#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pfu s ASP 44 N 0.00 7.43 0.07 7.83 2.15 -1.26 -5.05 116.67 127.85 2pfu s ASP 44 Ca 0.00 2.13 -0.14 0.00 0.43 0.00 0.00 52.55 54.97 2pfu s ASP 44 Cb 0.00 -2.62 0.02 0.00 -0.30 0.00 0.00 42.92 40.02 2pfu s ASP 44 CO 0.00 -0.01 0.31 0.68 -0.17 0.00 0.00 175.17 175.98 2pfu s VAL 45 N -1.17 0.09 -0.12 1.11 -7.23 -1.26 -5.17 120.40 106.65 2pfu s VAL 45 Ca 0.43 -0.74 -0.08 0.00 -1.81 0.00 0.00 61.98 59.77 2pfu s VAL 45 Cb -0.29 -1.08 0.04 0.00 0.56 0.00 0.00 36.38 35.61 2pfu s VAL 45 CO 0.37 -0.41 0.31 -1.59 -0.31 0.00 0.00 175.10 173.47 2pfu s LYS 46 N -3.11 0.31 0.36 4.82 -2.85 -1.26 -5.17 119.74 112.84 2pfu s LYS 46 Ca -0.01 0.54 0.04 0.00 -1.00 0.00 0.00 55.97 55.53 2pfu s LYS 46 Cb 0.01 0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.77 2pfu s LYS 46 CO -0.07 -0.11 0.12 0.14 0.10 0.00 0.00 175.35 175.53 2pfu s VAL 47 N 0.82 0.65 -0.06 1.79 -7.23 -1.26 -5.16 120.40 109.95 2pfu s VAL 47 Ca -0.05 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.10 2pfu s VAL 47 Cb -0.06 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.42 2pfu s VAL 47 CO -0.06 0.00 0.01 0.21 -0.31 0.00 0.00 175.10 174.96 2pfu s ASN 48 N -3.52 1.44 0.74 4.85 2.47 -1.26 -5.15 114.94 114.51 2pfu s ASN 48 Ca 0.29 -0.05 -0.11 0.00 0.42 0.00 0.00 52.86 53.42 2pfu s ASN 48 Cb 0.04 -0.37 0.03 0.00 -1.45 0.00 0.00 41.25 39.50 2pfu s ASN 48 CO 0.15 -0.20 1.07 -0.76 -3.72 0.00 0.00 177.10 173.65 2pfu s LEU 49 N 1.96 3.02 0.00 3.21 1.02 -1.26 -5.06 118.68 121.56 2pfu s LEU 49 Ca 0.04 1.64 -0.05 0.00 0.02 0.00 0.00 54.13 55.78 2pfu s LEU 49 Cb -0.12 -4.42 0.08 0.00 0.02 0.00 0.00 46.19 41.74 2pfu s LEU 49 CO -0.05 -1.71 0.27 -0.81 0.02 0.00 0.00 176.35 174.08 2pfu n PRO 50 N -3.30 -1.56 -3.27 1.29 -0.04 -1.26 -5.10 135.00 121.77 2pfu n PRO 50 Ca 0.08 -0.44 0.02 0.00 -0.04 0.00 0.00 63.50 63.12 2pfu n PRO 50 Cb 0.54 -0.41 0.01 0.00 -0.04 0.00 0.00 33.50 33.59 2pfu n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pfu n ALA 51 N -3.47 -2.38 -1.28 0.55 0.00 -1.26 -5.17 120.51 107.51 2pfu n ALA 51 Ca -0.05 -0.54 0.16 0.00 0.00 0.00 0.00 53.44 53.00 2pfu n ALA 51 Cb 0.15 0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 2pfu n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pfu n SER 52 N -0.78 -7.19 -3.12 0.00 3.41 -1.26 -5.07 113.62 99.61 2pfu n SER 52 Ca 0.03 1.16 -0.09 0.00 -0.26 0.00 0.00 58.87 59.71 2pfu n SER 52 Cb 0.39 -4.30 0.01 0.00 -0.26 0.00 0.00 64.21 60.05 2pfu n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2pfu s THR 53 N -3.79 0.00 0.03 6.66 -4.23 -1.26 -5.19 115.64 107.86 2pfu s THR 53 Ca 0.00 -1.04 -0.22 0.00 -1.18 0.00 0.00 61.69 59.25 2pfu s THR 53 Cb 0.00 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.19 2pfu s THR 53 CO 0.00 0.00 0.51 -0.94 -0.54 0.00 0.00 174.62 173.65 2pfu s SER 54 N -3.05 -0.42 -0.49 3.99 1.04 -1.26 -5.11 113.70 108.39 2pfu s SER 54 Ca 0.15 0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.84 2pfu s SER 54 Cb -0.05 0.48 0.22 0.00 0.10 0.00 0.00 66.02 66.77 2pfu s SER 54 CO 0.11 -0.68 0.81 0.41 0.98 0.00 0.00 173.24 174.87 2pfu n THR 55 N 0.52 -0.07 -0.63 2.02 -1.04 -1.26 -5.16 114.28 108.67 2pfu n THR 55 Ca -0.19 -1.53 -0.08 0.00 -2.04 0.00 0.00 64.05 60.22 2pfu n THR 55 Cb 0.60 1.10 0.06 0.00 -1.82 0.00 0.00 70.33 70.27 2pfu n THR 55 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2pfu