#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pne s LYS 2 N 0.00 0.92 0.93 0.00 2.20 -1.26 -0.70 119.74 121.82 2pne s LYS 2 Ca 0.00 0.31 -0.10 0.00 -0.36 0.00 0.00 55.97 55.82 2pne s LYS 2 Cb 0.00 0.43 0.15 0.00 -1.51 0.00 0.00 37.83 36.90 2pne s LYS 2 CO 0.00 -0.25 1.13 0.20 -0.36 0.00 0.00 175.35 176.07 2pne s GLY 3 N -0.88 1.67 0.32 5.54 0.00 0.17 -4.88 107.32 109.26 2pne s GLY 3 Ca -0.09 0.46 -0.29 0.00 0.00 0.00 0.00 44.72 44.80 2pne s GLY 3 CO 0.07 0.91 1.40 0.00 0.00 0.00 0.00 173.10 175.47 2pne s ALA 4 N -2.66 3.56 0.59 3.20 0.00 -1.26 -3.86 121.76 121.32 2pne s ALA 4 Ca 0.66 1.37 -0.18 0.00 0.00 0.00 0.00 51.96 53.82 2pne s ALA 4 Cb -0.22 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 2pne s ALA 4 CO 0.58 -0.79 1.14 -0.51 0.00 0.00 0.00 175.76 176.19 2pne s ASP 5 N -0.16 5.41 0.45 0.00 1.01 -1.26 -0.95 116.67 121.16 2pne s ASP 5 Ca 0.53 2.18 -0.21 0.00 0.71 0.00 0.00 52.55 55.76 2pne s ASP 5 Cb -0.42 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 40.83 2pne s ASP 5 CO 0.53 -1.44 1.00 -0.83 0.21 0.00 0.00 175.17 174.65 2pne s GLY 6 N -1.94 2.50 0.46 0.21 0.00 0.57 -4.81 107.32 104.31 2pne s GLY 6 Ca 0.72 0.54 -0.25 0.00 0.00 0.00 0.00 44.72 45.74 2pne s GLY 6 CO 0.32 0.86 1.38 0.00 0.00 0.00 0.00 173.10 175.66 2pne s ALA 7 N -2.01 3.16 0.66 3.20 0.00 -1.26 -3.24 121.76 122.28 2pne s ALA 7 Ca 0.64 1.37 -0.15 0.00 0.00 0.00 0.00 51.96 53.82 2pne s ALA 7 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2pne s ALA 7 CO 0.18 -1.12 1.12 -1.01 0.00 0.00 0.00 175.76 174.93 2pne s HIS 8 N -1.25 2.59 1.04 0.00 3.76 -1.26 -0.74 115.29 119.43 2pne s HIS 8 Ca 0.62 1.55 -0.14 0.00 -0.15 0.00 0.00 55.06 56.94 2pne s HIS 8 Cb -0.41 -3.19 0.21 0.00 1.11 0.00 0.00 32.58 30.30 2pne s HIS 8 CO 0.52 -1.74 1.10 0.20 -0.85 0.00 0.00 174.74 173.98 2pne s GLY 9 N -2.54 1.57 -0.04 -2.22 0.00 0.79 -4.77 107.32 100.11 2pne s GLY 9 Ca 0.67 -0.53 -0.13 0.00 0.00 0.00 0.00 44.72 44.73 2pne s GLY 9 CO 0.41 0.15 0.34 0.54 0.00 0.00 0.00 173.10 174.54 2pne s VAL 10 N -3.01 5.17 0.29 1.40 0.11 -1.26 -4.09 120.40 119.01 2pne s VAL 10 Ca 0.67 0.67 -0.29 0.00 -2.93 0.00 0.00 61.98 60.09 2pne s VAL 10 Cb -0.16 -3.63 -0.10 0.00 -1.53 0.00 0.00 36.38 30.96 2pne s VAL 10 CO 0.57 0.57 1.24 0.20 -3.33 0.00 0.00 175.10 174.35 2pne s ASN 11 N -0.90 6.95 0.00 3.54 0.01 -1.26 -1.37 114.94 121.90 2pne s ASN 11 Ca 0.21 2.51 0.00 0.00 -0.71 0.00 0.00 52.86 54.87 2pne s ASN 11 Cb -0.15 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.87 2pne s ASN 11 CO 0.10 -0.41 0.00 0.61 -1.51 0.00 0.00 177.10 175.89 2pne n GLY 12 N 1.21 -0.57 2.77 0.66 0.00 -0.65 -4.88 105.19 