#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x43 n SER 2 N 0.00 1.20 -1.95 1.61 2.88 -1.26 -5.05 113.62 111.06 1x43 n SER 2 Ca 0.00 0.16 -0.13 0.00 -1.33 0.00 0.00 58.87 57.58 1x43 n SER 2 Cb 0.00 -0.38 0.03 0.00 -0.75 0.00 0.00 64.21 63.11 1x43 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x43 n SER 3 N -3.61 -4.19 -1.84 -3.46 2.88 -1.26 -4.38 113.62 97.75 1x43 n SER 3 Ca -0.02 -0.22 -0.01 0.00 -1.33 0.00 0.00 58.87 57.29 1x43 n SER 3 Cb 0.09 -2.93 0.00 0.00 -0.75 0.00 0.00 64.21 60.62 1x43 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x43 n GLY 4 N -1.24 -2.35 3.22 0.46 0.00 -1.26 -5.05 105.19 98.97 1x43 n GLY 4 Ca -0.03 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1x43 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x43 s SER 5 N -0.82 3.69 -0.17 1.61 0.15 -1.26 -5.10 113.70 111.80 1x43 s SER 5 Ca 0.03 -0.52 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 1x43 s SER 5 Cb -0.01 -1.60 -0.01 0.00 -1.71 0.00 0.00 66.02 62.69 1x43 s SER 5 CO 0.21 0.00 -0.09 -0.55 1.20 0.00 0.00 173.24 174.02 1x43 s SER 6 N 1.29 4.18 0.00 5.45 0.15 -1.26 -4.55 113.70 118.96 1x43 s SER 6 Ca 0.04 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1x43 s SER 6 Cb -0.14 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 1x43 s SER 6 CO -0.07 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1x43 n GLY 7 N 4.10 1.74 0.22 9.45 0.00 -1.26 -4.90 105.19 114.53 1x43 n GLY 7 Ca -0.18 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 1x43 n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x43 h LEU 8 N 0.00 -0.39 -1.29 0.99 4.07 -2.05 -3.46 115.31 113.18 1x43 h LEU 8 Ca 0.00 -0.15 -0.59 0.00 0.08 0.00 0.00 57.88 57.22 1x43 h LEU 8 Cb 0.00 0.10 -0.29 0.00 1.08 0.00 0.00 40.66 41.55 1x43 h LEU 8 CO 0.00 0.05 -0.89 -0.46 -1.08 0.00 0.00 178.44 176.07 1x43 n ASN 9 N -5.11 -2.06 -4.38 -0.43 6.94 -1.26 -4.80 115.26 104.16 1x43 n ASN 9 Ca -0.09 -1.15 -0.39 0.00 -0.02 0.00 0.00 54.58 52.94 1x43 n ASN 9 Cb 0.27 -2.12 0.02 0.00 -2.36 0.00 0.00 39.78 35.59 1x43 n ASN 9 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1x43 n ASP 10 N -2.60 -1.99 -3.95 0.53 5.68 -1.26 -4.99 116.55 107.97 1x43 n ASP 10 Ca 0.04 0.73 -0.24 0.00 -0.50 0.00 0.00 54.79 54.82 1x43 n ASP 10 Cb 0.50 -1.04 -0.17 0.00 -1.14 0.00 0.00 41.12 39.27 1x43 n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1x43 s LEU 11 N 2.47 1.41 0.15 -2.12 1.43 -1.26 -5.14 118.68 115.62 1x43 s LEU 11 Ca 0.64 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 53.43 1x43 s LEU 11 Cb -0.49 -0.