#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x43 s SER 2 N 0.00 4.65 0.05 1.61 0.15 -1.26 -5.11 113.70 113.80 1x43 s SER 2 Ca 0.00 -0.24 0.08 0.00 0.70 0.00 0.00 55.95 56.49 1x43 s SER 2 Cb 0.00 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.49 1x43 s SER 2 CO 0.00 0.07 -0.20 -0.44 1.20 0.00 0.00 173.24 173.88 1x43 s SER 3 N 0.94 3.70 0.35 5.45 0.01 -1.26 -5.14 113.70 117.76 1x43 s SER 3 Ca 0.00 -0.48 0.09 0.00 1.31 0.00 0.00 55.95 56.87 1x43 s SER 3 Cb -0.14 -0.54 -0.06 0.00 0.21 0.00 0.00 66.02 65.49 1x43 s SER 3 CO 0.01 0.24 0.02 -0.83 0.41 0.00 0.00 173.24 173.09 1x43 s GLY 4 N -1.52 2.14 0.19 3.44 0.00 -1.26 -5.15 107.32 105.15 1x43 s GLY 4 Ca 0.15 -2.01 0.04 0.00 0.00 0.00 0.00 44.72 42.90 1x43 s GLY 4 CO 0.05 -1.93 -0.07 -0.56 0.00 0.00 0.00 173.10 170.60 1x43 s SER 5 N -3.72 1.90 -0.17 1.64 0.01 -1.26 -5.14 113.70 106.95 1x43 s SER 5 Ca 0.35 -1.10 -0.00 0.00 1.31 0.00 0.00 55.95 56.51 1x43 s SER 5 Cb 0.01 -0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.26 1x43 s SER 5 CO 0.19 -0.39 -0.07 -0.94 0.41 0.00 0.00 173.24 172.44 1x43 s SER 6 N -3.24 2.98 0.00 2.44 1.04 -1.26 -5.03 113.70 110.63 1x43 s SER 6 Ca 0.22 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1x43 s SER 6 Cb 0.03 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1x43 s SER 6 CO 0.05 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1x43 n GLY 7 N 4.81 2.95 3.81 7.32 0.00 -1.26 -5.14 105.19 117.68 1x43 n GLY 7 Ca -0.13 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1x43 n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1x43 s LEU 8 N 0.00 3.34 0.03 0.99 0.05 -1.26 -5.07 118.68 116.77 1x43 s LEU 8 Ca 0.00 1.73 0.07 0.00 0.05 0.00 0.00 54.13 55.97 1x43 s LEU 8 Cb 0.00 -4.52 -0.03 0.00 -2.05 0.00 0.00 46.19 39.59 1x43 s LEU 8 CO 0.00 -1.29 -0.17 0.21 -0.55 0.00 0.00 176.35 174.56 1x43 s ASN 9 N -3.23 3.91 -0.22 1.48 2.47 -1.26 -5.11 114.94 112.98 1x43 s ASN 9 Ca 0.61 -0.39 -0.21 0.00 0.42 0.00 0.00 52.86 53.29 1x43 s ASN 9 Cb -0.15 -0.67 -0.02 0.00 -1.45 0.00 0.00 41.25 38.96 1x43 s ASN 9 CO 0.45 0.26 0.66 -0.62 -3.72 0.00 0.00 177.10 174.13 1x43 s ASP 10 N -1.42 6.67 -0.62 -4.21 -1.08 -1.26 -5.00 116.67 109.75 1x43 s ASP 10 Ca 0.15 0.82 -0.27 0.00 -0.52 0.00 0.00 52.55 52.74 1x43 s ASP 10 Cb -0.11 -2.36 -0.02 0.00 -1.46 0.00 0.00 42.92 38.98 1x43 s ASP 10 CO 0.05 -0.35 1.81 -0.76 0.52 0.00 0.00 175.17 176.44 1x43 s LEU 11 N 2.28 3.28 -0.22 -1.34 1.43 -1.26 -4.96 118.68 117.90 1x43 s LEU 11 Ca 0.29 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.65 1x43 s LEU 11 Cb -0.16 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1x43 s LEU 11 CO 0.09 -2.31 -0.06 -0.75 0.23 0.00 0.00 176.35 173.55 1x43 s LYS 12 N 6.89 3.24 -0.23 1.70 2.47 -1.26 -4.99 119.74 127.56 1x43 s LYS 12 Ca 0.65 -0.71 -0.01 0.00 -1.56 0.00 0.00 55.97 54.34 1x43 s LYS 12 Cb -0.12 -2.96 0.13 0.00 -1.46 0.00 0.00 37.83 33.42 1x43 s LYS 12 CO 0.20 -0.23 2.12 0.39 0.16 0.00 0.00 175.35 177.99 1x43 n GLU 13 N 4.76 1.64 -0.21 4.03 1.02 -1.26 -4.67 120.64 125.96 1x43 n GLU 13 Ca -0.18 -1.19 -0.10 0.00 -0.02 0.00 0.00 57.16 55.67 1x43 n GLU 13 Cb 0.50 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.34 1x43 n GLU 13 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1x43 h SER 14 N 1.51 -1.55 -2.26 1.62 0.02 -2.00 -3.41 113.55 107.47 1x43 h SER 14 Ca 0.22 0.22 -0.45 0.00 -0.84 0.00 0.00 61.79 60.94 1x43 h SER 14 Cb 0.94 0.66 0.01 0.00 0.14 0.00 0.00 62.40 64.15 1x43 h SER 14 CO 0.55 -0.25 -0.26 -0.44 -1.14 0.00 0.00 176.83 175.30 1x43 s SER 15 N -4.71 6.00 0.75 3.07 0.01 -1.26 -5.08 113.70 112.48 1x43 s SER 15 Ca -0.10 0.06 -0.14 0.00 1.31 0.00 0.00 55.95 57.09 1x43 s SER 15 Cb 0.07 -1.49 0.05 0.00 0.21 0.00 0.00 66.02 64.86 1x43 s SER 15 CO 0.48 -0.46 1.17 0.20 0.41 0.00 0.00 173.24 175.03 1x43 s ASN 16 N -4.15 4.19 0.17 2.44 0.01 -1.26 -5.04 114.94 111.29 1x43 s ASN 16 Ca 0.44 2.21 -0.24 0.00 -0.71 0.00 0.00 52.86 54.56 1x43 s ASN 16 Cb -0.10 -2.57 0.06 0.00 0.41 0.00 0.00 41.25 39.05 1x43 s ASN 16 CO 0.34 -2.26 0.90 0.54 -1.51 0.00 0.00 177.10 175.11 1x43 s ASN 17 N -2.37 -0.22 0.38 -1.22 4.22 -1.26 -5.02 114.94 109.45 1x43 s ASN 17 Ca 0.70 -0.40 0.05 0.00 -2.14 0.00 0.00 52.86 51.07 1x43 s ASN 17 Cb -0.25 0.53 -0.06 0.00 1.28 0.00 0.00 41.25 42.74 1x43 s ASN 17 CO 0.48 -0.97 0.04 -0.13 -2.04 0.00 0.00 177.10 174.48 1x43 s ARG 18 N -3.40 1.83 -0.02 3.55 1.81 -0.13 -4.99 118.95 117.61 1x43 s ARG 18 Ca 0.11 -2.05 0.03 0.00 -1.72 0.00 0.00 55.73 52.10 1x43 s ARG 18 Cb -0.02 -1.19 -0.00 0.00 -0.45 0.00 0.00 34.95 33.28 1x43 s ARG 18 CO 0.02 -0.17 -0.10 0.15 -0.68 0.00 0.00 175.30 174.52 1x43 s LYS 19 N -3.81 0.93 -0.04 3.54 -0.14 -1.26 -1.08 119.74 117.88 1x43 s LYS 19 Ca 0.32 -0.35 -0.09 0.00 -1.36 0.00 0.00 55.97 54.50 1x43 s LYS 19 Cb 0.08 -0.88 0.01 0.00 -1.68 0.00 0.00 37.83 35.37 1x43 s LYS 19 CO 0.15 0.18 0.20 0.00 -0.76 0.00 0.00 175.35 175.12 1x43 s ALA 20 N -0.05 -0.50 -0.14 5.17 0.00 -1.16 -3.32 121.76 121.77 1x43 s ALA 20 Ca 0.01 0.