n PRO 56 N 2.04 -1.56 -3.23 -2.82 -0.04 -1.26 -5.05 135.00 123.09 2pfu n PRO 56 Ca 0.13 -0.44 -0.25 0.00 -0.04 0.00 0.00 63.50 62.90 2pfu n PRO 56 Cb 0.60 -0.41 -0.08 0.00 -0.04 0.00 0.00 33.50 33.57 2pfu n PRO 56 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2pfu n GLN 57 N -2.35 0.64 -0.37 0.54 6.02 -1.26 -5.13 117.38 115.47 2pfu n GLN 57 Ca 0.04 -3.23 -0.11 0.00 -0.01 0.00 0.00 57.00 53.69 2pfu n GLN 57 Cb 0.15 -1.31 0.09 0.00 1.02 0.00 0.00 30.24 30.19 2pfu n GLN 57 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2pfu n PRO 58 N 1.67 -1.80 -3.46 -1.09 -0.04 -1.26 -5.00 135.00 124.02 2pfu n PRO 58 Ca 0.23 -0.63 -0.30 0.00 -0.04 0.00 0.00 63.50 62.76 2pfu n PRO 58 Cb 0.52 -0.59 -0.07 0.00 -0.04 0.00 0.00 33.50 33.32 2pfu n PRO 58 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2pfu n ARG 59 N -2.71 2.73 -0.80 0.54 1.74 -1.26 -5.08 116.66 111.82 2pfu n ARG 59 Ca 0.05 -4.61 -0.23 0.00 -0.77 0.00 0.00 57.85 52.29 2pfu n ARG 59 Cb 0.21 -2.32 0.19 0.00 -1.02 0.00 0.00 32.46 29.53 2pfu n ARG 59 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2pfu n PRO 60 N 1.24 -2.67 -2.74 5.56 -0.04 -1.26 -4.75 135.00 130.34 2pfu n PRO 60 Ca 0.27 -1.34 -0.02 0.00 -0.04 0.00 0.00 63.50 62.37 2pfu n PRO 60 Cb 0.38 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2pfu n PRO 60 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2pfu n GLU 61 N -4.08 -3.23 -3.88 0.54 1.02 -1.26 -5.07 120.64 104.68 2pfu n GLU 61 Ca 0.12 2.63 -0.09 0.00 -0.02 0.00 0.00 57.16 59.80 2pfu n GLU 61 Cb 0.45 -5.46 -0.07 0.00 -0.02 0.00 0.00 31.44 26.34 2pfu n GLU 61 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2pfu s LYS 62 N -1.87 0.87 0.44 3.49 1.02 -1.26 -5.15 119.74 117.27 2pfu s LYS 62 Ca 0.06 -1.00 -0.24 0.00 0.02 0.00 0.00 55.97 54.81 2pfu s LYS 62 Cb -0.02 0.34 -0.08 0.00 -0.52 0.00 0.00 37.83 37.55 2pfu s LYS 62 CO 0.78 -0.28 1.17 -1.25 -0.92 0.00 0.00 175.35 174.86 2pfu s PRO 63 N -3.88 3.87 -0.19 -1.68 0.04 -1.26 -4.98 135.00 126.92 2pfu s PRO 63 Ca 0.07 1.82 -0.01 0.00 0.04 0.00 0.00 61.00 62.91 2pfu s PRO 63 Cb 0.05 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2pfu s PRO 63 CO -0.10 -0.47 -0.12 0.08 0.04 0.00 0.00 177.00 176.43 2pfu s VAL 64 N -1.49 2.79 -0.09 -0.36 1.01 -1.24 -5.10 120.40 115.92 2pfu s VAL 64 Ca 0.61 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2pfu s VAL 64 Cb -0.30 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 33.88 2pfu s VAL 64 CO 0.37 0.49 -0.13 -0.47 0.00 0.00 0.00 175.10 175.35 2pfu s TYR 65 N 1.20 1.74 -0.09 5.22 6.14 -1.26 -2.21 117.35 128.09 2pfu s TYR 65 Ca 0.02 -0.77 -0.04 0.00 0.64 0.00 0.00 57.07 56.91 2pfu s TYR 65 Cb -0.14 -1.28 -0.04 0.00 0.42 0.00 0.00 41.96 40.92 2pfu s TYR 65 CO -0.05 -0.42 0.10 -0.51 0.64 0.00 0.00 175.55 175.31 2pfu s LEU 66 N 0.98 4.10 -0.16 6.97 1.43 -0.73 -4.89 118.68 126.39 2pfu s LEU 66 Ca -0.08 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2pfu s LEU 66 Cb -0.15 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.04 2pfu s LEU 66 CO -0.01 0.37 -0.06 -0.44 0.23 0.00 0.00 176.35 176.45 2pfu s SER 67 N -1.16 2.70 -0.03 2.29 0.01 -1.25 -1.94 113.70 114.33 2pfu s SER 67 Ca 0.17 -0.59 0.08 0.00 1.31 0.00 0.00 55.95 56.91 2pfu s SER 67 Cb -0.12 -0.89 -0.02 0.00 0.21 0.00 0.00 66.02 65.20 2pfu s SER 67 CO 0.06 -0.17 -0.26 0.68 0.41 0.00 0.00 173.24 173.96 2pfu s VAL 68 N 1.65 2.05 -0.13 3.43 -7.23 -0.10 -0.09 120.40 119.98 2pfu s VAL 68 Ca 0.02 -1.