103.72 2pne n GLY 12 Ca 0.01 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 2pne n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pne s PRO 14 N -0.39 2.43 0.45 0.00 0.04 -1.26 -5.01 135.00 131.27 2pne s PRO 14 Ca 0.22 -0.43 -0.25 0.00 0.04 0.00 0.00 61.00 60.58 2pne s PRO 14 Cb -0.14 -2.31 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 2pne s PRO 14 CO -0.08 -0.96 1.42 0.20 0.04 0.00 0.00 177.00 177.62 2pne s GLY 15 N -4.45 2.92 0.44 0.56 0.00 -0.24 -4.90 107.32 101.64 2pne s GLY 15 Ca 0.58 1.45 0.04 0.00 0.00 0.00 0.00 44.72 46.79 2pne s GLY 15 CO 0.42 2.05 0.62 -0.51 0.00 0.00 0.00 173.10 175.68 2pne s THR 16 N -1.21 3.45 0.37 0.90 -4.23 -0.47 -2.65 115.64 111.79 2pne s THR 16 Ca 0.61 -0.79 -0.27 0.00 -1.18 0.00 0.00 61.69 60.06 2pne s THR 16 Cb -0.43 -3.23 -0.09 0.00 1.34 0.00 0.00 72.50 70.09 2pne s THR 16 CO 0.55 -0.12 1.19 0.00 -0.54 0.00 0.00 174.62 175.71 2pne s ALA 17 N -2.46 3.27 0.58 3.99 0.00 -1.26 -0.57 121.76 125.31 2pne s ALA 17 Ca 0.51 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 53.32 2pne s ALA 17 Cb -0.10 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2pne s ALA 17 CO 0.35 -0.51 1.15 0.20 0.00 0.00 0.00 175.76 176.95 2pne s GLY 18 N -0.94 2.58 0.42 0.00 0.00 0.28 -3.75 107.32 105.91 2pne s GLY 18 Ca 0.53 0.84 -0.19 0.00 0.00 0.00 0.00 44.72 45.90 2pne s GLY 18 CO 0.42 1.20 0.91 0.00 0.00 0.00 0.00 173.10 175.63 2pne s ALA 19 N -1.82 3.11 0.49 3.20 0.00 0.08 -3.18 121.76 123.65 2pne s ALA 19 Ca 0.73 0.28 -0.23 0.00 0.00 0.00 0.00 51.96 52.73 2pne s ALA 19 Cb -0.25 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 2pne s ALA 19 CO 0.32 0.11 1.36 0.00 0.00 0.00 0.00 175.76 177.55 2pne s ALA 20 N -2.21 3.01 0.66 0.00 0.00 -1.26 -0.70 121.76 121.26 2pne s ALA 20 Ca 0.60 1.33 -0.16 0.00 0.00 0.00 0.00 51.96 53.72 2pne s ALA 20 Cb -0.09 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2pne s ALA 20 CO 0.17 -1.20 1.18 0.20 0.00 0.00 0.00 175.76 176.11 2pne s GLY 21 N -0.83 2.44 0.42 0.00 0.00 0.69 -3.98 107.32 106.07 2pne s GLY 21 Ca 0.66 0.85 -0.22 0.00 0.00 0.00 0.00 44.72 46.01 2pne s GLY 21 CO 0.49 1.24 0.96 -0.56 0.00 0.00 0.00 173.10 175.23 2pne s SER 22 N -2.00 6.94 0.51 1.64 0.01 -0.13 -3.65 113.70 117.01 2pne s SER 22 Ca 0.74 1.74 -0.23 0.00 1.31 0.00 0.00 55.95 59.51 2pne s SER 22 Cb -0.27 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.34 2pne s SER 22 CO 0.40 -0.36 1.28 0.55 0.41 0.00 0.00 173.24 175.52 2pne n VAL 23 N -0.47 3.33 -2.32 3.43 3.14 -1.26 -0.38 118.33 123.79 2pne n VAL 23 Ca 0.06 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.52 2pne n VAL 23 Cb 0.53 -1.57 -0.03 