#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1piv s ALA 3 N 0.00 3.66 -0.23 4.61 0.00 -1.26 -4.84 121.76 123.69 1piv s ALA 3 Ca 0.00 1.55 -0.08 0.00 0.00 0.00 0.00 51.96 53.43 1piv s ALA 3 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1piv s ALA 3 CO 0.00 -1.00 0.09 -1.14 0.00 0.00 0.00 175.76 173.71 1piv s GLN 4 N -1.25 3.81 -0.14 0.00 2.00 0.13 -4.97 119.66 119.23 1piv s GLN 4 Ca 0.58 -0.41 0.02 0.00 -2.00 0.00 0.00 55.36 53.55 1piv s GLN 4 Cb -0.47 -3.34 0.01 0.00 0.80 0.00 0.00 33.01 30.01 1piv s GLN 4 CO 0.55 -0.04 -0.20 0.08 -0.50 0.00 0.00 175.29 175.18 1piv s VAL 5 N 1.24 1.92 0.10 1.34 1.01 -1.26 -0.85 120.40 123.89 1piv s VAL 5 Ca 0.05 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1piv s VAL 5 Cb -0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1piv s VAL 5 CO 0.04 0.52 -0.09 -0.44 0.00 0.00 0.00 175.10 175.13 1piv s SER 6 N 1.01 1.34 0.24 3.32 0.01 -0.92 -4.99 113.70 113.72 1piv s SER 6 Ca -0.03 -0.85 -0.30 0.00 1.31 0.00 0.00 55.95 56.08 1piv s SER 6 Cb -0.15 0.03 -0.09 0.00 0.21 0.00 0.00 66.02 66.03 1piv s SER 6 CO -0.05 -0.31 1.02 -0.44 0.41 0.00 0.00 173.24 173.87 1piv s SER 7 N -2.57 7.45 0.20 2.44 0.01 -1.26 -1.22 113.70 118.74 1piv s SER 7 Ca 0.06 2.08 -0.21 0.00 1.31 0.00 0.00 55.95 59.20 1piv s SER 7 Cb -0.01 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.53 1piv s SER 7 CO -0.01 -0.02 0.72 -1.10 0.41 0.00 0.00 173.24 173.24 1piv s GLN 8 N -1.09 4.30 -1.00 12.44 -0.21 0.30 -4.90 119.66 129.50 1piv s GLN 8 Ca 0.44 0.90 -0.23 0.00 0.02 0.00 0.00 55.36 56.49 1piv s GLN 8 Cb -0.28 -2.98 0.04 0.00 1.00 0.00 0.00 33.01 30.78 1piv s GLN 8 CO 0.36 0.45 1.47 0.21 -2.12 0.00 0.00 175.29 175.66 1piv s LYS 9 N -1.74 3.51 -0.21 2.91 2.20 -1.26 -4.68 119.74 120.47 1piv s LYS 9 Ca 0.40 -1.04 -0.29 0.00 -0.36 0.00 0.00 55.97 54.69 1piv s LYS 9 Cb -0.18 -5.30 -0.04 0.00 -1.51 0.00 0.00 37.83 30.80 1piv s LYS 9 CO 0.22 -2.28 1.79 0.08 -0.36 0.00 0.00 175.35 174.80 1piv s VAL 10 N 5.31 3.46 0.00 4.02 1.01 -1.26 -4.97 120.40 127.97 1piv s VAL 10 Ca 0.47 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1piv s VAL 10 Cb -0.01 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1piv s VAL 10 CO -0.09 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1piv n GLY 11 N 4.95 0.44 3.65 4.51 0.00 -1.26 -4.83 105.19 112.66 1piv n GLY 11 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1piv n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piv s ALA 12 N -3.26 3.55 -0.17 4.61 0.00 -1.26 -5.01 121.76 120.22 1piv s ALA 12 Ca 0.00 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 1piv s ALA 12 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 1piv s ALA 12 CO 0.00 -1.46 0.30 -1.01 0.00 0.00 0.00 175.76 173.59 1piv s HIS 13 N 4.12 3.45 0.65 0.00 3.76 -1.26 -5.09 