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 2pfu s VAL 68 Cb -0.15 -1.70 0.11 0.00 0.56 0.00 0.00 36.38 35.20 2pfu s VAL 68 CO -0.08 0.58 0.88 -1.59 -0.31 0.00 0.00 175.10 174.59 2pfu s LYS 69 N -0.55 0.75 -0.11 4.82 0.00 -0.15 -1.31 119.74 123.20 2pfu s LYS 69 Ca 0.08 0.22 -0.08 0.00 0.00 0.00 0.00 55.97 56.19 2pfu s LYS 69 Cb -0.11 0.36 0.03 0.00 0.00 0.00 0.00 37.83 38.11 2pfu s LYS 69 CO -0.00 -0.23 0.16 0.00 0.00 0.00 0.00 175.35 175.28 2pfu n ALA 70 N 0.90 -3.20 -1.91 0.59 0.00 -1.26 -2.04 120.51 113.60 2pfu n ALA 70 Ca -0.13 1.73 -0.18 0.00 0.00 0.00 0.00 53.44 54.85 2pfu n ALA 70 Cb 0.57 -3.51 -0.05 0.00 0.00 0.00 0.00 19.45 16.46 2pfu n ALA 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pfu n ASP 71 N 1.59 -5.00 -3.13 0.00 8.00 -1.26 -1.47 116.55 115.29 2pfu n ASP 71 Ca -0.28 0.28 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 2pfu n ASP 71 Cb 0.43 -4.35 0.07 0.00 -0.02 0.00 0.00 41.12 37.25 2pfu n ASP 71 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pfu n ASN 72 N -1.44 -3.99 -4.65 -2.24 3.02 -1.26 -4.98 115.26 99.72 2pfu n ASN 72 Ca -0.20 -0.50 -0.39 0.00 -0.03 0.00 0.00 54.58 53.46 2pfu n ASN 72 Cb 0.63 -4.44 -0.07 0.00 -0.61 0.00 0.00 39.78 35.28 2pfu n ASN 72 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2pfu s SER 73 N -3.70 6.50 0.16 6.41 1.04 -0.54 -4.72 113.70 118.84 2pfu s SER 73 Ca 0.26 0.60 -0.30 0.00 0.48 0.00 0.00 55.95 56.99 2pfu s SER 73 Cb -0.12 -2.28 -0.07 0.00 0.10 0.00 0.00 66.02 63.66 2pfu s SER 73 CO 0.63 -0.20 0.96 -0.04 0.98 0.00 0.00 173.24 175.57 2pfu s MET 74 N 1.80 4.75 -0.33 4.02 -1.94 -1.23 -0.97 119.30 125.41 2pfu s MET 74 Ca 0.22 1.47 0.00 0.00 -1.71 0.00 0.00 55.69 55.68 2pfu s MET 74 Cb -0.15 -3.34 0.14 0.00 2.01 0.00 0.00 34.83 33.48 2pfu s MET 74 CO 0.09 0.31 0.27 0.12 -0.01 0.00 0.00 175.02 175.81 2pfu s PHE 75 N -0.41 -0.01 0.59 -0.03 2.19 0.87 -2.38 117.98 118.80 2pfu s PHE 75 Ca 0.45 -0.83 -0.10 0.00 0.33 0.00 0.00 56.93 56.78 2pfu s PHE 75 Cb -0.24 -0.62 -0.04 0.00 -1.31 0.00 0.00 43.02 40.81 2pfu s PHE 75 CO 0.31 -0.90 0.98 0.42 1.83 0.00 0.00 175.22 177.86 2pfu s ILE 76 N 1.73 4.74 -0.67 3.12 -1.09 -0.79 -4.49 121.20 123.76 2pfu s ILE 76 Ca 0.14 0.77 -0.28 0.00 -2.23 0.00 0.00 60.65 59.04 2pfu s ILE 76 Cb -0.17 -3.86 -0.13 0.00 -1.58 0.00 0.00 42.46 36.72 2pfu s ILE 76 CO -0.17 -1.08 2.51 0.61 -1.23 0.00 0.00 174.94 175.59 2pfu n GLY 77 N -2.61 -0.04 2.45 6.18 0.00 -1.26 -0.17 105.19 109.74 2pfu n GLY 77 Ca 0.05 0.86 -0.17 0.00 0.00 0.00 0.00 46.02 46.76 2pfu n GLY 77 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pfu n ASN 78 N 13.57 -5.00 -3.11 1.61 5.15 -1.26 -4.91 115.26 121.31 2pfu n ASN 78 Ca 0.48 0.31 -0.19 0.00 -0.60 0.00 0.00 54.58 54.58 2pfu n ASN 78 Cb 0.34 -4.00 -0.05 0.00 -0.53 0.00 0.00 39.78 35.54 2pfu n ASN 78 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2pfu n ASP 79 N -0.82 -1.28 -4.76 1.20 8.00 0.76 -5.13 116.55 114.52 2pfu n ASP 79 Ca -0.17 -2.71 -0.41 0.00 0.71 0.00 0.00 54.79 52.21 2pfu n ASP 79 Cb 0.57 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.90 2pfu n ASP 79 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2pfu s PRO 80 N -0.02 4.44 0.34 -0.24 0.04 -1.25 -1.88 135.00 136.43 2pfu s PRO 80 Ca 0.33 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.44 