0.00 -1.06 0.00 0.00 33.84 31.71 2pne n VAL 23 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2pne s GLY 24 N -0.80 2.01 1.21 7.55 0.00 0.24 -4.32 107.32 113.22 2pne s GLY 24 Ca 0.68 0.81 -0.15 0.00 0.00 0.00 0.00 44.72 46.05 2pne s GLY 24 CO 0.52 2.34 1.02 -0.32 0.00 0.00 0.00 173.10 176.66 2pne s GLY 25 N 1.60 1.51 -0.01 0.20 0.00 -1.26 -3.68 107.32 105.69 2pne s GLY 25 Ca 0.61 -0.40 -0.36 0.00 0.00 0.00 0.00 44.72 44.57 2pne s GLY 25 CO 0.25 0.40 1.66 -1.05 0.00 0.00 0.00 173.10 174.36 2pne n PRO 26 N -5.00 1.80 -0.74 2.90 -0.02 -1.26 -0.73 135.00 131.95 2pne n PRO 26 Ca 0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2pne n PRO 26 Cb 0.56 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2pne n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pne n GLY 27 N 3.69 0.70 3.38 -1.23 0.00 -0.56 -5.04 105.19 106.13 2pne n GLY 27 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 2pne n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pne s ASP 29 N -2.17 4.18 0.49 0.00 1.01 0.12 -0.30 116.67 120.01 2pne s ASP 29 Ca 0.14 1.73 -0.20 0.00 0.71 0.00 0.00 52.55 54.93 2pne s ASP 29 Cb -0.09 -2.42 -0.08 0.00 1.01 0.00 0.00 42.92 41.33 2pne s ASP 29 CO 0.06 -2.23 1.05 -0.83 0.21 0.00 0.00 175.17 173.44 2pne s GLY 30 N -3.39 2.53 0.55 0.21 0.00 -0.29 -0.66 107.32 106.27 2pne s GLY 30 Ca 0.62 0.63 -0.17 0.00 0.00 0.00 0.00 44.72 45.80 2pne s GLY 30 CO 0.56 0.96 1.03 -0.32 0.00 0.00 0.00 173.10 175.33 2pne s GLY 31 N -1.95 2.16 0.17 0.20 0.00 0.49 -3.24 107.32 105.15 2pne s GLY 31 Ca 0.68 0.34 -0.19 0.00 0.00 0.00 0.00 44.72 45.54 2pne s GLY 31 CO 0.21 0.64 0.67 0.30 0.00 0.00 0.00 173.10 174.92 2pne s HIS 32 N -2.45 3.71 0.68 1.90 3.76 -1.26 -0.42 115.29 121.20 2pne s HIS 32 Ca 0.62 1.35 -0.14 0.00 -0.15 0.00 0.00 55.06 56.74 2pne s HIS 32 Cb -0.14 -2.57 0.01 0.00 1.11 0.00 0.00 32.58 30.99 2pne s HIS 32 CO 0.32 0.42 1.10 0.20 -0.85 0.00 0.00 174.74 175.93 2pne s GLY 33 N -1.50 2.02 0.52 -2.22 0.00 0.56 -0.31 107.32 106.38 2pne s GLY 33 Ca 0.39 0.45 -0.19 0.00 0.00 0.00 0.00 44.72 45.36 2pne s GLY 33 CO 0.21 0.79 1.06 -0.32 0.00 0.00 0.00 173.10 174.84 2pne s GLY 34 N -2.84 2.46 0.38 0.20 0.00 0.12 -3.50 107.32 104.14 2pne s GLY 34 Ca 0.65 0.61 -0.25 0.00 0.00 0.00 0.00 44.72 45.72 2pne s GLY 34 CO 0.45 0.93 1.12 -1.31 0.00 0.00 0.00 173.10 174.29 2pne s ASN 35 N -2.09 6.73 0.67 1.64 0.01 -1.26 -0.31 114.94 120.34 2pne s ASN 35 Ca 0.68 2.22 -0.14 0.00 -0.71 0.00 0.00 52.86 54.91 2pne s ASN 35 Cb -0.18 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 38.88 2pne s ASN 35 CO 0.24 -0.52 1.10 -0.83 -1.51 0.00 0.00 177.10 175.58 2pne s