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.94 1x43 s LEU 11 CO 0.59 -0.04 0.40 -1.59 0.23 0.00 0.00 176.35 175.94 1x43 s LYS 12 N 1.05 3.65 -0.81 1.70 -2.85 -1.26 -5.05 119.74 116.16 1x43 s LYS 12 Ca -0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 55.97 54.84 1x43 s LYS 12 Cb -0.14 -2.82 0.20 0.00 -2.06 0.00 0.00 37.83 33.00 1x43 s LYS 12 CO -0.01 0.45 0.67 -1.21 0.10 0.00 0.00 175.35 175.35 1x43 s GLU 13 N -2.66 3.03 -0.29 1.78 8.01 -1.26 -4.99 118.70 122.32 1x43 s GLU 13 Ca 0.42 -3.10 -0.16 0.00 0.01 0.00 0.00 54.97 52.13 1x43 s GLU 13 Cb -0.12 -3.86 0.16 0.00 -4.31 0.00 0.00 34.13 26.01 1x43 s GLU 13 CO 0.24 -1.25 1.06 0.45 0.01 0.00 0.00 175.26 175.77 1x43 s SER 14 N -0.05 -0.38 -0.81 -0.19 0.15 -1.26 -5.11 113.70 106.05 1x43 s SER 14 Ca 0.25 0.60 -0.16 0.00 0.70 0.00 0.00 55.95 57.34 1x43 s SER 14 Cb -0.10 1.17 0.18 0.00 -1.71 0.00 0.00 66.02 65.56 1x43 s SER 14 CO -0.11 -0.09 0.82 -0.55 1.20 0.00 0.00 173.24 174.51 1x43 s SER 15 N 1.30 6.63 -0.42 5.45 0.15 -1.26 -4.86 113.70 120.69 1x43 s SER 15 Ca -0.08 -2.36 0.04 0.00 0.70 0.00 0.00 55.95 54.25 1x43 s SER 15 Cb -0.03 -2.26 0.47 0.00 -1.71 0.00 0.00 66.02 62.48 1x43 s SER 15 CO -0.14 -0.76 1.52 -0.46 1.20 0.00 0.00 173.24 174.61 1x43 n ASN 16 N 4.88 5.46 -3.32 5.45 0.23 -1.26 -5.00 115.26 121.70 1x43 n ASN 16 Ca 0.12 -3.77 -0.18 0.00 -0.53 0.00 0.00 54.58 50.22 1x43 n ASN 16 Cb 0.46 -0.61 -0.07 0.00 -2.08 0.00 0.00 39.78 37.49 1x43 n ASN 16 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1x43 s ASN 17 N -2.82 1.40 0.44 0.53 -0.87 -1.26 -5.07 114.94 107.28 1x43 s ASN 17 Ca 0.55 -1.66 0.03 0.00 -1.57 0.00 0.00 52.86 50.21 1x43 s ASN 17 Cb 0.44 0.59 0.01 0.00 -0.02 0.00 0.00 41.25 42.27 1x43 s ASN 17 CO 0.02 -1.14 0.63 -0.13 -2.57 0.00 0.00 177.10 173.91 1x43 s ARG 18 N -3.31 2.91 -0.01 -0.60 1.81 0.14 -4.93 118.95 114.96 1x43 s ARG 18 Ca 0.37 -0.81 0.03 0.00 -1.72 0.00 0.00 55.73 53.61 1x43 s ARG 18 Cb 0.01 -2.64 -0.01 0.00 -0.45 0.00 0.00 34.95 31.87 1x43 s ARG 18 CO 0.25 -0.30 -0.10 0.15 -0.68 0.00 0.00 175.30 174.62 1x43 s LYS 19 N -4.48 0.85 0.01 3.54 -0.14 -1.26 -0.65 119.74 117.61 1x43 s LYS 19 Ca 0.51 -0.37 -0.17 0.00 -1.36 0.00 0.00 55.97 54.58 1x43 s LYS 19 Cb -0.10 -0.82 0.03 0.00 -1.68 0.00 0.00 37.83 35.26 1x43 s LYS 19 CO 0.36 0.22 0.38 0.00 -0.76 0.00 0.00 175.35 175.54 1x43 s ALA 20 N -0.23 -0.93 -0.16 5.17 0.00 -1.19 -3.24 121.76 121.18 1x43 s ALA 20 Ca 0.04 0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 1x43 s ALA 20 Cb -0.04 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1x43 s ALA 20 CO -0.00 -0.36 0.11 0.50 0.00 0.00 0.00 175.76 176.00 1x43 s ARG 21 N -1.93 3.75 0.09 0.00 3.52 -1.22 -2.45 118.95 120.72 1x43 s ARG 21 Ca -0.09 -0.22 -0.31 0.00 -0.13 0.00 0.00 55.73 54.98 1x43 s ARG 21 Cb -0.02 -3.24 -0.07 0.00 -1.56 0.00 0.00 34.95 30.06 1x43 s ARG 21 CO 0.01 