2pfu s PRO 80 Cb 0.10 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.49 2pfu s PRO 80 CO -0.15 -0.09 0.40 1.33 0.04 0.00 0.00 177.00 178.53 2pfu n VAL 81 N 1.42 0.00 -4.41 -0.36 0.24 -1.00 -4.90 118.33 109.33 2pfu n VAL 81 Ca 0.01 -2.02 -0.21 0.00 -2.04 0.00 0.00 64.34 60.08 2pfu n VAL 81 Cb 0.43 1.13 -0.09 0.00 -1.47 0.00 0.00 33.84 33.84 2pfu n VAL 81 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2pfu s THR 82 N -3.02 0.63 -1.14 3.34 -4.23 -1.26 -3.47 115.64 106.49 2pfu s THR 82 Ca 0.33 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.03 2pfu s THR 82 Cb 0.00 -2.55 0.21 0.00 1.34 0.00 0.00 72.50 71.50 2pfu s THR 82 CO 0.24 0.00 1.58 -0.90 -0.54 0.00 0.00 174.62 175.00 2pfu n ASP 83 N -0.90 0.00 -0.06 3.99 5.68 -1.26 -0.10 116.55 123.89 2pfu n ASP 83 Ca -0.02 0.34 -0.12 0.00 -0.50 0.00 0.00 54.79 54.49 2pfu n ASP 83 Cb 0.65 -0.43 -0.14 0.00 -1.14 0.00 0.00 41.12 40.06 2pfu n ASP 83 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2pfu n GLU 84 N -1.43 0.67 -0.25 0.11 2.13 -1.26 -4.32 120.64 116.29 2pfu n GLU 84 Ca 0.06 0.16 0.06 0.00 0.66 0.00 0.00 57.16 58.10 2pfu n GLU 84 Cb 0.19 -1.64 0.18 0.00 0.27 0.00 0.00 31.44 30.44 2pfu n GLU 84 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2pfu n THR 85 N -3.03 1.51 0.02 6.31 5.66 -1.10 -4.60 114.28 119.04 2pfu n THR 85 Ca -0.29 -1.39 0.02 0.00 -3.05 0.00 0.00 64.05 59.34 2pfu n THR 85 Cb 1.08 0.19 0.38 0.00 -1.55 0.00 0.00 70.33 70.43 2pfu n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pfu h MET 86 N 1.64 0.50 0.03 1.09 -0.00 -0.70 -1.58 114.93 115.91 2pfu h MET 86 Ca 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2pfu h MET 86 Cb 0.98 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 32.49 2pfu h MET 86 CO 0.08 0.42 -0.02 0.82 -0.00 0.00 0.00 176.91 178.22 2pfu h ILE 87 N 0.50 1.40 -0.31 -0.10 1.08 -1.84 -2.31 117.51 115.92 2pfu h ILE 87 Ca 0.12 -1.57 0.06 0.00 -0.39 0.00 0.00 64.86 63.08 2pfu h ILE 87 Cb 0.12 2.42 -0.06 0.00 -3.07 0.00 0.00 36.82 36.23 2pfu h ILE 87 CO -0.01 0.39 -0.07 0.71 -0.69 0.00 0.00 178.15 178.48 2pfu h THR 88 N -0.76 0.70 0.46 -0.27 1.35 -1.83 0.12 112.91 112.68 2pfu h THR 88 Ca -0.00 -0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.83 2pfu h THR 88 Cb 0.67 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 2pfu h THR 88 CO 0.01 0.00 -0.22 0.00 -0.25 0.00 0.00 175.52 175.06 2pfu h ALA 89 N 1.31 -0.62 -0.33 6.62 0.00 -1.39 -1.91 119.26 122.94 2pfu h ALA 89 Ca 0.15 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2pfu h ALA 89 Cb 0.23 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2pfu h ALA 89 CO -0.31 -0.82 -0.15 -0.07 0.00 0.00 0.00 179.25 177.89 2pfu h LEU 90 N -0.67 -0.52 -2.00 0.00 3.38 -1.14 0.11 115.31 114.47 2pfu h LEU 90 Ca -0.06 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.12 2pfu h LEU 90 Cb 0.50 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2pfu h LEU 90 CO 0.10 -0.19 0.22 0.78 0.09 0.00 0.00 178.44 179.44 2pfu h ASN 91 N -0.10 0.00 0.48 -0.43 -0.26 -0.69 0.25 115.58 114.83 2pfu h ASN 91 Ca 0.17 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.88 2pfu h ASN 91 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 2pfu h ASN 91 CO -0.39 0.00 -0.23 0.00 -1.06 0.00 0.00 177.43 175.75 2pfu h ALA 92 N 1.85 -0.77 0.27 -0.83 0.00 0.03 0.26 119.26 120.07 2pfu h ALA 92 