GLY 36 N -1.24 2.04 0.51 0.66 0.00 0.11 -0.15 107.32 109.25 2pne s GLY 36 Ca 0.55 0.46 -0.20 0.00 0.00 0.00 0.00 44.72 45.52 2pne s GLY 36 CO 0.35 0.80 1.12 -0.32 0.00 0.00 0.00 173.10 175.05 2pne s GLY 37 N -2.81 2.65 0.11 0.20 0.00 0.26 -3.77 107.32 103.97 2pne s GLY 37 Ca 0.65 0.82 -0.27 0.00 0.00 0.00 0.00 44.72 45.91 2pne s GLY 37 CO 0.44 1.19 0.85 -1.31 0.00 0.00 0.00 173.10 174.27 2pne s ASN 38 N -1.71 7.39 0.23 1.64 0.01 -1.26 -0.83 114.94 120.41 2pne s ASN 38 Ca 0.70 1.66 -0.30 0.00 -0.71 0.00 0.00 52.86 54.21 2pne s ASN 38 Cb -0.24 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 38.81 2pne s ASN 38 CO 0.28 0.05 1.08 -0.83 -1.51 0.00 0.00 177.10 176.16 2pne s GLY 39 N -0.40 2.98 1.05 0.66 0.00 0.73 -1.64 107.32 110.70 2pne s GLY 39 Ca 0.41 0.83 -0.12 0.00 0.00 0.00 0.00 44.72 45.84 2pne s GLY 39 CO 0.27 1.53 1.07 -1.31 0.00 0.00 0.00 173.10 174.66 2pne s ASN 40 N -0.59 1.91 0.09 1.64 0.02 0.42 -4.68 114.94 113.74 2pne s ASN 40 Ca 0.46 1.66 -0.36 0.00 -1.02 0.00 0.00 52.86 53.60 2pne s ASN 40 Cb -0.30 -2.33 -0.16 0.00 0.02 0.00 0.00 41.25 38.48 2pne s ASN 40 CO 0.37 -3.65 1.39 -2.65 0.02 0.00 0.00 177.10 172.59 2pne n PRO 41 N -4.56 1.33 -0.65 -0.60 -0.02 -1.26 -1.00 135.00 128.24 2pne n PRO 41 Ca 0.06 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2pne n PRO 41 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2pne n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pne n GLY 42 N 2.72 0.81 3.37 -1.23 0.00 -1.26 -5.03 105.19 104.57 2pne n GLY 42 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2pne n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pne s ALA 44 N -1.32 2.39 0.38 0.00 0.00 -1.16 -0.86 121.76 121.19 2pne s ALA 44 Ca 0.14 0.81 -0.07 0.00 0.00 0.00 0.00 51.96 52.84 2pne s ALA 44 Cb -0.09 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 2pne s ALA 44 CO 0.07 -1.40 0.69 0.20 0.00 0.00 0.00 175.76 175.31 2pne s GLY 45 N -2.06 1.80 0.42 0.00 0.00 -0.20 -1.08 107.32 106.20 2pne s GLY 45 Ca 0.73 -0.42 -0.18 0.00 0.00 0.00 0.00 44.72 44.85 2pne s GLY 45 CO 0.39 -0.27 0.89 -0.32 0.00 0.00 0.00 173.10 173.80 2pne s GLY 46 N -3.38 2.29 0.50 0.20 0.00 -0.01 -3.34 107.32 103.57 2pne s GLY 46 Ca 0.47 0.24 -0.21 0.00 0.00 0.00 0.00 44.72 45.22 2pne s GLY 46 CO 0.33 0.49 1.10 0.54 0.00 0.00 0.00 173.10 175.56 2pne s VAL 47 N -2.23 3.41 0.51 1.40 0.11 -1.26 -0.31 120.40 122.04 2pne s VAL 47 Ca 0.59 0.92 -0.20 0.00 -2.93 0.00 0.00 61.98 60.36 2pne s VAL 47 Cb -0.10 -3.40 -0.07 0.00 -1.53 0.00 0.00 36.38 31.29 2pne s VAL 47 CO 0.19 -0.15 1.09 -0.83 -3.33 0.00 0.00 175.10 172.06 2pne s GLY 48 N -1.76 2.58 0.56 6.54 0.00 