYR 100 Cb 0.40 -0.29 -0.04 0.00 -0.02 0.00 0.00 39.34 39.39 2dng n TYR 100 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2dng s ASP 101 N -2.59 5.62 0.00 7.72 2.15 -1.22 -2.46 116.67 125.89 2dng s ASP 101 Ca 0.21 -0.46 0.00 0.00 0.43 0.00 0.00 52.55 52.74 2dng s ASP 101 Cb 0.15 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2dng s ASP 101 CO 0.35 -2.23 0.00 0.61 -0.17 0.00 0.00 175.17 173.73 2dng n GLY 102 N 6.22 0.80 3.94 2.66 0.00 -1.25 -4.98 105.19 112.57 2dng n GLY 102 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 2dng n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dng s ALA 103 N -0.48 3.49 -0.13 4.61 0.00 -1.03 -4.94 121.76 123.28 2dng s ALA 103 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 2dng s ALA 103 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2dng s ALA 103 CO 0.00 -0.76 -0.03 -0.51 0.00 0.00 0.00 175.76 174.46 2dng s LEU 104 N -4.88 3.33 -0.47 0.00 1.43 -1.26 -1.77 118.68 115.05 2dng s LEU 104 Ca 0.54 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.52 2dng s LEU 104 Cb -0.10 -1.79 0.12 0.00 0.03 0.00 0.00 46.19 44.45 2dng s LEU 104 CO 0.42 0.23 0.32 -0.22 0.23 0.00 0.00 176.35 177.33 2dng s LEU 105 N -0.01 5.52 0.00 1.79 2.96 0.87 -4.91 118.68 124.90 2dng s LEU 105 Ca 0.01 -2.08 0.00 0.00 -0.22 0.00 0.00 54.13 51.84 2dng s LEU 105 Cb -0.13 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.62 2dng s LEU 105 CO 0.02 -0.60 0.00 0.61 -1.32 0.00 0.00 176.35 175.06 2dng n GLY 106 N 4.62 3.34 1.70 7.98 0.00 -1.26 -1.68 105.19 119.88 2dng n GLY 106 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2dng n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dng n ASP 107 N 9.41 5.09 -2.37 1.61 5.68 -1.26 -4.94 116.55 129.77 2dng n ASP 107 Ca 0.00 -2.70 -0.11 0.00 -0.50 0.00 0.00 54.79 51.48 2dng n ASP 107 Cb 0.00 -0.63 -0.04 0.00 -1.14 0.00 0.00 41.12 39.31 2dng n ASP 107 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2dng n ARG 108 N 0.78 0.31 -3.71 0.11 1.74 -0.68 -5.16 116.66 110.05 2dng n ARG 108 Ca 0.25 -2.01 -0.24 0.00 -0.77 0.00 0.00 57.85 55.08 2dng n ARG 108 Cb 1.03 1.72 -0.01 0.00 -1.02 0.00 0.00 32.46 34.18 2dng n ARG 108 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2dng s SER 109 N -2.44 4.79 0.02 0.55 0.01 -1.26 -0.09 113.70 115.28 2dng s SER 109 Ca 0.23 -1.05 0.09 0.00 1.31 0.00 0.00 55.95 56.53 2dng s SER 109 Cb 0.01 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.29 2dng s SER 109 CO 0.17 -0.97 -0.26 -0.76 0.41 0.00 0.00 173.24 171.83 2dng s LEU 110 N -4.26 2.17 -0.31 2.44 1.43 -0.73 -4.43 118.68 114.99 2dng s LEU 110 Ca 0.42 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2dng s LEU 110 Cb -0.03 -1.32 0.10 0.00 0.03 0.00 0.00 46.19 44.97 2dng s LEU 110 CO 0.25 0.28 0.11 -0.60 0.23 0.00 0.00 176.35 176.62 2dng s ARG 111 N -1.06 0.57 -0.32 1.70 3.00 -1.10 -3.94 118.95 117.80 2dng s ARG 111 Ca 0.11 -0.94 -0.02 0.00 -1.00 0.00 0.00 55.73 53.88 2dng s ARG 111 Cb -0.10 -1.74 0.06 0.00 0.00 0.00 0.00 34.95 33.17 2dng s ARG 111 CO 0.01 -1.00 0.04 0.08 0.00 0.00 0.00 175.30 174.43 2dng s VAL 112 N 1.72 3.03 0.13 7.11 1.01 -1.26 -0.89 120.40 131.25 2dng s VAL 112 Ca 0.10 -1.53 0.05 0.00 0.00 0.00 0.00 61.98 60.60 2dng s VAL 112 Cb -0.17 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2dng s VAL 112 CO -0.28 -0.23 -0.11 -0.62 0.00 0.00 0.00 175.10 173.86 2dng s ASP 113 N 1.34 1.78 0.36 3.32 2.15 -0.68 -4.60 116.67 120.35 2dng s ASP 113 Ca -0.02 -0.92 -0.28 0.00 0.43 0.00 0.00 52.55 51.75 2dng s ASP 113 Cb -0.20 -0.02 -0.11 0.00 -0.30 0.00 0.00 42.92 42.29 2dng s ASP 113 CO -0.02 -0.27 1.43 -0.63 -0.17 0.00 0.00 175.17 175.51 2dng s ILE 114 N -2.85 2.25 -0.47 4.11 1.01 -1.26 -1.20 121.20 122.79 2dng s ILE 114 