115.29 120.91 1piv s HIS 13 Ca 0.66 0.58 -0.16 0.00 -0.15 0.00 0.00 55.06 55.99 1piv s HIS 13 Cb -0.27 -2.36 -0.01 0.00 1.11 0.00 0.00 32.58 31.06 1piv s HIS 13 CO 0.24 0.21 1.13 -2.00 -0.85 0.00 0.00 174.74 173.46 1piv s GLU 14 N 0.58 2.81 -1.20 1.40 2.12 -1.26 -4.91 118.70 118.23 1piv s GLU 14 Ca 0.16 1.48 -0.11 0.00 0.36 0.00 0.00 54.97 56.87 1piv s GLU 14 Cb -0.13 -1.94 -0.07 0.00 0.26 0.00 0.00 34.13 32.25 1piv s GLU 14 CO 0.04 -1.26 2.38 0.09 -0.54 0.00 0.00 175.26 175.97 1piv n ASN 15 N -2.25 5.67 -0.04 -1.70 5.03 -1.26 -5.10 115.26 115.61 1piv n ASN 15 Ca 0.11 -2.53 -0.04 0.00 0.87 0.00 0.00 54.58 52.99 1piv n ASN 15 Cb 0.52 -1.33 -0.01 0.00 -1.02 0.00 0.00 39.78 37.93 1piv n ASN 15 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1piv n SER 16 N 4.75 0.86 0.00 6.41 7.64 -1.26 -5.38 113.62 126.64 1piv n SER 16 Ca 0.57 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1piv n SER 16 Cb 0.24 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1piv n SER 16 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1piv n SER 23 N -3.37 0.00 -4.65 6.43 2.88 -1.26 -5.26 113.62 108.38 1piv n SER 23 Ca -0.06 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.06 1piv n SER 23 Cb 0.23 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.65 1piv n SER 23 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1piv s THR 24 N -2.36 4.88 -0.10 2.46 -1.32 -1.26 -5.02 115.64 112.93 1piv s THR 24 Ca 0.00 1.54 -0.01 0.00 -1.21 0.00 0.00 61.69 62.01 1piv s THR 24 Cb 0.00 -4.10 -0.03 0.00 -1.51 0.00 0.00 72.50 66.86 1piv s THR 24 CO 0.00 -0.01 -0.05 -0.63 -2.21 0.00 0.00 174.62 171.72 1piv s ILE 25 N 2.46 3.84 0.41 5.08 1.01 -1.26 -5.05 121.20 127.68 1piv s ILE 25 Ca 0.35 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.66 1piv s ILE 25 Cb -0.16 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 1piv s ILE 25 CO 0.10 0.57 0.17 0.20 0.00 0.00 0.00 174.94 175.98 1piv s ASN 26 N -0.44 4.42 0.07 3.58 0.01 -1.26 -0.54 114.94 120.78 1piv s ASN 26 Ca 0.07 -1.07 0.01 0.00 -0.71 0.00 0.00 52.86 51.15 1piv s ASN 26 Cb -0.12 -0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.01 1piv s ASN 26 CO 0.02 -0.53 -0.05 -0.72 -1.51 0.00 0.00 177.10 174.31 1piv s TYR 27 N -2.60 0.69 -0.02 2.20 1.13 -0.36 -4.84 117.35 113.56 1piv s TYR 27 Ca 0.41 -0.93 0.07 0.00 -1.41 0.00 0.00 57.07 55.21 1piv s TYR 27 Cb 0.04 -0.44 -0.02 0.00 -1.10 0.00 0.00 41.96 40.44 1piv s TYR 27 CO 0.22 -0.24 -0.24 0.99 -2.51 0.00 0.00 175.55 173.78 1piv s THR 28 N -3.50 2.26 -0.04 -3.49 2.01 -1.26 -2.16 115.64 109.46 1piv s THR 28 Ca 0.07 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 61.05 1piv s THR 28 Cb 0.05 -1.81 0.01 0.00 0.01 0.00 0.00 72.50 70.75 1piv s THR 28 CO -0.06 0.57 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.44 1piv s