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pfu h ALA 92 Cb 0.58 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2pfu h ALA 92 CO -0.00 -0.72 -0.13 -0.07 0.00 0.00 0.00 179.25 178.33 2pfu h LEU 93 N -0.97 -0.31 -2.17 0.00 3.38 -1.11 -2.50 115.31 111.63 2pfu h LEU 93 Ca -0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2pfu h LEU 93 Cb 0.49 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2pfu h LEU 93 CO 0.11 -0.12 0.00 0.71 0.09 0.00 0.00 178.44 179.23 2pfu h THR 94 N -0.49 0.00 -1.81 0.22 1.35 -0.65 -3.46 112.91 108.07 2pfu h THR 94 Ca -0.04 -0.27 -0.35 0.00 -0.55 0.00 0.00 66.41 65.20 2pfu h THR 94 Cb 0.37 1.27 -0.07 0.00 -1.73 0.00 0.00 68.15 67.99 2pfu h THR 94 CO 0.06 0.00 -0.39 1.21 -0.25 0.00 0.00 175.52 176.15 2pfu n GLU 95 N -3.08 -1.31 -0.58 4.72 2.13 0.83 -2.41 120.64 120.95 2pfu n GLU 95 Ca -0.01 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2pfu n GLU 95 Cb 0.20 -5.32 0.00 0.00 0.27 0.00 0.00 31.44 26.59 2pfu n GLU 95 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pfu n GLY 96 N -0.95 1.40 3.11 8.31 0.00 -0.75 -4.99 105.19 111.32 2pfu n GLY 96 Ca -0.19 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 2pfu n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pfu s LYS 97 N -1.76 2.08 -0.11 1.61 1.02 -1.01 -4.92 119.74 116.65 2pfu s LYS 97 Ca 0.00 -1.57 0.20 0.00 0.02 0.00 0.00 55.97 54.61 2pfu s LYS 97 Cb 0.00 -3.27 -0.28 0.00 -0.52 0.00 0.00 37.83 33.76 2pfu s LYS 97 CO 0.00 -0.82 0.30 0.36 -0.92 0.00 0.00 175.35 174.28 2pfu n LYS 98 N 4.51 0.67 -0.24 1.68 2.85 -1.26 -4.32 118.16 122.06 2pfu n LYS 98 Ca -0.06 -0.07 0.20 0.00 -1.05 0.00 0.00 58.31 57.33 2pfu n LYS 98 Cb 0.42 -1.55 0.53 0.00 -0.65 0.00 0.00 35.03 33.79 2pfu n LYS 98 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2pfu h ASP 99 N 0.00 0.38 -1.95 -5.58 2.03 -1.91 -3.41 116.42 105.98 2pfu h ASP 99 Ca -0.29 0.04 -0.64 0.00 -0.73 0.00 0.00 57.03 55.41 2pfu h ASP 99 Cb 1.68 -0.03 0.05 0.00 -0.83 0.00 0.00 39.33 40.20 2pfu h ASP 99 CO 0.02 0.15 0.69 0.41 -1.03 0.00 0.00 179.24 179.47 2pfu n THR 100 N -4.50 0.07 -1.61 1.15 -1.04 -1.26 -4.59 114.28 102.51 2pfu n THR 100 Ca 0.19 -0.01 -0.45 0.00 -2.04 0.00 0.00 64.05 61.73 2pfu n THR 100 Cb 0.72 -1.24 -0.04 0.00 -1.82 0.00 0.00 70.33 67.95 2pfu n THR 100 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2pfu n THR 101 N 3.28 0.46 -3.98 12.58 -1.04 -1.25 -4.81 114.28 119.52 2pfu n THR 101 Ca 0.19 -0.28 -0.34 0.00 -2.04 0.00 0.00 64.05 61.58 2pfu n THR 101 Cb 0.23 -2.20 -0.14 0.00 -1.82 0.00 0.00 70.33 66.40 2pfu n THR 101 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2pfu s ILE 102 N 6.39 2.76 -0.14 12.58 1.01 -1.00 -3.71 121.20 139.08 2pfu s ILE 102 Ca 0.98 -1.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.27 2pfu s ILE 102 Cb -0.53 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 2pfu s ILE 102 CO 0.43 0.19 0.93 -0.36 0.00 0.00 0.00 174.94 176.13 2pfu s PHE 103 N 1.30 3.46 -0.56 3.97 0.40 -0.94 -0.10 117.98 125.52 2pfu s PHE 103 Ca -0.00 1.43 -0.20 0.00 -0.60 0.00 0.00 56.93 57.56 2pfu s PHE 103 Cb -0.17 -3.11 0.07 0.00 0.51 0.00 0.00 43.02 40.32 2pfu s PHE 103 CO -0.05 -0.25 0.72 0.12 0.70 0.00 0.00 175.22 176.47 2pfu s PHE 104 N 2.16 2.96 -0.31 0.36 5.36 -0.56 -1.77 117.98 126.18 2pfu s PHE 104 Ca 0.43 -0.64 -0.05 0.00 -0.96 0.00 0.00 56.93 55.71 2pfu s PHE 104 Cb -0.17 -3.85 0.03 0.00 -0.34 0.00 0.00 43.02 38.69 2pfu s PHE 104 CO 0.14 -1.23 0.06 0.50 -1.46 0.00 0.00 175.22 173.23 2pfu s ARG 105 N 2.95 2.74 0.29 10.12 3.52 -0.82 -4.10 118.95 133.66 2pfu s ARG 105 Ca 0.16 -1.08 0.05 0.00 -0.13 0.00 0.00 55.73 54.73 2pfu s ARG 105 Cb -0.20 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 29.80 2pfu s ARG 105 CO 0.10 -0.57 -0.01 0.00 -0.81 0.00 0.00 175.30 174.02 2pfu s ALA 106 N 1.39 2.32 0.87 6.12 0.00 -1.26 -0.92 121.76 130.28 2pfu s ALA 106 Ca -0.01 -1.96 -0.12 0.00 0.00 0.00 0.00 51.96 49.88 2pfu s ALA 106 Cb -0.19 0.39 0.12 0.00 0.00 0.00 0.00 23.12 23.44 2pfu s ALA 106 CO 0.01 -0.18 1.16 -3.47 0.00 0.00 0.00 175.76 173.28 2pfu n ASP 107 N -0.62 0.60 0.00 0.00 2.03 -0.43 -4.89 116.55 113.25 2pfu n ASP 107 Ca -0.04 0.49 0.14 0.00 0.52 0.00 0.00 54.79 55.90 2pfu n ASP 107 Cb 0.65 -1.49 0.78 0.00 -0.72 0.00 0.00 41.12 40.34 2pfu n ASP 107 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2pfu n LYS 108 N -3.77 0.62 -0.99 -0.67 5.02 -1.26 -3.41 118.16 113.71 2pfu n LYS 108 Ca 0.13 0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.23 2pfu n LYS 108 Cb 0.51 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.15 2pfu n LYS 108 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2pfu n THR 109 N -1.17 2.81 -3.53 -0.18 -2.24 -1.26 -4.94 114.28 103.77 2pfu n THR 109 Ca 0.17 -1.66 -0.35 0.00 -2.27 0.00 0.00 64.05 59.94 2pfu n THR 109 Cb 0.17 -0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 67.63 2pfu n THR 109 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pfu s VAL 110 N -2.78 5.05 0.42 2.28 1.01 -1.22 -5.04 120.40 120.12 2pfu s VAL 110 Ca 0.45 0.58 0.08 0.00 0.00 0.00 0.00 61.98 63.09 2pfu s VAL 110 Cb 0.37 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 2pfu s VAL 110 CO 0.07 0.35 0.47 -1.81 0.00 0.00 0.00 175.10 174.18 2pfu s ASP 111 N -1.60 5.33 0.36 3.32 1.01 -1.26 -5.01 116.67 118.82 2pfu s ASP 111 Ca 0.31 -0.60 0.08 0.00 0.71 0.00 0.00 52.55 53.05 2pfu s ASP 111 Cb -0.15 -0.59 0.68 0.00 1.01 0.00 0.00 42.92 43.87 2pfu s ASP 111 CO 0.17 -0.72 1.85 0.22 0.21 0.00 0.00 175.17 176.90 2pfu h TYR 112 N 0.83 0.29 0.00 4.23 3.20 -1.99 -2.22 116.97 121.31 2pfu h TYR 112 Ca -0.40 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.35 2pfu h TYR 112 Cb 1.27 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 2pfu h TYR 112 CO 0.46 0.45 -0.35 0.93 -1.64 0.00 0.00 178.16 178.02 2pfu h GLU 113 N 0.25 0.00 0.06 1.82 5.08 -1.99 -2.08 114.58 117.72 2pfu h GLU 113 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2pfu h GLU 113 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2pfu h GLU 113 CO 0.03 0.35 -0.03 1.15 -1.00 0.00 0.00 179.01 179.51 2pfu h THR 114 N 0.00 1.25 0.00 1.13 2.02 -1.80 -2.47 112.91 113.04 2pfu h THR 114 Ca -0.00 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 2pfu h THR 114 Cb 0.71 2.17 -0.00 0.00 -1.74 0.00 0.00 68.15 69.29 2pfu h THR 114 CO 0.05 0.35 -0.08 0.17 0.37 0.00 0.00 175.52 176.37 2pfu h LEU 115 N -0.80 0.00 -0.04 2.58 8.10 -1.48 -2.29 115.31 121.38 2pfu h LEU 115 Ca -0.01 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.76 2pfu h LEU 115 Cb 0.63 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.87 2pfu h LEU 115 CO 0.01 0.08 -0.85 -0.03 -4.11 0.00 0.00 178.44 173.55 2pfu h MET 116 N 0.00 0.65 -0.46 0.17 4.05 -1.40 -2.05 114.93 115.89 2pfu h MET 116 Ca -0.00 -0.64 -0.01 