Ca 0.12 0.25 0.05 0.00 0.00 0.00 0.00 60.65 61.08 2dng s ILE 114 Cb -0.00 -3.16 0.41 0.00 0.01 0.00 0.00 42.46 39.71 2dng s ILE 114 CO 0.01 0.06 1.13 0.00 0.00 0.00 0.00 174.94 176.14 2dng n ALA 115 N 0.55 5.09 -3.01 9.38 0.00 -1.24 -4.72 120.51 126.55 2dng n ALA 115 Ca 0.01 -4.36 -0.44 0.00 0.00 0.00 0.00 53.44 48.64 2dng n ALA 115 Cb 0.40 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 2dng n ALA 115 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2dng s GLU 116 N -3.56 3.89 0.34 0.00 2.02 -1.26 -4.86 118.70 115.27 2dng s GLU 116 Ca 0.48 -2.35 -0.29 0.00 0.02 0.00 0.00 54.97 52.84 2dng s GLU 116 Cb 0.39 -4.90 -0.10 0.00 0.10 0.00 0.00 34.13 29.61 2dng s GLU 116 CO -0.19 -1.67 1.33 0.20 0.02 0.00 0.00 175.26 174.94 2dng s GLY 117 N 2.90 2.99 -0.83 -1.39 0.00 -1.26 -4.92 107.32 104.82 2dng s GLY 117 Ca 0.36 1.30 -0.25 0.00 0.00 0.00 0.00 44.72 46.12 2dng s GLY 117 CO -0.05 1.95 1.51 -1.60 0.00 0.00 0.00 173.10 174.91 2dng s ARG 118 N -1.83 3.14 -0.73 2.90 6.06 -1.26 -4.91 118.95 122.33 2dng s ARG 118 Ca 0.49 -0.38 0.03 0.00 -2.50 0.00 0.00 55.73 53.38 2dng s ARG 118 Cb -0.40 -4.68 0.18 0.00 0.06 0.00 0.00 34.95 30.10 2dng s ARG 118 CO 0.54 -2.41 0.54 0.15 -2.50 0.00 0.00 175.30 171.61 2dng s LYS 119 N 5.87 2.61 -0.37 5.12 -0.14 -1.26 -5.06 119.74 126.51 2dng s LYS 119 Ca 0.48 -3.26 -0.29 0.00 -1.36 0.00 0.00 55.97 51.54 2dng s LYS 119 Cb -0.06 -3.54 0.01 0.00 -1.68 0.00 0.00 37.83 32.56 2dng s LYS 119 CO 0.06 -1.26 1.29 -0.65 -0.76 0.00 0.00 175.35 174.03 2dng s GLN 120 N -1.31 3.77 0.29 1.68 -0.21 -1.26 -5.01 119.66 117.61 2dng s GLN 120 Ca 0.25 1.00 0.09 0.00 0.02 0.00 0.00 55.36 56.71 2dng s GLN 120 Cb -0.07 -3.93 -0.04 0.00 1.00 0.00 0.00 33.01 29.97 2dng s GLN 120 CO -0.14 -1.31 0.07 -0.51 -2.12 0.00 0.00 175.29 171.28 2dng s ASP 121 N 3.05 4.69 -0.02 5.90 1.11 -1.26 -5.06 116.67 125.08 2dng s ASP 121 Ca 0.56 -0.65 -0.24 0.00 0.18 0.00 0.00 52.55 52.39 2dng s ASP 121 Cb -0.14 -0.86 -0.18 0.00 1.07 0.00 0.00 42.92 42.82 2dng s ASP 121 CO 0.27 -0.11 1.17 0.50 1.18 0.00 0.00 175.17 178.19 2dng h LYS 122 N 1.73 -0.16 -1.43 8.23 3.64 -2.08 -3.47 116.57 123.02 2dng h LYS 122 Ca -0.44 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.06 2dng h LYS 122 Cb 1.25 0.04 -0.27 0.00 -0.41 0.00 0.00 32.23 32.84 2dng h LYS 122 CO 0.61 0.25 0.61 -1.54 -2.27 0.00 0.00 179.45 177.12 2dng s SER 123 N -5.45 -0.31 -0.77 4.20 1.04 -1.26 -5.11 113.70 106.04 2dng s SER 123 Ca -0.15 0.52 -0.00 0.00 0.48 0.00 0.00 55.95 56.80 2dng s SER 123 Cb 0.02 0.50 0.19 0.00 0.10 0.00 0.00 66.02 66.82 2dng s SER 123 CO 0.59 -0.16 0.61 -0.83 0.98 0.00 0.00 173.24 174.43 2dng s GLY 124 N -0.25 2.88 0.63 7.32 0.00 -1.26 -5.08 107.32 111.56 2dng s GLY 124 Ca 0.03 -3.68 -0.16 0.00 0.00 0.00 0.00 44.72 40.92 2dng s GLY 124 CO -0.07 1.14 1.11 2.56 0.00 0.00 0.00 173.10 177.84 2dng s PRO 125 N -1.02 2.94 0.07 2.90 0.04 -1.26 -5.07 135.00 133.60 2dng s PRO 125 Ca 0.24 1.41 0.06 0.00 0.04 0.00 0.00 61.00 62.74 2dng s PRO 125 Cb -0.11 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2dng s PRO 125 CO -0.11 -1.14 -0.16 0.45 0.04 0.00 0.00 177.00 176.08 2dng s SER 126 N -2.48 1.91 -0.34 6.66 0.15 -1.26 -5.11 113.70 113.23 2dng s SER 126 Ca 0.67 -0.57 -0.29 0.00 0.70 0.00 0.00 55.95 56.46 2dng s SER 126 Cb -0.21 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 2dng s SER 126 CO 0.39 0.00 1.13 -0.94 1.20 0.00 0.00 173.24 175.02 2dng s SER 127 N -1.55 6.83 0.00 5.45 1.04 -1.26 -5.36 113.70 118.85 2dng s SER 127 Ca 0.02 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.44 2dng s SER 127 Cb -0.09 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2dng s SER 127 CO 0.02 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.87