THR 29 N -0.64 0.98 -0.13 -0.82 2.01 -0.03 -4.98 115.64 112.02 1piv s THR 29 Ca 0.10 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 1piv s THR 29 Cb -0.10 -0.88 0.04 0.00 0.01 0.00 0.00 72.50 71.57 1piv s THR 29 CO -0.01 0.30 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.57 1piv s ILE 30 N 0.30 0.76 0.03 1.82 1.01 -1.26 -0.69 121.20 123.17 1piv s ILE 30 Ca -0.06 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 1piv s ILE 30 Cb -0.11 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 1piv s ILE 30 CO 0.01 0.15 1.27 0.20 0.00 0.00 0.00 174.94 176.58 1piv s ASN 31 N 1.79 6.98 0.06 3.58 0.01 -1.26 -4.93 114.94 121.18 1piv s ASN 31 Ca 0.03 2.04 0.22 0.00 -0.71 0.00 0.00 52.86 54.44 1piv s ASN 31 Cb -0.14 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 38.82 1piv s ASN 31 CO -0.07 -0.58 0.81 -1.22 -1.51 0.00 0.00 177.10 174.53 1piv n TYR 32 N 4.57 0.34 -4.29 2.20 4.01 -1.26 -4.98 117.16 117.75 1piv n TYR 32 Ca 0.11 0.10 -0.30 0.00 -0.16 0.00 0.00 57.90 57.65 1piv n TYR 32 Cb 0.45 -0.58 -0.11 0.00 -0.31 0.00 0.00 39.34 38.79 1piv n TYR 32 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1piv s TYR 33 N -3.36 2.66 0.14 -0.72 1.51 -1.26 -5.04 117.35 111.27 1piv s TYR 33 Ca -0.02 -0.20 -0.15 0.00 -1.01 0.00 0.00 57.07 55.69 1piv s TYR 33 Cb 0.13 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.58 1piv s TYR 33 CO 0.84 0.40 1.68 -0.22 -1.11 0.00 0.00 175.55 177.14 1piv h LYS 34 N 3.74 0.64 -6.23 -0.62 3.64 -2.01 -3.43 116.57 112.30 1piv h LYS 34 Ca -0.49 -0.12 -0.56 0.00 -1.27 0.00 0.00 60.65 58.21 1piv h LYS 34 Cb 1.17 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1piv h LYS 34 CO 0.50 0.60 1.01 -0.51 -2.27 0.00 0.00 179.45 178.77 1piv s ASP 35 N -5.90 6.73 0.61 4.20 1.01 -1.26 -4.90 116.67 117.16 1piv s ASP 35 Ca -0.13 1.77 0.32 0.00 0.71 0.00 0.00 52.55 55.22 1piv s ASP 35 Cb 0.10 -2.54 1.80 0.00 1.01 0.00 0.00 42.92 43.30 1piv s ASP 35 CO 0.76 -0.94 2.13 0.77 0.21 0.00 0.00 175.17 178.10 1piv h SER 36 N 9.18 0.00 -0.89 0.27 4.64 -2.00 -1.13 113.55 123.62 1piv h SER 36 Ca -0.31 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.13 1piv h SER 36 Cb 1.13 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.15 1piv h SER 36 CO 0.98 0.00 0.58 0.00 -0.87 0.00 0.00 176.83 177.51 1piv h ALA 37 N 1.76 1.74 0.00 5.18 0.00 -1.97 -1.82 119.26 124.16 1piv h ALA 37 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1piv h ALA 37 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1piv h ALA 37 CO -0.00 0.03 0.00 0.77 0.00 0.00 0.00 179.25 180.05 1piv h SER 38 N 0.77 0.00 -3.96 0.00 0.02 -1.58 -3.45 113.55 105.35 1piv h SER 38 Ca 0.44 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.89 1piv h SER 38 Cb 0.60 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.18 1piv h SER 38 