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 1x43 s ALA 20 Cb -0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1x43 s ALA 20 CO 0.00 -0.17 0.35 0.50 0.00 0.00 0.00 175.76 176.43 1x43 s ARG 21 N -0.72 4.25 0.22 0.00 3.52 -1.23 -2.66 118.95 122.33 1x43 s ARG 21 Ca -0.08 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 1x43 s ARG 21 Cb -0.05 -3.42 -0.08 0.00 -1.56 0.00 0.00 34.95 29.84 1x43 s ARG 21 CO 0.01 0.24 1.15 0.08 -0.81 0.00 0.00 175.30 175.98 1x43 s VAL 22 N 0.42 3.59 -0.12 7.11 1.01 0.86 -1.51 120.40 131.75 1x43 s VAL 22 Ca 0.19 1.43 0.18 0.00 0.00 0.00 0.00 61.98 63.78 1x43 s VAL 22 Cb -0.14 -3.91 -0.22 0.00 0.00 0.00 0.00 36.38 32.12 1x43 s VAL 22 CO 0.06 0.27 0.50 0.18 0.00 0.00 0.00 175.10 176.11 1x43 n LEU 23 N 2.03 0.43 -3.76 3.92 4.77 0.41 -2.26 117.00 122.53 1x43 n LEU 23 Ca 0.02 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 1x43 n LEU 23 Cb 0.45 0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.66 1x43 n LEU 23 CO 0.55 0.26 0.01 -0.31 -1.33 0.00 0.00 177.39 176.57 1x43 s TYR 24 N -2.85 -0.20 -0.26 -1.77 1.51 -1.26 -4.70 117.35 107.82 1x43 s TYR 24 Ca -0.06 0.34 -0.29 0.00 -1.01 0.00 0.00 57.07 56.05 1x43 s TYR 24 Cb 0.09 0.10 -0.02 0.00 -0.11 0.00 0.00 41.96 42.01 1x43 s TYR 24 CO 0.84 -0.35 1.55 0.16 -1.11 0.00 0.00 175.55 176.63 1x43 s ASP 25 N -1.11 6.40 0.19 2.29 1.47 -1.26 -4.40 116.67 120.25 1x43 s ASP 25 Ca -0.12 1.46 -0.00 0.00 1.18 0.00 0.00 52.55 55.07 1x43 s ASP 25 Cb -0.05 -2.53 -0.04 0.00 -0.34 0.00 0.00 42.92 39.96 1x43 s ASP 25 CO 0.04 -1.27 0.37 -0.47 0.68 0.00 0.00 175.17 174.52 1x43 s TYR 26 N 5.17 3.48 -0.26 2.11 5.04 0.26 -4.90 117.35 128.25 1x43 s TYR 26 Ca 0.68 0.31 0.02 0.00 -2.44 0.00 0.00 57.07 55.64 1x43 s TYR 26 Cb -0.22 -1.83 0.07 0.00 0.35 0.00 0.00 41.96 40.33 1x43 s TYR 26 CO 0.29 0.41 -0.05 0.34 -1.34 0.00 0.00 175.55 175.19 1x43 s ASP 27 N -3.14 4.21 0.23 4.32 -1.08 -1.26 -0.95 116.67 119.00 1x43 s ASP 27 Ca 0.38 -1.42 -0.32 0.00 -0.52 0.00 0.00 52.55 50.67 1x43 s ASP 27 Cb -0.11 -1.36 -0.13 0.00 -1.46 0.00 0.00 42.92 39.86 1x43 s ASP 27 CO 0.29 -0.25 1.55 0.00 0.52 0.00 0.00 175.17 177.28 1x43 n ALA 28 N 4.53 1.82 0.00 3.66 0.00 -1.26 -4.90 120.51 124.37 1x43 n ALA 28 Ca -0.10 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.65 1x43 n ALA 28 Cb 0.43 -2.38 -0.14 0.00 0.00 0.00 0.00 19.45 17.36 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 5.17 0.64 -2.30 0.00 0.00 -1.92 -3.47 119.26 117.37 1x43 h ALA 29 Ca -0.45 -1.33 -0.23 0.00 0.00 0.00 0.00 54.91 52.90 1x43 h ALA 29 Cb 1.25 0.36 -0.15 0.00 0.00 0.00 0.00 17.79 19.25 1x43 h ALA 29 CO 0.83 1.48 -0.67 0.54 0.00 0.00 0.00 179.25 181.43 1x43 s ASN 30 N -6.32 0.89 0.15 0.00 6.03 -1.26 -5.04 114.94 109.38 1x43 s ASN 30 Ca -0.05 -1.12 -0.31 0.00 -1.03 0.00 0.00 52.86 50.36 1x43 s ASN 30 Cb 0.08 0.16 -0.06 0.00 -3.03 0.00 0.00 41.25 38.41 1x43 s ASN 30 CO 0.82 -0.59 1.55 -1.28 -2.03 0.00 0.00 177.10 175.58 1x43 h SER 31 N 2.86 -1.82 -1.40 3.54 0.87 -1.99 0.36 113.55 115.97 1x43 h SER 31 Ca -0.36 0.26 0.47 0.00 -1.23 0.00 0.00 61.79 60.94 1x43 h SER 31 Cb 1.19 0.78 -0.13 0.00 -0.44 0.00 0.00 62.40 63.79 1x43 h SER 31 CO 0.63 -0.36 0.91 0.71 -0.53 0.00 0.00 176.83 178.19 1x43 h THR 32 N -0.28 0.03 -3.51 2.23 1.35 -1.97 -3.39 112.91 107.37 1x43 h THR 32 Ca 0.12 -0.01 -0.52 0.00 -0.55 0.00 0.00 66.41 65.46 1x43 h THR 32 Cb 0.56 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.96 1x43 h THR 32 CO -0.69 0.00 -0.03 -1.61 -0.25 0.00 0.00 175.52 172.95 1x43 s GLU 33 N -5.25 3.82 0.11 4.72 2.02 0.13 0.91 118.70 125.15 1x43 s GLU 33 Ca -0.07 0.36 0.10 0.00 0.02 0.00 0.00 54.97 55.37 1x43 s GLU 33 Cb 0.31 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 1x43 s GLU 33 CO 0.83 0.20 -0.25 -0.51 0.02 0.00 0.00 175.26 175.54 1x43 s LEU 34 N -3.17 2.29 0.35 1.80 1.43 -1.10 -4.68 118.68 115.60 1x43 s LEU 34 Ca 0.49 -0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 52.64 1x43 s LEU 34 Cb -0.11 -1.15 -0.10 0.00 0.03 0.00 0.00 46.19 44.86 1x43 s LEU 34 CO 0.24 0.17 0.95 -0.44 0.23 0.00 0.00 176.35 177.49 1x43 s SER 35 N -1.87 7.22 0.08 2.29 0.01 -1.26 -4.03 113.70 116.14 1x43 s SER 35 Ca 0.12 1.81 0.06 0.00 1.31 0.00 0.00 55.95 59.25 1x43 s SER 35 Cb -0.10 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 1x43 s SER 35 CO 0.05 -0.15 -0.17 -0.76 0.41 0.00 0.00 173.24 172.62 1x43 s LEU 36 N -2.34 2.27 0.28 2.44 1.43 -0.12 -4.93 118.68 117.70 1x43 s LEU 36 Ca 0.53 -0.62 0.09 0.00 -1.03 0.00 0.00 54.13 53.10 1x43 s LEU 36 Cb -0.16 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1x43 s LEU 36 CO 0.21 -0.01 0.04 -0.76 0.23 0.00 0.00 176.35 176.06 1x43 s LEU 37 N -1.72 3.27 0.02 1.79 1.43 -1.26 0.90 118.68 123.11 1x43 s LEU 37 Ca 0.01 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 1x43 s LEU 37 Cb -0.10 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1x43 s LEU 37 CO 0.03 -0.05 0.95 0.00 0.23 0.00 0.00 176.35 177.51 1x43 s ALA 38 N -2.32 3.20 -0.34 4.21 0.00 -1.26 -3.68 121.76 121.57 1x43 s ALA 38 Ca 0.32 0.51 -0.02 0.00 0.00 0.00 0.00 51.96 52.77 1x43 s ALA 38 Cb -0.06 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1x43 s ALA 38 CO 0.21 -0.16 0.30 -0.25 0.00 0.00 0.00 175.76 175.85 1x43 n ASP 39 N 3.60 -3.10 -3.93 0.00 8.00 -0.96 -4.95 116.55 115.21 1x43 n ASP 39 Ca 0.04 -0.13 -0.18 0.00 0.71 0.00 0.00 54.79 55.23 1x43 n ASP 39 Cb 0.51 -1.63 -0.15 0.00 -0.02 0.00 0.00 41.12 39.82 1x43 n ASP 39 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1x43 s GLU 40 N -5.33 0.67 -0.21 -1.24 -1.05 -1.24 -4.93 118.70 105.36 1x43 s GLU 40 Ca 0.15 -0.16 -0.05 0.00 -0.15 0.00 0.00 54.97 