0.00 -0.28 0.00 0.00 59.70 58.76 2pfu h MET 116 Cb 0.20 0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 2pfu h MET 116 CO 0.01 1.24 0.23 0.87 0.23 0.00 0.00 176.91 179.49 2pfu h LYS 117 N 0.29 0.65 -0.04 0.39 1.57 -0.93 -2.52 116.57 115.99 2pfu h LYS 117 Ca -0.09 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.48 2pfu h LYS 117 Cb 1.51 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 2pfu h LYS 117 CO 0.17 0.54 -0.52 -0.39 -0.57 0.00 0.00 179.45 178.69 2pfu h VAL 118 N 0.59 1.36 -0.66 0.50 -1.51 -1.53 -2.66 116.25 112.35 2pfu h VAL 118 Ca 0.16 -1.78 -0.01 0.00 -1.23 0.00 0.00 66.70 63.84 2pfu h VAL 118 Cb 0.10 1.91 -0.03 0.00 -2.13 0.00 0.00 31.29 31.14 2pfu h VAL 118 CO -0.02 0.52 0.39 -0.03 -1.23 0.00 0.00 177.57 177.19 2pfu h MET 119 N 0.08 0.91 -0.27 5.19 1.85 -0.98 -0.72 114.93 121.00 2pfu h MET 119 Ca -0.00 -0.09 -0.16 0.00 -0.61 0.00 0.00 59.70 58.84 2pfu h MET 119 Cb 0.94 -0.19 -0.00 0.00 0.43 0.00 0.00 31.60 32.78 2pfu h MET 119 CO 0.07 0.67 -0.45 0.22 -0.40 0.00 0.00 176.91 177.02 2pfu h ASP 120 N 0.90 0.86 0.39 1.39 1.82 -1.38 -1.27 116.42 119.14 2pfu h ASP 120 Ca 0.24 -0.53 -0.02 0.00 -0.39 0.00 0.00 57.03 56.33 2pfu h ASP 120 Cb 0.00 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.77 2pfu h ASP 120 CO -0.04 1.22 -0.20 0.74 -1.61 0.00 0.00 179.24 179.35 2pfu h THR 121 N 0.52 0.58 0.00 2.25 2.02 -1.23 -2.40 112.91 114.66 2pfu h THR 121 Ca 0.02 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 2pfu h THR 121 Cb 1.05 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2pfu h THR 121 CO 0.10 0.00 -0.27 0.17 0.37 0.00 0.00 175.52 175.90 2pfu h LEU 122 N -0.55 0.00 -0.11 2.58 8.10 -1.20 -2.85 115.31 121.27 2pfu h LEU 122 Ca -0.05 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.95 2pfu h LEU 122 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 2pfu h LEU 122 CO 0.07 0.27 0.06 0.45 -4.11 0.00 0.00 178.44 175.18 2pfu h HIS 123 N 0.00 0.11 0.00 0.17 3.86 -0.80 -1.74 115.15 116.75 2pfu h HIS 123 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 2pfu h HIS 123 Cb 0.54 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 2pfu h HIS 123 CO 0.00 0.06 -0.23 1.96 0.86 0.00 0.00 177.93 180.59 2pfu h GLN 124 N 0.13 0.00 -0.64 2.45 1.08 -1.29 -2.32 115.11 114.51 2pfu h GLN 124 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2pfu h GLN 124 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2pfu h GLN 124 CO -0.03 0.23 0.00 0.00 -0.95 0.00 0.00 178.83 178.08 2pfu n ALA 125 N -2.26 3.01 0.00 3.87 0.00 -0.80 -5.01 120.51 119.31 2pfu n ALA 125 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2pfu n ALA 125 Cb 0.38 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2pfu n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pfu n GLY 126 N 0.71 1.49 2.98 0.00 0.00 -0.72 -4.97 105.19 104.69 2pfu n GLY 126 Ca 0.17 -0.54 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 2pfu n GLY 126 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pfu n TYR 127 N 1.57 -2.30 0.09 1.61 4.01 -1.26 -4.26 117.16 116.63 2pfu n TYR 127 Ca 0.00 1.00 0.04 0.00 -0.16 0.00 0.00 57.90 58.78 2pfu n TYR 127 Cb 0.00 -2.67 0.07 0.00 -0.31 0.00 0.00 39.34 36.43 2pfu n TYR 127 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2pfu n LEU 128 N 0.77 2.13 -3.26 7.72 7.99 -1.26 -4.77 117.00 126.32 2pfu n LEU 128 Ca 0.00 -1.51 -0.24 0.00 -0.01 0.00 