0.23 -0.56 107.32 114.91 2pne s GLY 48 Ca 0.68 0.72 -0.18 0.00 0.00 0.00 0.00 44.72 45.94 2pne s GLY 48 CO 0.26 1.06 1.11 -0.32 0.00 0.00 0.00 173.10 175.21 2pne s GLY 49 N -1.87 2.50 0.60 0.20 0.00 0.58 -3.13 107.32 106.21 2pne s GLY 49 Ca 0.70 0.73 -0.16 0.00 0.00 0.00 0.00 44.72 45.98 2pne s GLY 49 CO 0.24 1.08 1.09 0.00 0.00 0.00 0.00 173.10 175.50 2pne s ALA 50 N -1.94 2.64 0.54 3.20 0.00 -1.26 -0.42 121.76 124.51 2pne s ALA 50 Ca 0.71 0.55 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 2pne s ALA 50 Cb -0.22 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2pne s ALA 50 CO 0.30 -0.95 1.02 0.20 0.00 0.00 0.00 175.76 176.33 2pne s GLY 51 N -2.46 2.19 0.54 0.00 0.00 0.21 -0.22 107.32 107.58 2pne s GLY 51 Ca 0.67 0.36 -0.11 0.00 0.00 0.00 0.00 44.72 45.64 2pne s GLY 51 CO 0.36 0.67 0.94 -0.32 0.00 0.00 0.00 173.10 174.74 2pne s GLY 52 N -2.70 1.75 0.53 0.20 0.00 0.44 -3.24 107.32 104.30 2pne s GLY 52 Ca 0.63 -0.13 -0.18 0.00 0.00 0.00 0.00 44.72 45.04 2pne s GLY 52 CO 0.31 0.11 1.02 0.00 0.00 0.00 0.00 173.10 174.54 2pne s ALA 53 N -2.87 2.89 0.52 3.20 0.00 -1.26 -0.81 121.76 123.43 2pne s ALA 53 Ca 0.54 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.68 2pne s ALA 53 Cb -0.11 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 2pne s ALA 53 CO 0.44 -0.44 1.15 0.45 0.00 0.00 0.00 175.76 177.36 2pne s SER 54 N -2.61 5.81 -0.68 0.00 0.15 0.11 -0.59 113.70 115.89 2pne s SER 54 Ca 0.63 2.23 -0.02 0.00 0.70 0.00 0.00 55.95 59.49 2pne s SER 54 Cb -0.14 -2.59 0.27 0.00 -1.71 0.00 0.00 66.02 61.85 2pne s SER 54 CO 0.29 -1.16 2.25 0.61 1.20 0.00 0.00 173.24 176.43 2pne n GLY 55 N 0.26 5.14 1.06 9.45 0.00 0.59 -4.73 105.19 116.96 2pne n GLY 55 Ca 0.11 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2pne n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pne n GLY 56 N -0.12 0.70 0.00 -0.02 0.00 -1.26 -1.49 105.19 102.99 2pne n GLY 56 Ca 0.52 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2pne n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pne n THR 57 N -2.53 0.00 -0.96 2.61 -2.24 -1.26 -4.96 114.28 104.93 2pne n THR 57 Ca 0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2pne n THR 57 Cb 0.00 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2pne n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pne n GLY 58 N 1.42 0.52 2.94 3.38 0.00 -1.26 -5.01 105.19 107.18 2pne n GLY 58 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2pne n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pne s VAL 59 N -2.02 1.75 0.69 1.61 1.01 -1.26 -4.75 120.40 117.43 2pne s VAL 59 Ca 0.00 -1.74 -0.06 0.00 0.00 0.00 0.00 61.98 