#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x63 s SER 2 N 0.00 0.65 0.12 1.61 0.01 -1.26 -5.06 113.70 109.77 1x63 s SER 2 Ca 0.00 -1.44 -0.23 0.00 1.31 0.00 0.00 55.95 55.59 1x63 s SER 2 Cb 0.00 0.35 -0.06 0.00 0.21 0.00 0.00 66.02 66.52 1x63 s SER 2 CO 0.00 -0.84 1.67 0.28 0.41 0.00 0.00 173.24 174.77 1x63 h SER 3 N 2.49 -0.44 -2.20 2.44 0.02 -2.13 -3.49 113.55 110.23 1x63 h SER 3 Ca -0.35 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1x63 h SER 3 Cb 1.25 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.98 1x63 h SER 3 CO 0.53 -0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1x63 n GLY 4 N -1.28 -1.88 2.73 -3.77 0.00 -1.26 -5.04 105.19 94.68 1x63 n GLY 4 Ca -0.05 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 1x63 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x63 s SER 5 N 0.00 3.63 0.18 1.61 0.01 -1.26 -4.99 113.70 112.88 1x63 s SER 5 Ca 0.00 -3.32 -0.23 0.00 1.31 0.00 0.00 55.95 53.71 1x63 s SER 5 Cb 0.00 -1.18 0.07 0.00 0.21 0.00 0.00 66.02 65.11 1x63 s SER 5 CO 0.00 -0.16 1.41 -1.20 0.41 0.00 0.00 173.24 173.71 1x63 n SER 6 N 2.62 -0.80 0.00 2.44 7.64 -1.26 -4.71 113.62 119.55 1x63 n SER 6 Ca 0.19 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.68 1x63 n SER 6 Cb 0.38 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1x63 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x63 n GLY 7 N -1.32 1.01 3.34 0.23 0.00 -1.26 -5.19 105.19 102.00 1x63 n GLY 7 Ca 0.05 0.55 -0.19 0.00 0.00 0.00 0.00 46.02 46.43 1x63 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x63 s LYS 8 N 0.00 1.66 0.70 1.61 -0.14 -1.26 -5.15 119.74 117.16 1x63 s LYS 8 Ca 0.00 -1.96 -0.14 0.00 -1.36 0.00 0.00 55.97 52.51 1x63 s LYS 8 Cb 0.00 -0.03 0.02 0.00 -1.68 0.00 0.00 37.83 36.14 1x63 s LYS 8 CO 0.00 -0.51 1.13 0.00 -0.76 0.00 0.00 175.35 175.22 1x63 s THR 10 N -2.32 5.32 -0.45 0.00 -1.32 -1.26 -5.07 115.64 110.54 1x63 s THR 10 Ca 0.68 -0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.97 1x63 s THR 10 Cb -0.22 -3.38 0.04 0.00 -1.51 0.00 0.00 72.50 67.42 1x63 s THR 10 CO 0.44 0.50 0.53 0.42 -2.21 0.00 0.00 174.62 174.30 1x63 s THR 11 N -1.13 4.98 -0.34 5.08 -4.23 -1.26 -4.94 115.64 113.80 1x63 s THR 11 Ca 0.20 -0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 60.34 1x63 s THR 11 Cb -0.12 -4.15 0.19 0.00 1.34 0.00 0.00 72.50 69.75 1x63 s THR 11 CO 0.10 -0.58 2.17 -2.11 -0.54 0.00 0.00 174.62 173.65 1x63 n ARG 12 N 5.87 1.93 -3.73 3.99 1.85 -1.26 -4.66 116.66 120.65 1x63 n ARG 12 Ca -0.06 -1.73 -0.28 0.00 -1.00 0.00 0.00 57.85 54.78 1x63 n ARG 12 Cb 0.47 -1.72 -0.12 0.00 -1.05 0.00 0.00 32.46 30.04 1x63 n ARG 12 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1x63 s GLU 13 N -1.81 1.86 -0.59 2.89 2.12 -1.26 -4.94 118.70 116.97 1x63 s GLU 13 Ca 0.37 -2.82 -0.00 0.00 0.36 0.00 0.00 54.97 52.88 1x63 s GLU 13 Cb 0.27 -2.70 0.45 0.00 0.26 0.00 0.00 34.13 32.41 1x63 s GLU 13 CO -0.04 -1.30 1.85 -0.40 -0.54 0.00 0.00 175.26 174.83 1x63 n ASP 14 N 2.43 7.10 -3.91 -1.70 