54.76 1x43 s GLU 40 Cb -0.06 -0.67 -0.02 0.00 -0.44 0.00 0.00 34.13 32.94 1x43 s GLU 40 CO 0.18 0.03 -0.02 0.08 0.95 0.00 0.00 175.26 176.48 1x43 s VAL 41 N 0.39 3.69 0.47 1.83 1.01 -1.26 -0.10 120.40 126.42 1x43 s VAL 41 Ca -0.05 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1x43 s VAL 41 Cb -0.09 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1x43 s VAL 41 CO -0.00 0.42 0.02 0.27 0.00 0.00 0.00 175.10 175.81 1x43 s ILE 42 N 1.28 1.29 -0.26 2.22 -4.36 -1.09 -4.93 121.20 115.35 1x43 s ILE 42 Ca 0.04 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.20 1x43 s ILE 42 Cb -0.14 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.15 1x43 s ILE 42 CO -0.00 0.00 0.76 -0.89 0.24 0.00 0.00 174.94 175.05 1x43 s THR 43 N -2.90 4.87 0.06 8.37 2.01 -1.26 -2.98 115.64 123.81 1x43 s THR 43 Ca 0.16 1.33 0.08 0.00 0.31 0.00 0.00 61.69 63.58 1x43 s THR 43 Cb 0.04 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1x43 s THR 43 CO 0.08 -0.09 -0.22 0.68 -0.69 0.00 0.00 174.62 174.38 1x43 s VAL 44 N 2.78 2.52 -0.13 3.82 -7.23 -0.24 -1.91 120.40 120.00 1x43 s VAL 44 Ca 0.32 -1.34 -0.21 0.00 -1.81 0.00 0.00 61.98 58.94 1x43 s VAL 44 Cb -0.15 -2.05 0.05 0.00 0.56 0.00 0.00 36.38 34.79 1x43 s VAL 44 CO 0.09 0.30 0.53 0.72 -0.31 0.00 0.00 175.10 176.43 1x43 s PHE 45 N -0.91 -0.53 0.11 2.82 -0.71 -0.62 -0.95 117.98 117.19 1x43 s PHE 45 Ca 0.14 1.15 -0.25 0.00 -1.04 0.00 0.00 56.93 56.94 1x43 s PHE 45 Cb -0.10 0.23 -0.07 0.00 -1.21 0.00 0.00 43.02 41.87 1x43 s PHE 45 CO 0.05 -0.38 0.75 -1.12 -1.34 0.00 0.00 175.22 173.18 1x43 s SER 46 N -0.37 7.30 0.01 1.98 0.01 -1.26 0.83 113.70 122.19 1x43 s SER 46 Ca -0.05 1.54 0.08 0.00 1.31 0.00 0.00 55.95 58.83 1x43 s SER 46 Cb -0.03 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 1x43 s SER 46 CO 0.04 0.15 -0.25 -0.69 0.41 0.00 0.00 173.24 172.89 1x43 s VAL 47 N -0.75 2.02 0.16 3.43 1.01 -1.26 -4.96 120.40 120.05 1x43 s VAL 47 Ca 0.36 -1.19 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 1x43 s VAL 47 Cb -0.22 -1.70 -0.17 0.00 0.00 0.00 0.00 36.38 34.29 1x43 s VAL 47 CO 0.24 0.47 0.78 0.52 0.00 0.00 0.00 175.10 177.12 1x43 n VAL 48 N 2.19 1.38 0.00 2.92 0.31 -1.26 -0.07 118.33 123.80 1x43 n VAL 48 Ca -0.16 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1x43 n VAL 48 Cb 0.52 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 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 1.81 1.66 3.22 2.92 0.00 -1.26 -4.98 105.19 108.57 1x43 n GLY 49 Ca 0.17 -0.06 -0.36 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 0.00 0.03 -3.20 1.61 0.00 0.90 -4.94 117.12 111.53 1x43 n MET 50 Ca 0.00 0.03 -0.32 0.00 0.00 0.00 0.00 