0.52 1.24 0.08 -0.81 0.00 0.00 175.30 176.34 1x43 s VAL 22 N -0.29 3.78 -0.08 7.11 1.01 0.11 -1.86 120.40 130.19 1x43 s VAL 22 Ca 0.10 1.31 0.04 0.00 0.00 0.00 0.00 61.98 63.44 1x43 s VAL 22 Cb -0.12 -3.84 -0.24 0.00 0.00 0.00 0.00 36.38 32.18 1x43 s VAL 22 CO 0.01 0.12 0.52 0.18 0.00 0.00 0.00 175.10 175.94 1x43 n LEU 23 N 3.69 1.66 -3.92 3.92 4.77 0.59 -1.41 117.00 126.30 1x43 n LEU 23 Ca 0.09 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.29 1x43 n LEU 23 Cb 0.45 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 1x43 n LEU 23 CO 0.56 0.60 -0.22 -0.31 -1.33 0.00 0.00 177.39 176.69 1x43 s TYR 24 N -2.58 0.15 0.54 -1.77 1.51 -1.25 -4.60 117.35 109.35 1x43 s TYR 24 Ca -0.13 -0.38 -0.20 0.00 -1.01 0.00 0.00 57.07 55.36 1x43 s TYR 24 Cb 0.07 -0.12 -0.05 0.00 -0.11 0.00 0.00 41.96 41.75 1x43 s TYR 24 CO 0.80 -0.31 1.18 0.34 -1.11 0.00 0.00 175.55 176.45 1x43 s ASP 25 N -1.74 5.62 0.04 2.29 -1.08 -1.26 -4.44 116.67 116.09 1x43 s ASP 25 Ca -0.10 2.32 0.03 0.00 -0.52 0.00 0.00 52.55 54.27 1x43 s ASP 25 Cb -0.05 -2.60 -0.02 0.00 -1.46 0.00 0.00 42.92 38.79 1x43 s ASP 25 CO -0.02 -1.30 -0.09 -0.47 0.52 0.00 0.00 175.17 173.82 1x43 s TYR 26 N -1.63 0.75 -0.36 -5.34 5.04 0.80 -4.94 117.35 111.67 1x43 s TYR 26 Ca 0.72 -0.41 -0.01 0.00 -2.44 0.00 0.00 57.07 54.93 1x43 s TYR 26 Cb -0.28 -0.45 0.09 0.00 0.35 0.00 0.00 41.96 41.67 1x43 s TYR 26 CO 0.32 -0.04 0.11 -0.51 -1.34 0.00 0.00 175.55 174.09 1x43 s ASP 27 N -1.28 5.06 -0.11 4.32 1.01 -1.26 -2.27 116.67 122.14 1x43 s ASP 27 Ca -0.06 -1.81 -0.37 0.00 0.71 0.00 0.00 52.55 51.02 1x43 s ASP 27 Cb -0.08 -1.76 -0.15 0.00 1.01 0.00 0.00 42.92 41.94 1x43 s ASP 27 CO 0.01 -0.43 1.67 0.00 0.21 0.00 0.00 175.17 176.62 1x43 n ALA 28 N 4.55 0.02 -0.12 5.23 0.00 -1.26 -4.86 120.51 124.07 1x43 n ALA 28 Ca -0.05 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.66 1x43 n ALA 28 Cb 0.42 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 1x43 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x43 h ALA 29 N 6.91 0.56 -4.61 0.00 0.00 -1.92 -3.47 119.26 116.74 1x43 h ALA 29 Ca -0.47 -0.45 -0.41 0.00 0.00 0.00 0.00 54.91 53.57 1x43 h ALA 29 Cb 1.31 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 1x43 h ALA 29 CO 0.91 0.66 -0.37 0.27 0.00 0.00 0.00 179.25 180.72 1x43 n ASN 30 N -4.07 -0.83 0.02 0.00 0.23 -1.26 -5.03 115.26 104.32 1x43 n ASN 30 Ca -0.02 -3.03 -0.11 0.00 -0.53 0.00 0.00 54.58 50.89 1x43 n ASN 30 Cb 0.54 1.80 -0.04 0.00 -2.08 0.00 0.00 39.78 40.00 1x43 n ASN 30 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1x43 h SER 31 N 1.94 -0.88 -1.23 0.53 0.02 -1.99 -0.84 113.55 111.11 1x43 h SER 31 Ca -0.23 0.13 0.39 0.00 -0.84 0.00 0.00 61.79 61.24 1x43 h SER 31 