5.75 -1.26 -4.95 116.55 120.01 1x63 n ASP 14 Ca 0.21 -3.78 -0.11 0.00 -0.01 0.00 0.00 54.79 51.10 1x63 n ASP 14 Cb 0.39 -0.84 -0.12 0.00 -1.03 0.00 0.00 41.12 39.52 1x63 n ASP 14 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1x63 s SER 15 N -2.21 0.09 -0.49 -1.12 0.01 -1.26 -5.11 113.70 103.60 1x63 s SER 15 Ca 0.62 -0.22 -0.27 0.00 1.31 0.00 0.00 55.95 57.39 1x63 s SER 15 Cb 0.49 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.83 1x63 s SER 15 CO -0.00 -0.22 1.79 -2.16 0.41 0.00 0.00 173.24 173.06 1x63 s PRO 16 N -0.92 2.98 0.38 12.44 0.04 -1.19 -4.78 135.00 143.95 1x63 s PRO 16 Ca -0.10 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 61.62 1x63 s PRO 16 Cb -0.06 -4.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.11 1x63 s PRO 16 CO -0.00 -2.30 1.04 0.15 0.04 0.00 0.00 177.00 175.93 1x63 s LYS 17 N 6.33 4.26 0.69 4.56 -0.14 -1.26 0.61 119.74 134.78 1x63 s LYS 17 Ca 0.71 1.52 -0.09 0.00 -1.36 0.00 0.00 55.97 56.75 1x63 s LYS 17 Cb -0.16 -2.63 0.03 0.00 -1.68 0.00 0.00 37.83 33.39 1x63 s LYS 17 CO 0.26 -0.06 1.03 0.00 -0.76 0.00 0.00 175.35 175.83 1x63 n LYS 19 N -2.91 1.07 0.25 0.00 3.00 -1.22 -3.67 118.16 114.68 1x63 n LYS 19 Ca 0.07 0.04 -0.13 0.00 -0.00 0.00 0.00 58.31 58.28 1x63 n LYS 19 Cb 0.59 -1.22 -0.07 0.00 0.00 0.00 0.00 35.03 34.32 1x63 n LYS 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1x63 h GLY 20 N 1.13 -0.70 0.51 3.14 0.00 -1.93 -3.34 103.07 101.89 1x63 h GLY 20 Ca -0.24 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1x63 h GLY 20 CO -0.02 -0.25 -1.42 0.00 0.00 0.00 0.00 176.54 174.85 1x63 n PHE 22 N -2.38 -1.08 -4.93 0.00 3.72 -1.24 -5.03 117.46 106.52 1x63 n PHE 22 Ca -0.01 0.30 -0.33 0.00 -0.05 0.00 0.00 57.45 57.37 1x63 n PHE 22 Cb 0.54 -2.86 -0.14 0.00 -0.94 0.00 0.00 39.48 36.08 1x63 n PHE 22 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1x63 s LYS 23 N -5.20 2.72 0.11 -1.08 1.02 -1.26 -4.75 119.74 111.29 1x63 s LYS 23 Ca 0.18 -0.73 -0.36 0.00 0.02 0.00 0.00 55.97 55.08 1x63 s LYS 23 Cb -0.08 -2.40 -0.16 0.00 -0.52 0.00 0.00 37.83 34.67 1x63 s LYS 23 CO 0.22 0.48 1.33 0.00 -0.92 0.00 0.00 175.35 176.46 1x63 n ALA 24 N 2.72 -0.71 -2.70 5.17 0.00 -1.26 -1.79 120.51 121.93 1x63 n ALA 24 Ca -0.17 0.50 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 1x63 n ALA 24 Cb 0.52 -2.09 -0.08 0.00 0.00 0.00 0.00 19.45 17.80 1x63 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x63 s ILE 25 N 0.41 4.23 0.56 0.00 1.01 0.20 -4.84 121.20 122.76 1x63 s ILE 25 Ca 0.82 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.85 1x63 s ILE 25 Cb -0.91 -2.93 0.05 0.00 0.01 0.00 0.00 42.46 38.68 1x63 s ILE 25 CO 0.47 0.30 0.43 0.68 0.00 0.00 0.00 174.94 176.82 1x63 s VAL 26 N -1.17 1.61 -0.01 2.92 -7.23 -1.26 -3.16 120.40 112.09 1x63 s VAL 26 Ca 0.22 -1.47 -0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1x63 s VAL 26 Cb -0.12 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.74 1x63 s VAL 26 CO 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 