57.70 57.41 1x43 n MET 50 Cb 0.00 -1.30 -0.05 0.00 0.00 0.00 0.00 33.22 31.86 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 -1.24 6.68 0.58 6.12 1.01 -1.26 -4.93 116.67 123.63 1x43 s ASP 51 Ca 0.52 1.12 0.38 0.00 0.71 0.00 0.00 52.55 55.28 1x43 s ASP 51 Cb -0.30 -2.31 1.84 0.00 1.01 0.00 0.00 42.92 43.16 1x43 s ASP 51 CO 0.71 -0.19 2.14 -1.28 0.21 0.00 0.00 175.17 176.76 1x43 h SER 52 N 2.21 0.00 -0.55 0.27 0.87 -1.99 -1.02 113.55 113.34 1x43 h SER 52 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1x43 h SER 52 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1x43 h SER 52 CO 0.66 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 177.43 1x43 n ASP 53 N -3.00 4.76 -3.69 6.23 8.00 -1.26 -4.84 116.55 122.75 1x43 n ASP 53 Ca -0.01 -2.61 -0.10 0.00 0.71 0.00 0.00 54.79 52.78 1x43 n ASP 53 Cb 0.18 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.57 1x43 n ASP 53 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1x43 s TRP 54 N -2.19 -0.64 0.47 1.24 0.52 -0.39 -3.03 118.94 114.93 1x43 s TRP 54 Ca 0.47 1.36 0.05 0.00 0.02 0.00 0.00 56.10 58.00 1x43 s TRP 54 Cb 0.33 0.30 -0.03 0.00 -1.15 0.00 0.00 33.47 32.92 1x43 s TRP 54 CO 0.18 -0.36 0.15 -0.51 0.02 0.00 0.00 176.95 176.43 1x43 s LEU 55 N 1.41 2.76 -0.57 2.99 1.43 0.75 -4.18 118.68 123.28 1x43 s LEU 55 Ca -0.10 -1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 51.50 1x43 s LEU 55 Cb -0.08 -1.11 0.10 0.00 0.03 0.00 0.00 46.19 45.13 1x43 s LEU 55 CO -0.13 -0.73 0.65 -0.32 0.23 0.00 0.00 176.35 176.04 1x43 s MET 56 N -3.95 3.04 0.22 1.70 1.75 0.24 -0.13 119.30 122.18 1x43 s MET 56 Ca 0.29 -1.32 -0.13 0.00 -1.25 0.00 0.00 55.69 53.28 1x43 s MET 56 Cb 0.03 -4.24 -0.07 0.00 2.84 0.00 0.00 34.83 33.38 1x43 s MET 56 CO 0.16 -1.45 0.59 0.20 -0.65 0.00 0.00 175.02 173.87 1x43 s GLY 57 N 3.45 2.37 -0.19 2.11 0.00 0.39 -1.58 107.32 113.87 1x43 s GLY 57 Ca 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 44.72 44.65 1x43 s GLY 57 CO 0.07 0.07 0.05 1.85 0.00 0.00 0.00 173.10 175.13 1x43 s GLU 58 N -2.50 0.51 -0.20 2.90 2.12 -0.80 -1.86 118.70 118.87 1x43 s GLU 58 Ca 0.45 -0.36 -0.01 0.00 0.36 0.00 0.00 54.97 55.41 1x43 s GLU 58 Cb -0.13 -2.04 0.01 0.00 0.26 0.00 0.00 34.13 32.23 1x43 s GLU 58 CO 0.20 -0.66 -0.13 0.50 -0.54 0.00 0.00 175.26 174.63 1x43 s ARG 59 N 1.92 3.16 3.57 4.30 3.52 -1.06 -4.06 118.95 130.30 1x43 s ARG 59 Ca -0.00 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1x43 s ARG 59 Cb -0.17 -2.78 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 1x43 s ARG 59 CO -0.09 -0.21 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 1x43 n GLY 60 N 4.70 0.74 2.07 8.12 0.00 -1.26 -0.90 105.19 118.67 1x43 n GLY 60 Ca -0.20 0.62 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 7.94 4.57 -4.22 1.61 3.02 -1.26 -4.97 115.26 121.96 1x43 n ASN 61 Ca 0.00 -3.60 -0.13 0.00 -0.03 0.00 0.00 54.58 50.83 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 -3.61 1.12 -0.09 3.52 -0.21 -0.07 -5.17 119.66 115.14 1x43 s GLN 62 Ca 0.49 -1.56 -0.19 0.00 0.02 0.00 0.00 55.36 54.12 1x43 s GLN 62 Cb 0.40 -0.00 0.04 0.00 1.00 0.00 0.00 33.01 34.45 1x43 s GLN 62 CO 0.03 -0.25 0.45 0.15 -2.12 0.00 0.00 175.29 173.55 1x43 s LYS 63 N -4.02 0.69 0.00 2.91 1.02 -1.26 -2.58 119.74 116.50 1x43 s LYS 63 Ca 0.29 0.26 -0.00 0.00 0.02 0.00 0.00 55.97 56.54 1x43 s LYS 63 Cb 0.07 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 1x43 s LYS 63 CO 0.06 -0.16 0.01 0.41 -0.92 0.00 0.00 175.35 174.75 1x43 n GLY 64 N 1.87 0.74 3.85 -3.33 0.00 -0.78 -4.80 105.19 102.73 1x43 n GLY 64 Ca -0.18 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.00 3.85 -0.04 1.61 1.02 0.26 -0.46 119.74 123.98 1x43 s LYS 65 Ca 0.00 0.33 0.03 0.00 0.02 0.00 0.00 55.97 56.35 1x43 s LYS 65 Cb -0.00 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1x43 s LYS 65 CO 0.00 0.67 -0.13 0.14 -0.92 0.00 0.00 175.35 175.11 1x43 s VAL 66 N -1.14 1.16 -0.16 3.17 -7.23 0.82 -2.71 120.40 114.31 1x43 s VAL 66 Ca 0.25 -0.55 -0.29 0.00 -1.81 0.00 0.00 61.98 59.58 1x43 s VAL 66 Cb -0.16 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 1x43 s VAL 66 CO 0.14 0.35 1.57 -2.16 -0.31 0.00 0.00 175.10 174.68 1x43 s PRO 67 N 0.22 3.98 0.44 4.82 0.04 -1.26 -0.18 135.00 143.07 1x43 s PRO 67 Ca -0.06 1.82 0.12 0.00 0.04 0.00 0.00 61.00 62.92 1x43 s PRO 67 Cb -0.11 -3.98 1.03 0.00 0.04 0.00 0.00 34.50 31.47 1x43 s PRO 67 CO 0.02 -1.07 2.03 0.82 0.04 0.00 0.00 177.00 178.84 1x43 h ILE 68 N 5.87 0.97 -0.10 0.56 5.03 -1.86 -0.37 117.51 127.61 1x43 h ILE 68 Ca -0.34 -0.13 0.03 0.00 -0.12 0.00 0.00 64.86 64.30 1x43 h ILE 68 Cb 1.15 0.56 -0.00 0.00 -3.03 0.00 0.00 36.82 35.50 1x43 h ILE 68 CO 0.98 0.07 0.15 0.71 -0.68 0.00 0.00 178.15 179.38 1x43 h THR 69 N 0.38 0.36 0.00 -0.27 1.35 -1.90 0.16 112.91 112.98 1x43 h THR 69 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1x43 h THR 69 Cb 0.29 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1x43 h THR 69 CO -0.05 0.00 -1.17 -1.22 -0.25 0.00 0.00 175.52 172.83 1x43 n TYR 70 N -3.60 0.11 -4.22 4.73 4.02 -0.17 -4.92 117.16 113.10 1x43 n TYR 70 Ca -0.00 0.03 -0.32 0.00 -0.01 0.00 0.00 57.90 57.59 1x43 n TYR 70 Cb 0.25 -0.28 -0.08 0.00 -0.02 0.00 0.00 39.34 39.20 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 -3.66 3.60 -0.64 7.72 1.43 0.54 -0.44 118.68 127.23 