Cb 1.14 0.37 -0.13 0.00 0.14 0.00 0.00 62.40 63.93 1x43 h SER 31 CO 0.33 -0.34 0.78 0.71 -1.14 0.00 0.00 176.83 177.17 1x43 h THR 32 N -0.39 0.20 -3.45 -2.27 1.35 -1.97 -3.40 112.91 102.99 1x43 h THR 32 Ca 0.09 -0.05 -0.50 0.00 -0.55 0.00 0.00 66.41 65.39 1x43 h THR 32 Cb 0.51 0.03 0.01 0.00 -1.73 0.00 0.00 68.15 66.97 1x43 h THR 32 CO -0.30 0.03 0.01 -1.61 -0.25 0.00 0.00 175.52 173.40 1x43 s GLU 33 N -5.37 3.67 0.13 4.72 2.02 -0.32 0.90 118.70 124.45 1x43 s GLU 33 Ca -0.08 0.21 0.09 0.00 0.02 0.00 0.00 54.97 55.21 1x43 s GLU 33 Cb 0.29 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 1x43 s GLU 33 CO 0.81 0.03 -0.22 -0.51 0.02 0.00 0.00 175.26 175.40 1x43 s LEU 34 N -3.94 2.35 0.22 1.80 1.43 -1.17 -4.66 118.68 114.71 1x43 s LEU 34 Ca 0.47 -0.76 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 1x43 s LEU 34 Cb -0.10 -0.95 -0.09 0.00 0.03 0.00 0.00 46.19 45.07 1x43 s LEU 34 CO 0.34 0.06 0.90 -0.44 0.23 0.00 0.00 176.35 177.44 1x43 s SER 35 N -2.21 7.59 -0.04 2.29 0.01 -1.26 -4.07 113.70 116.02 1x43 s SER 35 Ca 0.12 1.88 0.07 0.00 1.31 0.00 0.00 55.95 59.32 1x43 s SER 35 Cb -0.09 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1x43 s SER 35 CO 0.06 0.17 -0.24 -0.76 0.41 0.00 0.00 173.24 172.88 1x43 s LEU 36 N -1.17 2.04 -0.08 2.44 1.43 -0.96 -4.95 118.68 117.44 1x43 s LEU 36 Ca 0.40 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1x43 s LEU 36 Cb -0.25 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1x43 s LEU 36 CO 0.31 0.27 0.08 -0.76 0.23 0.00 0.00 176.35 176.47 1x43 s LEU 37 N -0.36 3.98 0.13 1.79 1.43 -1.26 -0.14 118.68 124.25 1x43 s LEU 37 Ca 0.03 0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 53.09 1x43 s LEU 37 Cb -0.11 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 1x43 s LEU 37 CO 0.01 0.36 1.63 0.00 0.23 0.00 0.00 176.35 178.58 1x43 s ALA 38 N -1.03 3.75 -0.32 4.21 0.00 -1.26 -2.75 121.76 124.36 1x43 s ALA 38 Ca 0.17 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.44 1x43 s ALA 38 Cb -0.12 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1x43 s ALA 38 CO 0.06 -0.94 0.28 -0.25 0.00 0.00 0.00 175.76 174.91 1x43 n ASP 39 N 4.70 -2.67 -3.87 0.00 9.92 -0.50 -4.96 116.55 119.17 1x43 n ASP 39 Ca 0.15 -0.14 -0.19 0.00 -0.53 0.00 0.00 54.79 54.08 1x43 n ASP 39 Cb 0.39 -1.63 -0.16 0.00 -0.64 0.00 0.00 41.12 39.08 1x43 n ASP 39 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1x43 s GLU 40 N -4.94 0.65 -0.25 -1.24 -1.05 -1.11 -4.90 118.70 105.86 1x43 s GLU 40 Ca 0.09 -0.06 -0.09 0.00 -0.15 0.00 0.00 54.97 54.76 1x43 s GLU 40 Cb -0.04 -0.70 -0.04 0.00 -0.44 0.00 0.00 34.13 32.91 1x43 s GLU 40 CO 0.18 -0.08 0.12 0.08 0.95 0.00 0.00 175.26 176.51 1x43 s VAL 41 N 0.88 