CO -0.20 0.00 0.47 0.20 -1.14 0.00 0.00 176.83 176.16 1piv s ASN 39 N -4.81 6.54 1.24 3.07 0.02 -0.69 -4.98 114.94 115.34 1piv s ASN 39 Ca -0.03 2.24 -0.19 0.00 -1.02 0.00 0.00 52.86 53.86 1piv s ASN 39 Cb 0.10 -2.60 0.30 0.00 0.02 0.00 0.00 41.25 39.07 1piv s ASN 39 CO 0.36 -0.65 1.05 0.00 0.02 0.00 0.00 177.10 177.88 1piv s ALA 40 N -1.51 0.18 -0.09 0.60 0.00 -1.26 -4.99 121.76 114.69 1piv s ALA 40 Ca 0.58 -0.79 -0.24 0.00 0.00 0.00 0.00 51.96 51.51 1piv s ALA 40 Cb -0.27 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1piv s ALA 40 CO 0.34 -3.82 0.76 0.00 0.00 0.00 0.00 175.76 173.04 1piv s ALA 41 N -2.76 3.36 0.50 0.00 0.00 -1.26 -4.96 121.76 116.63 1piv s ALA 41 Ca 0.70 0.14 0.28 0.00 0.00 0.00 0.00 51.96 53.08 1piv s ALA 41 Cb -0.13 -3.06 1.60 0.00 0.00 0.00 0.00 23.12 21.53 1piv s ALA 41 CO 0.57 -0.26 2.15 1.03 0.00 0.00 0.00 175.76 179.26 1piv h SER 42 N 6.92 0.00 -0.19 0.00 0.87 -2.04 -3.46 113.55 115.65 1piv h SER 42 Ca -0.38 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 1piv h SER 42 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1piv h SER 42 CO 0.77 0.07 -0.02 0.29 -0.53 0.00 0.00 176.83 177.41 1piv n LYS 43 N -3.76 -1.90 -3.14 2.24 5.02 -1.26 -4.86 118.16 110.50 1piv n LYS 43 Ca -0.02 0.27 -0.45 0.00 -2.02 0.00 0.00 58.31 56.09 1piv n LYS 43 Cb 0.17 -3.77 -0.00 0.00 -0.02 0.00 0.00 35.03 31.40 1piv n LYS 43 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1piv s GLN 44 N -1.14 4.08 -0.20 1.97 -0.21 -1.26 -5.00 119.66 117.91 1piv s GLN 44 Ca 0.00 -2.80 -0.06 0.00 0.02 0.00 0.00 55.36 52.52 1piv s GLN 44 Cb 0.00 -4.80 -0.03 0.00 1.00 0.00 0.00 33.01 29.18 1piv s GLN 44 CO 0.00 -1.51 0.01 -0.51 -2.12 0.00 0.00 175.29 171.16 1piv s ASP 45 N 2.18 5.00 0.63 5.90 1.01 -1.26 -5.08 116.67 125.06 1piv s ASP 45 Ca 0.35 -0.14 -0.14 0.00 0.71 0.00 0.00 52.55 53.33 1piv s ASP 45 Cb -0.06 -1.86 -0.02 0.00 1.01 0.00 0.00 42.92 41.99 1piv s ASP 45 CO -0.05 0.08 1.06 -0.72 0.21 0.00 0.00 175.17 175.76 1piv s TYR 46 N 0.89 3.02 0.40 4.23 -0.85 -1.26 -5.07 117.35 118.70 1piv s TYR 46 Ca 0.02 1.48 0.08 0.00 -0.52 0.00 0.00 57.07 58.12 1piv s TYR 46 Cb -0.14 -2.96 -0.03 0.00 0.38 0.00 0.00 41.96 39.20 1piv s TYR 46 CO 0.02 -1.17 0.30 -1.54 -1.52 0.00 0.00 175.55 171.64 1piv s SER 47 N -3.15 4.90 0.33 -0.18 1.04 -1.26 -5.15 113.70 110.23 1piv s SER 47 Ca 0.62 -0.79 0.07 0.00 0.48 0.00 0.00 55.95 56.33 1piv s SER 47 Cb -0.15 -0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.32 1piv s SER 47 CO 0.44 -0.55 0.28 0.00 0.98 0.00 0.00 173.24 174.38 1piv s GLN 48 N -4.03 1.75 0.15 4.02 -2.07 -1.26 -5.14 119.66 113.07 1piv s GLN 48 Ca 0.44 -2.01 -0.30 0.00 -1.82 0.00 0.00 55.36 51.67 1piv s GLN 48 Cb -0.02 0.33 -0.07 0.00 -1.09 0.00 0.00 33.01 32.16 1piv s GLN 48 CO 0.26 -0.65 1.16 0.34 -1.32 0.00 