175.10 174.92 1x63 h ALA 27 N 0.69 0.00 -0.89 1.32 0.00 -2.00 -3.35 119.26 115.03 1x63 h ALA 27 Ca -0.36 -0.04 0.32 0.00 0.00 0.00 0.00 54.91 54.83 1x63 h ALA 27 Cb 1.30 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1x63 h ALA 27 CO 0.56 0.01 0.55 0.41 0.00 0.00 0.00 179.25 180.78 1x63 n GLY 28 N 1.93 -0.57 3.78 0.00 0.00 -1.26 -4.28 105.19 104.79 1x63 n GLY 28 Ca -0.00 0.54 -0.36 0.00 0.00 0.00 0.00 46.02 46.20 1x63 n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x63 s ASP 29 N -4.45 6.43 -0.21 1.61 2.15 -1.26 -4.99 116.67 115.96 1x63 s ASP 29 Ca -0.05 2.10 -0.29 0.00 0.43 0.00 0.00 52.55 54.73 1x63 s ASP 29 Cb 0.22 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1x63 s ASP 29 CO 0.56 -0.72 1.10 -1.10 -0.17 0.00 0.00 175.17 174.84 1x63 s GLN 30 N -2.76 4.26 0.29 4.34 1.11 -1.26 -4.87 119.66 120.76 1x63 s GLN 30 Ca 0.62 1.44 -0.01 0.00 0.01 0.00 0.00 55.36 57.43 1x63 s GLN 30 Cb -0.23 -3.67 -0.02 0.00 -1.01 0.00 0.00 33.01 28.09 1x63 s GLN 30 CO 0.28 -0.64 0.34 -0.80 0.01 0.00 0.00 175.29 174.48 1x63 s ASN 31 N 1.39 0.83 -0.35 5.90 0.01 -1.26 0.12 114.94 121.59 1x63 s ASN 31 Ca 0.47 -1.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.16 1x63 s ASN 31 Cb -0.17 0.56 0.11 0.00 0.41 0.00 0.00 41.25 42.16 1x63 s ASN 31 CO 0.09 -1.10 0.11 -0.69 -1.51 0.00 0.00 177.10 173.99 1x63 s VAL 32 N -3.54 1.44 0.21 1.60 1.01 0.25 -4.43 120.40 116.93 1x63 s VAL 32 Ca 0.34 -1.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.24 1x63 s VAL 32 Cb 0.02 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.26 1x63 s VAL 32 CO 0.19 -0.69 0.65 -0.70 0.00 0.00 0.00 175.10 174.55 1x63 s GLU 33 N 1.15 4.09 -0.20 2.72 2.12 -1.26 -1.15 118.70 126.17 1x63 s GLU 33 Ca 0.12 0.67 -0.08 0.00 0.36 0.00 0.00 54.97 56.03 1x63 s GLU 33 Cb -0.19 -2.83 0.08 0.00 0.26 0.00 0.00 34.13 31.45 1x63 s GLU 33 CO -0.15 0.39 0.44 -0.47 -0.54 0.00 0.00 175.26 174.92 1x63 s TYR 34 N -1.58 -0.77 -1.63 5.30 5.04 0.04 -4.91 117.35 118.84 1x63 s TYR 34 Ca 0.43 1.51 -0.21 0.00 -2.44 0.00 0.00 57.07 56.36 1x63 s TYR 34 Cb -0.15 0.33 0.21 0.00 0.35 0.00 0.00 41.96 42.69 1x63 s TYR 34 CO 0.20 -0.45 0.52 1.63 -1.34 0.00 0.00 175.55 176.11 1x63 n LYS 35 N 4.98 -0.90 0.00 4.97 4.76 -1.26 -1.00 118.16 129.71 1x63 n LYS 35 Ca -0.14 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1x63 n LYS 35 Cb 0.52 -4.38 0.00 0.00 -1.84 0.00 0.00 35.03 29.32 1x63 n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x63 n GLY 36 N -0.98 2.33 3.08 0.72 0.00 -1.26 -5.06 105.19 104.03 1x63 n GLY 36 Ca 0.10 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 1x63 n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x63 n THR 37 N 0.00 0.00 -3.64 2.61 -2.24 -0.17 -4.96 114.28 105.88 1x63 n THR 37 Ca 0.00 -0.11 -0.05 0.00 -2.27 0.00 0.00 64.05 61.62 1x63 n THR 37 Cb 0.00 -0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 67.69 1x63 n THR 37 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x63 s VAL 38 N -2.11 0.00 -0.12 2.28 0.11 -1.26 -0.78 120.40 118.51 1x63 s VAL 38 Ca 0.41 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.49 1x63 s VAL 38 Cb -0.06 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1x63 s VAL 38 CO 0.45 0.00 -0.20 0.26 -3.33 0.00 0.00 175.10 172.28 1x63 s TRP 39 N 0.86 2.43 0.23 1.54 0.51 -0.30 -3.46 118.94 120.75 1x63 s TRP 39 Ca -0.04 -1.18 -0.30 0.00 -2.12 0.00 0.00 56.10 52.47 1x63 s TRP 39 Cb -0.04 -1.68 -0.15 0.00 -0.81 0.00 0.00 33.47 30.79 1x63 s TRP 39 CO -0.12 -0.54 0.91 0.72 -0.51 0.00 0.00 176.95 177.41 1x63 n HIS 40 N 4.03 0.76 -0.39 -1.98 8.25 -1.26 -0.59 115.22 124.04 1x63 n HIS 40 Ca -0.20 0.79 0.35 0.00 -0.26 0.00 0.00 57.72 58.40 1x63 n HIS 40 Cb 0.52 -2.17 0.54 0.00 1.12 0.00 0.00 29.99 30.00 1x63 n HIS 40 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1x63 n LYS 41 N 1.06 0.01 -0.08 -0.41 4.81 0.12 0.24 118.16 123.91 1x63 n LYS 41 Ca 0.14 0.94 -0.14 0.00 -0.87 0.00 0.00 58.31 58.37 1x63 n LYS 41 Cb 0.27 -2.26 -0.14 0.00 0.02 0.00 0.00 35.03 32.92 1x63 n LYS 41 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1x63 n ASP 42 N -3.33 1.08 -0.05 3.14 5.75 -1.26 -3.28 116.55 118.59 1x63 n ASP 42 Ca 0.29 0.04 -0.12 0.00 -0.01 0.00 0.00 54.79 55.00 1x63 n ASP 42 Cb 1.57 0.12 -0.06 0.00 -1.03 0.00 0.00 41.12 41.72 1x63 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x63 n PHE 44 N -4.72 1.49 -4.40 0.00 7.35 0.79 -4.86 117.46 113.11 1x63 n PHE 44 Ca -0.05 0.16 -0.20 0.00 -0.76 0.00 0.00 57.45 56.60 1x63 n PHE 44 Cb 0.24 -2.58 -0.10 0.00 0.35 0.00 0.00 39.48 37.38 1x63 n PHE 44 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1x63 s THR 45 N 9.26 1.41 0.69 -2.13 -4.23 -1.26 0.36 115.64 119.74 1x63 s THR 45 Ca 1.08 -2.08 -0.10 0.00 -1.18 0.00 0.00 61.69 59.41 1x63 s THR 45 Cb -0.60 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 70.81 1x63 s THR 45 CO 0.39 -0.27 1.05 0.00 -0.54 0.00 0.00 174.62 175.25 1x63 n SER 47 N -2.95 0.59 -0.04 0.00 7.64 -0.69 -3.39 113.62 114.78 1x63 n SER 47 Ca 0.07 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.92 1x63 n SER 47 Cb 0.58 1.60 -0.01 0.00 -1.01 0.00 0.00 64.21 65.37 1x63 n SER 47 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x63 n ASN 48 N -2.32 0.97 0.09 6.43 5.15 -1.26 -4.58 115.26 119.74 1x63 n ASN 48 Ca -0.11 0.46 0.02 0.00 -0.60 0.00 0.00 54.58 54.35 1x63 n ASN 48 Cb 0.68 -0.70 -0.02 0.00 -0.53 0.00 0.00 39.78 39.20 1x63 n ASN 48 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x63 n LYS 50 N -3.06 -4.71 -4.38 0.00 4.76 -1.22 -4.97 118.16 104.59 1x63 n LYS 50 Ca -0.03 0.58 -0.34 0.00 -2.87 0.00 0.00 58.31 55.65 1x63 n LYS 50 Cb 0.77 -4.81 -0.15 0.00 -1.84 0.00 0.00 35.03 29.01 1x63 n LYS 50 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1x63 s GLN 51 N -5.10 3.26 -0.48 1.97 -1.52 -1.26 -4.67 119.66 111.85 1x63 s GLN 51 Ca 0.07 -0.72 -0.44 0.00 -1.95 0.00 0.00 55.36 52.33 1x63 s GLN 51 Cb -0.03 -2.71 -0.18 0.00 -0.22 0.00 0.00 33.01 29.87 1x63 s GLN 51 CO 0.50 -0.02 2.02 0.28 -0.25 0.00 0.00 175.29 177.81 1x63 