4.87 0.45 1.83 1.01 -1.26 0.07 120.40 128.26 1x43 s VAL 41 Ca -0.11 0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1x43 s VAL 41 Cb -0.14 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1x43 s VAL 41 CO -0.00 0.33 0.05 0.27 0.00 0.00 0.00 175.10 175.74 1x43 s ILE 42 N 1.38 1.10 -0.24 2.22 -4.36 -1.03 -4.96 121.20 115.32 1x43 s ILE 42 Ca 0.06 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.22 1x43 s ILE 42 Cb -0.15 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.17 1x43 s ILE 42 CO 0.06 0.00 0.76 -0.89 0.24 0.00 0.00 174.94 175.10 1x43 s THR 43 N -3.00 4.90 0.03 8.37 2.01 -1.25 -3.19 115.64 123.51 1x43 s THR 43 Ca 0.18 1.42 0.08 0.00 0.31 0.00 0.00 61.69 63.68 1x43 s THR 43 Cb 0.04 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1x43 s THR 43 CO 0.10 -0.02 -0.22 0.68 -0.69 0.00 0.00 174.62 174.46 1x43 s VAL 44 N 2.61 2.44 -0.13 3.82 -7.23 0.18 -1.55 120.40 120.54 1x43 s VAL 44 Ca 0.32 -1.24 -0.25 0.00 -1.81 0.00 0.00 61.98 59.00 1x43 s VAL 44 Cb -0.15 -1.97 0.06 0.00 0.56 0.00 0.00 36.38 34.87 1x43 s VAL 44 CO 0.08 0.39 0.62 0.72 -0.31 0.00 0.00 175.10 176.60 1x43 s PHE 45 N -0.83 -0.62 0.59 2.82 -0.71 -0.62 0.27 117.98 118.88 1x43 s PHE 45 Ca 0.13 1.30 -0.14 0.00 -1.04 0.00 0.00 56.93 57.17 1x43 s PHE 45 Cb -0.10 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 1x43 s PHE 45 CO 0.03 -0.46 1.03 -1.54 -1.34 0.00 0.00 175.22 172.94 1x43 s SER 46 N -0.49 6.04 -0.01 1.98 1.04 -1.26 0.60 113.70 121.60 1x43 s SER 46 Ca -0.06 1.65 -0.05 0.00 0.48 0.00 0.00 55.95 57.97 1x43 s SER 46 Cb -0.03 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1x43 s SER 46 CO 0.05 -0.99 0.10 -0.69 0.98 0.00 0.00 173.24 172.69 1x43 s VAL 47 N -2.72 0.06 0.09 5.02 1.01 -1.26 -4.88 120.40 117.73 1x43 s VAL 47 Ca 0.60 -0.49 -0.37 0.00 0.00 0.00 0.00 61.98 61.72 1x43 s VAL 47 Cb -0.13 -0.32 -0.17 0.00 0.00 0.00 0.00 36.38 35.77 1x43 s VAL 47 CO 0.41 -0.27 1.35 0.52 0.00 0.00 0.00 175.10 177.11 1x43 n VAL 48 N 2.01 0.00 0.00 2.92 0.31 -1.26 0.35 118.33 122.67 1x43 n VAL 48 Ca -0.19 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1x43 n VAL 48 Cb 0.57 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 1x43 n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x43 n GLY 49 N 2.57 3.01 3.70 2.92 0.00 -1.26 -4.98 105.19 111.15 1x43 n GLY 49 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1x43 n GLY 49 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x43 n MET 50 N -1.90 2.37 -2.15 1.61 0.00 0.16 -4.94 117.12 112.27 1x43 n MET 50 Ca 0.00 0.85 -0.36 0.00 0.00 0.00 0.00 57.70 58.18 1x43 n MET 50 Cb 0.00 -2.58 0.01 0.00 0.00 0.00 0.00 33.22 30.65 1x43 n MET 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1x43 