60.17 2pne s VAL 59 Cb 0.00 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.27 2pne s VAL 59 CO 0.00 -0.41 1.00 -0.83 0.00 0.00 0.00 175.10 174.86 2pne s GLY 60 N 1.22 1.68 0.52 4.51 0.00 -1.26 -1.14 107.32 112.85 2pne s GLY 60 Ca 0.04 -0.91 -0.19 0.00 0.00 0.00 0.00 44.72 43.66 2pne s GLY 60 CO -0.11 -0.52 1.06 -0.32 0.00 0.00 0.00 173.10 173.22 2pne s GLY 61 N -4.49 2.47 0.49 0.20 0.00 0.01 -4.51 107.32 101.48 2pne s GLY 61 Ca 0.59 0.62 -0.21 0.00 0.00 0.00 0.00 44.72 45.73 2pne s GLY 61 CO 0.45 0.95 1.07 0.50 0.00 0.00 0.00 173.10 176.07 2pne s ARG 62 N -3.39 3.73 0.59 2.90 1.81 -1.26 -0.18 118.95 123.15 2pne s ARG 62 Ca 0.68 1.47 -0.17 0.00 -1.72 0.00 0.00 55.73 55.99 2pne s ARG 62 Cb -0.18 -2.14 -0.03 0.00 -0.45 0.00 0.00 34.95 32.14 2pne s ARG 62 CO 0.24 -0.51 1.10 0.20 -0.68 0.00 0.00 175.30 175.65 2pne s GLY 63 N -1.84 2.35 0.70 -3.53 0.00 -1.26 -0.32 107.32 103.42 2pne s GLY 63 Ca 0.67 0.62 -0.13 0.00 0.00 0.00 0.00 44.72 45.89 2pne s GLY 63 CO 0.23 0.97 1.09 -0.32 0.00 0.00 0.00 173.10 175.07 2pne s GLY 64 N -2.28 1.91 0.22 0.20 0.00 0.44 -4.65 107.32 103.16 2pne s GLY 64 Ca 0.68 0.38 -0.30 0.00 0.00 0.00 0.00 44.72 45.48 2pne s GLY 64 CO 0.34 0.72 1.08 0.54 0.00 0.00 0.00 173.10 175.77 2pne s LYS 65 N -4.51 4.65 0.83 2.90 -0.14 -1.26 -0.41 119.74 121.80 2pne s LYS 65 Ca 0.63 1.71 -0.11 0.00 -1.36 0.00 0.00 55.97 56.84 2pne s LYS 65 Cb -0.18 -3.25 0.10 0.00 -1.68 0.00 0.00 37.83 32.81 2pne s LYS 65 CO 0.48 0.18 1.14 0.20 -0.76 0.00 0.00 175.35 176.59 2pne s GLY 66 N -0.49 1.83 0.42 -3.33 0.00 -1.23 0.05 107.32 104.57 2pne s GLY 66 Ca 0.47 0.55 -0.22 0.00 0.00 0.00 0.00 44.72 45.52 2pne s GLY 66 CO 0.36 0.95 0.95 -0.32 0.00 0.00 0.00 173.10 175.04 2pne s GLY 67 N -2.75 2.45 0.83 0.20 0.00 0.58 -4.53 107.32 104.10 2pne s GLY 67 Ca 0.67 0.43 -0.11 0.00 0.00 0.00 0.00 44.72 45.70 2pne s GLY 67 CO 0.54 0.73 1.13 -0.56 0.00 0.00 0.00 173.10 174.94 2pne s SER 68 N -2.09 3.76 0.00 1.64 0.01 -1.26 -0.58 113.70 115.18 2pne s SER 68 Ca 0.61 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.91 2pne s SER 68 Cb -0.11 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2pne s SER 68 CO 0.15 -2.54 0.00 0.61 0.41 0.00 0.00 173.24 171.87 2pne n GLY 69 N -0.39 -0.77 2.70 3.44 0.00 -1.26 -0.19 105.19 108.71 2pne n GLY 69 Ca 0.11 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 2pne n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pne s THR 70 N -2.87 1.27 0.69 2.61 2.01 -0.04 -2.44 115.64 116.87 2pne s THR 70 Ca 0.00 -2.35 -0.08 0.00 0.31 0.00 0.00 61.69 59.56 2pne s THR 70 Cb 0.00 -1.90 0.04 0.00 0.01 0.00 0.00 72.50 70.65 2pne s THR 70 