n VAL 52 N 4.20 0.03 -0.05 1.09 0.31 -1.26 -2.97 118.33 119.67 1x63 n VAL 52 Ca -0.19 -0.02 -0.21 0.00 -0.01 0.00 0.00 64.34 63.91 1x63 n VAL 52 Cb 0.51 -0.62 -0.13 0.00 -0.91 0.00 0.00 33.84 32.70 1x63 n VAL 52 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1x63 h ILE 53 N 6.52 1.06 -0.76 2.52 2.04 -0.35 -3.48 117.51 125.06 1x63 h ILE 53 Ca -0.20 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1x63 h ILE 53 Cb 1.40 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 40.07 1x63 h ILE 53 CO 1.06 0.54 0.00 0.61 0.00 0.00 0.00 178.15 180.35 1x63 n GLY 54 N 1.61 0.84 0.24 5.37 0.00 -1.08 -2.45 105.19 109.73 1x63 n GLY 54 Ca -0.26 -0.84 0.23 0.00 0.00 0.00 0.00 46.02 45.15 1x63 n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x63 n THR 55 N 0.00 -0.32 -1.04 2.61 -2.24 -1.26 -4.55 114.28 107.49 1x63 n THR 55 Ca 0.00 1.54 -0.34 0.00 -2.27 0.00 0.00 64.05 62.98 1x63 n THR 55 Cb 0.00 -2.49 0.02 0.00 -2.10 0.00 0.00 70.33 65.76 1x63 n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x63 n GLY 56 N -1.21 -3.28 3.74 3.38 0.00 -1.02 -4.84 105.19 101.96 1x63 n GLY 56 Ca 0.28 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1x63 n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x63 s SER 57 N -0.89 4.79 0.23 1.61 0.01 -1.26 -5.00 113.70 113.19 1x63 s SER 57 Ca 0.46 2.39 -0.06 0.00 1.31 0.00 0.00 55.95 60.05 1x63 s SER 57 Cb -0.35 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.26 1x63 s SER 57 CO 0.64 -1.86 0.29 0.72 0.41 0.00 0.00 173.24 173.43 1x63 s PHE 58 N -1.72 0.83 -0.32 2.43 -0.71 -1.26 -3.67 117.98 113.55 1x63 s PHE 58 Ca 0.77 -1.11 -0.01 0.00 -1.04 0.00 0.00 56.93 55.54 1x63 s PHE 58 Cb -0.31 -0.24 0.11 0.00 -1.21 0.00 0.00 43.02 41.38 1x63 s PHE 58 CO 0.38 -0.80 0.14 -0.06 -1.34 0.00 0.00 175.22 173.53 1x63 s PHE 59 N -4.06 1.22 -0.03 3.49 0.40 0.25 -4.88 117.98 114.36 1x63 s PHE 59 Ca 0.32 -1.55 -0.30 0.00 -0.60 0.00 0.00 56.93 54.80 1x63 s PHE 59 Cb 0.04 -1.40 -0.05 0.00 0.51 0.00 0.00 43.02 42.11 1x63 s PHE 59 CO 0.11 -0.85 1.47 -1.25 0.70 0.00 0.00 175.22 175.41 1x63 s PRO 60 N 1.56 4.24 -0.29 0.24 0.04 -1.26 -1.28 135.00 138.24 1x63 s PRO 60 Ca 0.11 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.18 1x63 s PRO 60 Cb -0.18 -3.72 0.06 0.00 0.04 0.00 0.00 34.50 30.70 1x63 s PRO 60 CO -0.23 -0.68 -0.04 0.15 0.04 0.00 0.00 177.00 176.24 1x63 s LYS 61 N 3.04 2.20 1.42 4.56 -0.14 -0.59 -4.95 119.74 125.28 1x63 s LYS 61 Ca 0.66 -1.41 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 1x63 s LYS 61 Cb -0.31 -3.05 0.00 0.00 -1.68 0.00 0.00 37.83 32.79 1x63 s LYS 61 CO 0.26 -0.65 0.00 0.41 -0.76 0.00 0.00 175.35 174.61 1x63 n GLY 62 N 4.48 0.22 0.00 -3.33 0.00 -1.26 -0.66 105.19 104.63 1x63 n GLY 62 Ca -0.11 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1x63 n GLY 62 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x63 n GLU 63 N 0.00 2.17 -2.18 1.61 2.13 -1.26 -5.07 120.64 118.04 1x63 n GLU 63 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 1x63 n