s ASP 51 N 0.50 5.69 0.52 6.12 1.01 -1.26 -4.84 116.67 124.42 1x43 s ASP 51 Ca 0.68 2.34 0.26 0.00 0.71 0.00 0.00 52.55 56.54 1x43 s ASP 51 Cb -0.58 -2.60 1.46 0.00 1.01 0.00 0.00 42.92 42.21 1x43 s ASP 51 CO 0.47 -1.25 2.10 0.28 0.21 0.00 0.00 175.17 176.98 1x43 h SER 52 N 1.44 0.00 -0.33 0.27 0.02 -1.99 -0.93 113.55 112.03 1x43 h SER 52 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1x43 h SER 52 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1x43 h SER 52 CO 0.58 0.10 0.00 0.47 -1.14 0.00 0.00 176.83 176.84 1x43 n ASP 53 N -3.78 3.10 -3.71 3.07 9.92 -1.26 -4.82 116.55 119.06 1x43 n ASP 53 Ca -0.02 -2.35 -0.12 0.00 -0.53 0.00 0.00 54.79 51.77 1x43 n ASP 53 Cb 0.21 -0.50 -0.10 0.00 -0.64 0.00 0.00 41.12 40.09 1x43 n ASP 53 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1x43 s TRP 54 N -1.80 -0.53 0.43 1.24 0.52 -0.36 -2.83 118.94 115.61 1x43 s TRP 54 Ca 0.28 1.24 0.04 0.00 0.02 0.00 0.00 56.10 57.69 1x43 s TRP 54 Cb 0.20 0.21 -0.05 0.00 -1.15 0.00 0.00 33.47 32.67 1x43 s TRP 54 CO 0.11 -0.27 0.03 -0.51 0.02 0.00 0.00 176.95 176.33 1x43 s LEU 55 N 0.57 2.45 -0.60 2.99 1.43 0.28 -4.25 118.68 121.55 1x43 s LEU 55 Ca -0.03 -1.51 -0.20 0.00 -1.03 0.00 0.00 54.13 51.37 1x43 s LEU 55 Cb -0.04 -0.65 0.09 0.00 0.03 0.00 0.00 46.19 45.61 1x43 s LEU 55 CO -0.03 -0.67 0.78 -0.32 0.23 0.00 0.00 176.35 176.33 1x43 s MET 56 N -3.80 3.08 -0.01 1.70 1.75 0.20 -0.65 119.30 121.57 1x43 s MET 56 Ca 0.24 -1.10 -0.13 0.00 -1.25 0.00 0.00 55.69 53.46 1x43 s MET 56 Cb 0.06 -4.23 -0.05 0.00 2.84 0.00 0.00 34.83 33.45 1x43 s MET 56 CO 0.12 -1.59 0.36 0.20 -0.65 0.00 0.00 175.02 173.46 1x43 s GLY 57 N 3.52 2.40 -0.23 2.11 0.00 -0.72 -1.59 107.32 112.81 1x43 s GLY 57 Ca 0.16 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.56 1x43 s GLY 57 CO 0.08 0.00 -0.05 1.85 0.00 0.00 0.00 173.10 174.98 1x43 s GLU 58 N -1.19 1.61 -0.37 2.90 2.12 -0.59 -2.20 118.70 120.98 1x43 s GLU 58 Ca 0.23 -0.97 -0.05 0.00 0.36 0.00 0.00 54.97 54.55 1x43 s GLU 58 Cb -0.15 -2.57 0.07 0.00 0.26 0.00 0.00 34.13 31.74 1x43 s GLU 58 CO 0.12 -0.59 0.15 0.50 -0.54 0.00 0.00 175.26 174.90 1x43 s ARG 59 N 1.41 2.37 4.21 4.30 3.52 -1.01 -3.94 118.95 129.82 1x43 s ARG 59 Ca -0.06 -1.47 0.00 0.00 -0.13 0.00 0.00 55.73 54.07 1x43 s ARG 59 Cb -0.19 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 1x43 s ARG 59 CO -0.06 -0.85 0.00 0.41 -0.81 0.00 0.00 175.30 173.98 1x43 n GLY 60 N 4.72 0.83 2.06 8.12 0.00 -1.26 -2.11 105.19 117.55 1x43 n GLY 60 Ca -0.09 0.43 -0.20 0.00 0.00 0.00 0.00 46.02 46.16 1x43 n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x43 n ASN 61 N 8.14 4.42 -4.13 1.61 3.02 -1.26 -5.04 115.26 122.03 1x43 n ASN 61 Ca 0.00 -3.55 -0.09 0.00 -0.03 0.00 0.00 54.58 50.90 1x43 n ASN 61 Cb 0.00 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 38.71 1x43 n ASN 61 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x43 s GLN 62 N -3.59 0.91 -0.04 3.52 -0.21 -0.90 -4.96 119.66 114.39 1x43 s GLN 62 Ca 0.48 -1.40 -0.17 0.00 0.02 0.00 0.00 55.36 54.29 1x43 s GLN 62 Cb 0.40 0.25 0.03 0.00 1.00 0.00 0.00 33.01 34.69 1x43 s GLN 62 CO 0.03 -0.26 0.37 0.15 -2.12 0.00 0.00 175.29 173.46 1x43 s LYS 63 N -4.03 0.69 0.00 2.91 1.02 -1.26 -2.39 119.74 116.68 1x43 s LYS 63 Ca 0.22 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.19 1x43 s LYS 63 Cb 0.07 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 1x43 s LYS 63 CO 0.00 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 1x43 n GLY 64 N 1.46 0.82 3.72 -3.33 0.00 -0.93 -4.82 105.19 102.11 1x43 n GLY 64 Ca -0.20 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 1x43 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x43 s LYS 65 N -1.24 4.28 -0.08 1.61 1.02 0.26 -1.76 119.74 123.82 1x43 s LYS 65 Ca 0.00 0.21 0.04 0.00 0.02 0.00 0.00 55.97 56.24 1x43 s LYS 65 Cb 0.00 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1x43 s LYS 65 CO 0.00 0.19 -0.22 0.14 -0.92 0.00 0.00 175.35 174.55 1x43 s VAL 66 N 0.57 2.32 -0.09 3.17 -7.23 0.17 -3.04 120.40 116.28 1x43 s VAL 66 Ca 0.19 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 59.12 1x43 s VAL 66 Cb -0.14 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 1x43 s VAL 66 CO 0.06 0.56 1.51 -2.16 -0.31 0.00 0.00 175.10 174.76 1x43 s PRO 67 N 0.04 4.20 0.38 4.82 0.04 -1.26 -0.56 135.00 142.66 1x43 s PRO 67 Ca -0.09 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.01 1x43 s PRO 67 Cb -0.15 -3.89 0.73 0.00 0.04 0.00 0.00 34.50 31.23 1x43 s PRO 67 CO 0.05 -0.79 2.00 0.82 0.04 0.00 0.00 177.00 179.13 1x43 h ILE 68 N 5.51 1.14 -0.04 0.56 5.03 -1.85 -1.31 117.51 126.55 1x43 h ILE 68 Ca -0.35 -0.36 0.01 0.00 -0.12 0.00 0.00 64.86 64.05 1x43 h ILE 68 Cb 1.15 0.52 -0.00 0.00 -3.03 0.00 0.00 36.82 35.46 1x43 h ILE 68 CO 0.96 0.16 0.20 0.71 -0.68 0.00 0.00 178.15 179.49 1x43 h THR 69 N 0.64 0.08 0.00 -0.27 1.35 -1.91 0.35 112.91 113.14 1x43 h THR 69 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1x43 h THR 69 Cb 0.01 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1x43 h THR 69 CO -0.03 0.00 -0.97 -1.22 -0.25 0.00 0.00 175.52 173.05 1x43 n TYR 70 N -3.11 0.00 -4.30 4.73 4.02 -0.51 -4.94 117.16 113.05 1x43 n TYR 70 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.55 1x43 n TYR 70 Cb 0.27 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.48 1x43 n TYR 70 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1x43 s LEU 71 N -3.00 3.41 -0.55 7.72 1.43 0.12 -0.30 118.68 127.51 1x43 s LEU 71 Ca 0.07 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1x43 s LEU 71 Cb 0.15 -2.00 0.15 0.00 0.03 0.00 0.00 46.19 44.52 1x43 s LEU 71 CO 0.80 0.26 0.34 -0.70 0.23 0.00 0.00 176.35 177.29 1x43 s GLU 72 N -1.67 1.87 -0.62 1.70 2.12 -0.78 -4.85 118.70 116.47 1x43 s GLU 72 Ca 0.20 -2.67 -0.35 0.00 0.36 0.00 0.00 54.97 52.51 1x43 s GLU 72 Cb -0.11 -2.92 -0.16 0.00 0.26 0.00 0.00 34.13 31.19 1x43 s GLU 72 CO 0.11 -1.21 2.37 1.28 -0.54 0.00 0.00 175.26 177.27 1x43 n LEU 73 N 2.80 1.17 -4.44 2.70 4.77 -1.26 -3.43 117.00 119.31 1x43 n LEU 73 Ca 0.13 0.29 -0.31 0.00 -0.03 0.00 0.00 56.01 56.10 1x43 n LEU 73 Cb 0.35 -1.09 0.27 0.00 -2.33 0.00 0.00 43.42 40.62 1x43 n LEU 73 CO 0.27 -0.85 0.51 -0.76 -1.33 0.00 0.00 177.39 175.23 1x43 s LEU 74 N 8.15 -0.33 -0.30 2.23 1.43 -1.20 -5.00 118.68 123.65 1x43 s LEU 74 Ca 1.20 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 54.82 1x43 s LEU 74 Cb -1.08 -2.20 0.17 0.00 0.03 0.00 0.00 46.19 43.11 1x43 s LEU 74 CO 0.51 -4.87 1.04 0.21 0.23 0.00 0.00 176.35 173.47 1x43 s ASN 75 N -3.58 -0.50 -0.15 2.29 3.04 -1.26 -4.99 114.94 109.79 1x43 s ASN 75 Ca 0.70 0.62 -0.06 0.00 0.04 0.00 0.00 52.86 54.17 1x43 s ASN 75 Cb -0.10 1.54 0.07 0.00 -1.54 0.00 0.00 41.25 41.22 1x43 s ASN 75 CO 0.57 -0.09 0.33 -0.55 -3.04 0.00 0.00 177.10 174.31 1x43 s SER 76 N 2.46 -0.00 1.12 -4.21 0.15 -1.26 -5.16 113.70 106.79 1x43 s SER 76 Ca -0.01 0.75 -0.09 0.00 0.70 0.00 0.00 55.95 57.29 1x43 s SER 76 Cb -0.06 0.88 0.14 0.00 -1.71 0.00 0.00 66.02 65.28 1x43 s SER 76 CO -0.17 -0.22 0.32 0.61 1.20 0.00 0.00 173.24 174.98 1x43 n GLY 77 N 5.12 -3.54 3.55 9.45 0.00 -1.26 -4.79 105.19 113.73 1x43 n GLY 77 Ca -0.11 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 1x43 n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x43 s PRO 78 N -3.60 2.60 0.66 1.61 0.04 -1.26 -4.95 135.00 130.10 1x43 s PRO 78 Ca 0.25 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.47 1x43 s PRO 78 Cb -0.04 -4.58 -0.09 0.00 0.04 0.00 0.00 34.50 29.82 1x43 s PRO 78 CO 0.21 -2.92 0.22 0.43 0.04 0.00 0.00 177.00 174.97 1x43 n SER 79 N 13.12 -2.31 -3.61 6.66 7.64 -1.26 -5.01 113.62 128.86 1x43 n SER 79 Ca 0.26 0.60 -0.00 0.00 1.01 0.00 0.00 58.87 60.74 1x43 n SER 79 Cb 0.51 -1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 62.58 1x43 n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x43 s SER 80 N -1.23 -0.33 0.00 6.43 1.04 -1.26 -5.30 113.70 113.04 1x43 s SER 80 Ca 0.61 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.56 1x43 s SER 80 Cb -0.39 1.17 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1x43 s SER 80 CO 0.62 -0.08 0.03 0.61 0.98 0.00 0.00 173.24 175.40