0.00 175.29 175.08 1piv s ASP 49 N -3.37 7.15 0.50 12.60 -1.08 -1.26 -4.94 116.67 126.27 1piv s ASP 49 Ca 0.41 2.12 0.33 0.00 -0.52 0.00 0.00 52.55 54.89 1piv s ASP 49 Cb 0.02 -2.60 1.61 0.00 -1.46 0.00 0.00 42.92 40.49 1piv s ASP 49 CO 0.27 -0.34 2.01 1.55 0.52 0.00 0.00 175.17 179.18 1piv h PRO 50 N 5.60 0.00 -0.76 4.34 0.13 -2.01 -3.39 132.00 135.91 1piv h PRO 50 Ca -0.44 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.00 1piv h PRO 50 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1piv h PRO 50 CO 0.75 0.00 0.36 0.43 -0.23 0.00 0.00 178.00 179.32 1piv n SER 51 N -2.80 0.22 0.30 1.44 7.64 -1.26 0.11 113.62 119.28 1piv n SER 51 Ca -0.01 1.27 0.18 0.00 1.01 0.00 0.00 58.87 61.32 1piv n SER 51 Cb 0.17 -0.60 0.96 0.00 -1.01 0.00 0.00 64.21 63.73 1piv n SER 51 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1piv h LYS 52 N 0.00 0.00 0.00 1.43 2.10 -1.86 0.90 116.57 119.14 1piv h LYS 52 Ca 0.62 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.90 1piv h LYS 52 Cb 1.62 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.89 1piv h LYS 52 CO -0.60 0.03 -2.36 1.19 -2.00 0.00 0.00 179.45 175.72 1piv n PHE 53 N -3.40 0.00 0.12 0.07 3.72 0.12 -4.33 117.46 113.76 1piv n PHE 53 Ca -0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1piv n PHE 53 Cb 0.15 -0.90 0.00 0.00 -0.94 0.00 0.00 39.48 37.79 1piv n PHE 53 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1piv h THR 54 N -0.29 1.15 -1.79 4.37 1.35 -1.17 -3.40 112.91 113.14 1piv h THR 54 Ca -0.56 -2.55 -0.46 0.00 -0.55 0.00 0.00 66.41 62.29 1piv h THR 54 Cb 1.73 2.52 -0.40 0.00 -1.73 0.00 0.00 68.15 70.27 1piv h THR 54 CO -0.18 0.64 -1.17 -0.62 -0.25 0.00 0.00 175.52 173.94 1piv n GLU 55 N -3.30 1.14 -0.14 4.72 1.02 0.30 -4.99 120.64 119.39 1piv n GLU 55 Ca 0.01 -3.43 0.00 0.00 -0.02 0.00 0.00 57.16 53.72 1piv n GLU 55 Cb 0.78 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1piv n GLU 55 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1piv n PRO 56 N 0.17 0.70 -3.19 3.49 -0.04 -1.20 -4.76 135.00 130.17 1piv n PRO 56 Ca 0.22 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.34 1piv n PRO 56 Cb 0.68 -1.15 -0.06 0.00 -0.04 0.00 0.00 33.50 32.93 1piv n PRO 56 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1piv s LEU 57 N 0.00 4.24 0.11 1.53 1.43 -1.26 -4.98 118.68 119.75 1piv s LEU 57 Ca 0.00 1.26 -0.14 0.00 -1.03 0.00 0.00 54.13 54.22 1piv s LEU 57 Cb 0.00 -3.69 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 1piv s LEU 57 CO 0.00 -0.04 1.45 0.50 0.23 0.00 0.00 176.35 178.49 1piv h LYS 58 N 2.99 0.76 -3.45 1.70 3.64 -2.05 -3.33 116.57 116.84 1piv h LYS 58 Ca -0.48 -0.38 -0.70 0.00 -1.27 0.00 0.00 60.65 57.82 1piv h LYS 58 Cb 1.18 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.66 1piv h LYS 58 CO 0.66 1.00 -0.24 -0.51 -2.27 0.00 0.00 179.45 178.09 1piv s ASP 59 N -6.57 5.59 -0.00 4.20 1.01 -1.26 -5.06 116.67 114.58 1piv s ASP 59 Ca -0.12 -3.25 -0.30 0.00 0.71 0.00 0.00 52.55 49.59 1piv s ASP 59 Cb 0.09 -1.88 -0.06 0.00 1.01 0.00 0.00 42.92 42.08 1piv s ASP 59 CO 0.84 -0.29 1.60 -0.69 0.21 0.00 0.00 175.17 176.83 1piv s VAL 60 N -0.64 3.44 0.03 -1.27 1.01 -1.25 -4.99 120.40 116.73 1piv s VAL 60 Ca 0.22 0.72 -0.00 0.00 0.00 0.00 0.00 61.98 62.92 1piv s VAL 60 Cb -0.14 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1piv s VAL 60 CO -0.08 -0.03 0.15 -0.76 0.00 0.00 0.00 175.10 174.38 1piv s LEU 61 N 3.23 4.16 0.07 3.92 1.43 -1.26 -5.08 118.68 125.15 1piv s LEU 61 Ca 0.71 0.21 -0.31 0.00 -1.03 0.00 0.00 54.13 53.72 1piv s LEU 61 Cb -0.35 -2.64 -0.08 0.00 0.03 0.00 0.00 46.19 43.15 1piv s LEU 61 CO 0.30 0.22 1.62 -0.51 0.23 0.00 0.00 176.35 178.20 1piv s ILE 62 N -1.37 3.06 0.60 -0.59 2.07 -1.26 -4.95 121.20 118.75 1piv s ILE 62 Ca 0.29 0.54 0.28 0.00 -1.41 0.00 0.00 60.65 60.35 1piv s ILE 62 Cb -0.13 -3.34 0.38 0.00 0.13 0.00 0.00 42.46 39.50 1piv s ILE 62 CO 0.22 0.00 1.69 0.07 -1.91 0.00 0.00 174.94 175.01 1piv h LYS 63 N 8.13 0.00 0.00 3.50 2.10 -2.00 -1.82 116.57 126.48 1piv h LYS 63 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1piv h LYS 63 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1piv h LYS 63 CO 0.93 0.00 -0.19 0.25 -2.00 0.00 0.00 179.45 178.43 1piv n THR 64 N -3.51 0.12 -3.72 0.07 -2.24 -1.26 -4.90 114.28 98.84 1piv n THR 64 Ca 0.13 -0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 1piv n THR 64 Cb 0.96 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 1piv n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1piv s ALA 65 N -3.03 4.07 0.16 6.98 0.00 -0.69 -5.07 121.76 124.19 1piv s ALA 65 Ca 0.12 -1.38 -0.32 0.00 0.00 0.00 0.00 51.96 50.38 1piv s ALA 65 Cb 0.17 -1.65 -0.10 0.00 0.00 0.00 0.00 23.12 21.54 1piv s ALA 65 CO 0.60 0.09 1.59 -1.25 0.00 0.00 0.00 175.76 176.80 1piv s PRO 66 N -4.07 4.20 0.21 0.00 0.04 -1.26 -4.90 135.00 129.23 1piv s PRO 66 Ca 0.40 2.39 -0.09 0.00 0.04 0.00 0.00 61.00 63.74 1piv s PRO 66 Cb -0.09 -3.18 0.25 0.00 0.04 0.00 0.00 34.50 31.53 1piv s PRO 66 CO 0.30 -0.63 1.82 0.00 0.04 0.00 0.00 177.00 178.52 1piv h ALA 67 N 6.91 0.94 -3.42 8.56 0.00 -1.94 -3.39 119.26 126.92 1piv h ALA 67 Ca -0.43 0.01 -0.66 0.00 0.00 0.00 0.00 54.91 53.84 1piv h ALA 67 Cb 1.20 -0.15 -0.20 0.00 0.00 0.00 0.00 17.79 18.65 1piv h ALA 67 CO 0.92 0.09 -0.67 -0.51 0.00 0.00 0.00 179.25 179.08 1piv s LEU 68 N -10.24 3.24 0.00 0.00 1.43 -1.26 -5.05 118.68 106.79 1piv s LEU 68 Ca -0.13 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1piv s LEU 68 Cb 0.16 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1piv s LEU 68 CO 0.76 0.26 0.00 -3.20 0.23 0.00 0.00 176.35 174.40