CO 0.00 -0.87 1.02 -2.16 -0.69 0.00 0.00 174.62 171.92 2pne s PRO 71 N 0.56 2.50 0.70 4.92 0.04 -1.26 -2.99 135.00 139.48 2pne s PRO 71 Ca 0.17 0.01 -0.14 0.00 0.04 0.00 0.00 61.00 61.08 2pne s PRO 71 Cb -0.24 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.19 2pne s PRO 71 CO -0.03 -1.09 1.11 -1.59 0.04 0.00 0.00 177.00 175.44 2pne s LYS 72 N -5.24 2.55 0.36 4.56 -2.85 -1.02 -1.03 119.74 117.06 2pne s LYS 72 Ca 0.58 1.35 -0.25 0.00 -1.00 0.00 0.00 55.97 56.65 2pne s LYS 72 Cb -0.11 -1.92 -0.09 0.00 -2.06 0.00 0.00 37.83 33.65 2pne s LYS 72 CO 0.47 -1.44 1.02 0.20 0.10 0.00 0.00 175.35 175.70 2pne s GLY 73 N -2.79 2.80 0.68 0.59 0.00 0.25 -4.67 107.32 104.19 2pne s GLY 73 Ca 0.66 0.66 -0.12 0.00 0.00 0.00 0.00 44.72 45.92 2pne s GLY 73 CO 0.46 1.12 1.07 0.00 0.00 0.00 0.00 173.10 175.76 2pne s ALA 74 N -1.58 2.57 0.71 3.20 0.00 -1.26 -4.10 121.76 121.30 2pne s ALA 74 Ca 0.53 0.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 2pne s ALA 74 Cb -0.22 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.70 2pne s ALA 74 CO 0.28 -1.26 1.13 -0.51 0.00 0.00 0.00 175.76 175.40 2pne s ASP 75 N -3.31 4.64 0.65 0.00 1.01 -1.26 -0.60 116.67 117.80 2pne s ASP 75 Ca 0.61 2.06 -0.15 0.00 0.71 0.00 0.00 52.55 55.79 2pne s ASP 75 Cb -0.16 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.21 2pne s ASP 75 CO 0.49 -1.95 1.09 -0.83 0.21 0.00 0.00 175.17 174.18 2pne s GLY 76 N -2.61 2.08 0.25 0.21 0.00 0.45 -4.50 107.32 103.20 2pne s GLY 76 Ca 0.68 0.46 -0.20 0.00 0.00 0.00 0.00 44.72 45.65 2pne s GLY 76 CO 0.46 0.80 0.77 0.00 0.00 0.00 0.00 173.10 175.12 2pne s ALA 77 N -2.46 3.36 0.84 3.20 0.00 -1.26 -4.13 121.76 121.32 2pne s ALA 77 Ca 0.65 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 2pne s ALA 77 Cb -0.19 -2.88 0.10 0.00 0.00 0.00 0.00 23.12 20.15 2pne s ALA 77 CO 0.42 0.30 1.11 -1.25 0.00 0.00 0.00 175.76 176.34 2pne s PRO 78 N -2.09 1.67 0.57 0.00 0.04 -1.26 -0.62 135.00 133.30 2pne s PRO 78 Ca 0.45 1.24 -0.08 0.00 0.04 0.00 0.00 61.00 62.65 2pne s PRO 78 Cb -0.16 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2pne s PRO 78 CO 0.21 -2.08 0.93 0.20 0.04 0.00 0.00 177.00 176.30 2pne s GLY 79 N -3.15 1.59 0.03 0.56 0.00 0.75 -4.44 107.32 102.65 2pne s GLY 79 Ca 0.63 -0.32 -0.30 0.00 0.00 0.00 0.00 44.72 44.73 2pne s GLY 79 CO 0.57 -0.09 1.92 0.00 0.00 0.00 0.00 173.10 175.50 2pne s ALA 80 N -3.00 3.60 -2.07 3.20 0.00 -1.26 -4.24 121.76 118.00 2pne s ALA 80 Ca 0.52 1.29 0.31 0.00 0.00 0.00 0.00 51.96 54.09 2pne s ALA 80 Cb -0.11 -3.83 1.79 0.00 0.00 0.00 0.00 23.12 20.97 2pne s ALA 80 CO 0.49 -1.52 2.16 -0.35 0.00 0.00 0.00 175.76 176.55