0.00 56.01 54.25 2pfu n LEU 128 Cb 0.29 -0.08 -0.08 0.00 -0.11 0.00 0.00 43.42 43.45 2pfu n LEU 128 CO 0.29 0.49 -0.28 0.29 -1.51 0.00 0.00 177.39 176.66 2pfu n LYS 129 N 0.30 0.46 -3.90 3.23 4.01 -1.26 -5.09 118.16 115.91 2pfu n LYS 129 Ca 0.06 -3.13 -0.35 0.00 -0.51 0.00 0.00 58.31 54.38 2pfu n LYS 129 Cb 0.28 -1.43 -0.14 0.00 -0.51 0.00 0.00 35.03 33.23 2pfu n LYS 129 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2pfu s ILE 130 N -0.51 3.32 0.57 -0.18 1.09 -1.26 -2.38 121.20 121.85 2pfu s ILE 130 Ca 0.34 -0.62 -0.18 0.00 -1.10 0.00 0.00 60.65 59.09 2pfu s ILE 130 Cb 0.11 -2.56 -0.05 0.00 -1.06 0.00 0.00 42.46 38.90 2pfu s ILE 130 CO -0.15 0.35 1.09 -0.83 -0.10 0.00 0.00 174.94 175.29 2pfu s GLY 131 N 1.45 2.38 -0.58 6.18 0.00 0.86 -4.88 107.32 112.73 2pfu s GLY 131 Ca 0.04 0.61 -0.03 0.00 0.00 0.00 0.00 44.72 45.34 2pfu s GLY 131 CO -0.03 0.95 0.40 1.08 0.00 0.00 0.00 173.10 175.49 2pfu s LEU 132 N -4.14 5.31 0.48 0.66 1.43 -1.26 -1.49 118.68 119.68 2pfu s LEU 132 Ca 0.68 -2.63 -0.24 0.00 -1.03 0.00 0.00 54.13 50.91 2pfu s LEU 132 Cb -0.20 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.08 2pfu s LEU 132 CO 0.31 -0.43 1.36 0.55 0.23 0.00 0.00 176.35 178.37 2pfu n VAL 133 N 3.80 3.14 -0.72 -1.59 3.14 -1.26 -4.62 118.33 120.23 2pfu n VAL 133 Ca 0.05 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 2pfu n VAL 133 Cb 0.39 -1.70 0.00 0.00 -1.06 0.00 0.00 33.84 31.47 2pfu n VAL 133 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2pfu n GLY 134 N 0.71 -1.37 0.00 7.55 0.00 -1.26 -4.96 105.19 105.85 2pfu n GLY 134 Ca 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2pfu n GLY 134 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pfu n GLU 135 N 0.29 0.00 -3.55 1.61 2.13 -1.26 -4.89 120.64 114.96 2pfu n GLU 135 Ca 0.00 0.38 -0.19 0.00 0.66 0.00 0.00 57.16 58.01 2pfu n GLU 135 Cb 0.00 -1.19 0.07 0.00 0.27 0.00 0.00 31.44 30.58 2pfu n GLU 135 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2pfu n GLU 136 N -1.35 -6.04 -1.23 5.31 2.13 -1.26 -4.89 120.64 113.31 2pfu n GLU 136 Ca 0.00 0.76 -0.30 0.00 0.66 0.00 0.00 57.16 58.28 2pfu n GLU 136 Cb 0.00 -5.61 0.06 0.00 0.27 0.00 0.00 31.44 26.17 2pfu n GLU 136 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2pfu n THR 137 N -4.24 3.39 -3.70 6.31 5.66 -1.26 -4.86 114.28 115.58 2pfu n THR 137 Ca -0.27 -2.63 -0.11 0.00 -3.05 0.00 0.00 64.05 57.99 2pfu n THR 137 Cb 0.66 -1.22 -0.12 0.00 -1.55 0.00 0.00 70.33 68.10 2pfu n THR 137 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pfu s ALA 138 N -3.23 -0.83 -0.14 1.79 0.00 -1.26 -5.15 121.76 112.94 2pfu s ALA 138 Ca 0.55 1.27 -0.10 0.00 0.00 0.00 0.00 51.96 53.68 2pfu s ALA 138 Cb 0.43 -0.87 0.04 0.00 0.00 0.00 0.00 23.12 22.72 2pfu s ALA 138 CO -0.03 -0.33 0.35 -1.59 0.00 0.00 0.00 175.76 174.16 2pfu s LYS 139 N 1.58 0.36 0.00 0.00 0.00 -1.26 -5.02 119.74 115.40 2pfu s LYS 139 Ca -0.07 0.60 0.22 0.00 0.00 0.00 0.00 55.97 56.71 2pfu s LYS 139 Cb -0.10 0.06 0.20 0.00 0.00 0.00 0.00 37.83 37.99 2pfu s LYS 139 CO -0.11 -0.11 1.22 0.00 0.00 0.00 0.00 175.35 176.35 2pfu n ALA 140 N 3.63 2.46 0.97 0.59 0.00 -1.26 -5.32 120.51 121.58 2pfu n ALA 140 Ca -0.19 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.66 2pfu n ALA 140 Cb 0.56 -0.75 0.10 0.00 0.00 0.00 0.00 19.45 19.35 2pfu n ALA 140 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13