1x43 s LEU 71 Ca 0.03 0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1x43 s LEU 71 Cb 0.15 -2.10 0.16 0.00 0.03 0.00 0.00 46.19 44.43 1x43 s LEU 71 CO 0.84 0.27 0.44 -0.70 0.23 0.00 0.00 176.35 177.42 1x43 s GLU 72 N -1.69 2.16 -0.46 1.70 2.12 -0.57 -4.84 118.70 117.12 1x43 s GLU 72 Ca 0.21 -3.05 -0.43 0.00 0.36 0.00 0.00 54.97 52.06 1x43 s GLU 72 Cb -0.12 -3.10 -0.18 0.00 0.26 0.00 0.00 34.13 30.99 1x43 s GLU 72 CO 0.12 -1.28 1.98 1.28 -0.54 0.00 0.00 175.26 176.83 1x43 n LEU 73 N 2.27 1.18 -4.57 2.70 4.77 -1.26 -3.50 117.00 118.60 1x43 n LEU 73 Ca 0.19 0.80 -0.37 0.00 -0.03 0.00 0.00 56.01 56.60 1x43 n LEU 73 Cb 0.36 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 1x43 n LEU 73 CO 0.25 -0.75 1.57 -0.76 -1.33 0.00 0.00 177.39 176.37 1x43 s LEU 74 N 5.24 3.45 -0.19 2.23 1.43 -1.21 -4.94 118.68 124.70 1x43 s LEU 74 Ca 1.13 -1.54 -0.32 0.00 -1.03 0.00 0.00 54.13 52.38 1x43 s LEU 74 Cb -1.38 -2.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.18 1x43 s LEU 74 CO 0.68 -1.89 2.10 0.59 0.23 0.00 0.00 176.35 178.06 1x43 n ASN 75 N 10.54 3.15 -4.70 2.29 4.13 -1.26 -4.89 115.26 124.53 1x43 n ASN 75 Ca 0.40 0.53 -0.42 0.00 1.68 0.00 0.00 54.58 56.76 1x43 n ASN 75 Cb 0.48 -1.44 -0.03 0.00 -1.54 0.00 0.00 39.78 37.26 1x43 n ASN 75 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1x43 s SER 76 N 6.57 6.58 0.22 6.41 0.15 -1.26 -4.97 113.70 127.39 1x43 s SER 76 Ca 1.00 2.54 -0.23 0.00 0.70 0.00 0.00 55.95 59.96 1x43 s SER 76 Cb -0.56 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.22 1x43 s SER 76 CO 0.44 -0.88 0.78 -0.83 1.20 0.00 0.00 173.24 173.94 1x43 s GLY 77 N 2.14 -0.21 -0.40 9.45 0.00 -1.26 -5.12 107.32 111.92 1x43 s GLY 77 Ca 0.74 -0.03 -0.28 0.00 0.00 0.00 0.00 44.72 45.15 1x43 s GLY 77 CO 0.32 -0.01 1.73 2.56 0.00 0.00 0.00 173.10 177.70 1x43 s PRO 78 N -3.68 3.24 -0.32 2.90 0.04 -1.26 -4.87 135.00 131.05 1x43 s PRO 78 Ca 0.10 1.16 0.07 0.00 0.04 0.00 0.00 61.00 62.37 1x43 s PRO 78 Cb -0.04 -4.20 0.45 0.00 0.04 0.00 0.00 34.50 30.75 1x43 s PRO 78 CO 0.03 -1.98 1.17 0.45 0.04 0.00 0.00 177.00 176.70 1x43 n SER 79 N 10.50 4.69 -4.70 6.66 2.88 -1.26 -5.07 113.62 127.31 1x43 n SER 79 Ca 0.21 -3.65 -0.39 0.00 -1.33 0.00 0.00 58.87 53.70 1x43 n SER 79 Cb 0.48 -0.37 0.04 0.00 -0.75 0.00 0.00 64.21 63.60 1x43 n SER 79 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x43 n SER 80 N -0.65 2.21 0.00 -3.46 3.41 -1.26 -5.34 113.62 108.54 1x43 n SER 80 Ca 0.41 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 60.00 1x43 n SER 80 Cb 0.90 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1x43 n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49