GLU 63 Cb 0.00 -0.94 0.15 0.00 0.27 0.00 0.00 31.44 30.92 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1x63 s ASP 64 N -2.30 3.65 -0.13 4.31 1.01 0.16 -5.10 116.67 118.28 1x63 s ASP 64 Ca 0.00 0.06 -0.03 0.00 0.71 0.00 0.00 52.55 53.29 1x63 s ASP 64 Cb 0.00 -0.26 0.05 0.00 1.01 0.00 0.00 42.92 43.72 1x63 s ASP 64 CO 0.00 -2.36 0.05 -0.36 0.21 0.00 0.00 175.17 172.71 1x63 s PHE 65 N -3.59 0.53 -0.18 4.23 0.08 -1.26 -1.54 117.98 116.24 1x63 s PHE 65 Ca 0.70 -0.34 -0.07 0.00 0.12 0.00 0.00 56.93 57.34 1x63 s PHE 65 Cb -0.05 -0.78 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 1x63 s PHE 65 CO 0.49 -0.44 0.05 0.71 -0.10 0.00 0.00 175.22 175.94 1x63 s TYR 66 N 2.02 3.23 1.07 0.36 1.51 -0.40 -1.70 117.35 123.43 1x63 s TYR 66 Ca 0.02 0.03 -0.15 0.00 -1.01 0.00 0.00 57.07 55.96 1x63 s TYR 66 Cb -0.15 -2.07 0.22 0.00 -0.11 0.00 0.00 41.96 39.85 1x63 s TYR 66 CO -0.07 0.12 1.10 0.00 -1.11 0.00 0.00 175.55 175.60 1x63 h VAL 68 N -2.13 0.00 -0.26 0.00 2.07 -1.90 -1.14 116.25 112.89 1x63 h VAL 68 Ca -0.51 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1x63 h VAL 68 Cb 1.32 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1x63 h VAL 68 CO 0.50 0.00 -0.16 0.74 0.02 0.00 0.00 177.57 178.67 1x63 h THR 69 N -0.02 0.00 -0.99 2.57 2.02 -1.93 0.78 112.91 115.34 1x63 h THR 69 Ca 0.00 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.47 1x63 h THR 69 Cb 0.02 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.25 1x63 h THR 69 CO -0.01 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.95 1x63 h HIS 71 N 0.00 0.26 -0.70 0.00 2.76 0.77 0.44 115.15 118.68 1x63 h HIS 71 Ca 0.63 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.64 1x63 h HIS 71 Cb 1.34 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 30.23 1x63 h HIS 71 CO -0.45 0.76 0.20 0.93 -1.30 0.00 0.00 177.93 178.07 1x63 h GLU 72 N 0.15 1.11 0.11 5.26 5.08 0.88 0.45 114.58 127.62 1x63 h GLU 72 Ca -0.01 -0.25 -0.34 0.00 -1.00 0.00 0.00 59.36 57.76 1x63 h GLU 72 Cb 1.11 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1x63 h GLU 72 CO 0.09 0.96 -1.86 0.00 -1.00 0.00 0.00 179.01 177.21 1x63 h THR 73 N 1.04 0.77 0.46 1.13 1.03 -0.93 -2.98 112.91 113.44 1x63 h THR 73 Ca 0.22 -2.48 -0.02 0.00 -0.01 0.00 0.00 66.41 64.12 1x63 h THR 73 Cb 0.33 2.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.98 1x63 h THR 73 CO -0.00 0.82 -0.22 0.50 -0.01 0.00 0.00 175.52 176.61 1x63 h LYS 74 N 0.07 -0.59 0.00 0.00 3.64 -0.11 -3.42 116.57 116.15 1x63 h LYS 74 Ca -0.37 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1x63 h LYS 74 Cb 2.04 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 34.00 1x63 h LYS 74 CO 0.11 -0.40 -0.10 1.19 -2.27 0.00 0.00 179.45 177.99 1x63 n PHE 75 N -4.02 0.14 -0.54 1.91 3.01 -0.11 -4.98 117.46 112.86 1x63 n PHE 75 Ca -0.08 0.06 -0.29 0.00 1.01 0.00 0.00 57.45 58.15 1x63 n PHE 75 Cb 0.24 -0.30 0.21 0.00 -0.01 0.00 0.00 39.48 39.62 1x63 n PHE 75 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x63 n ALA 76 N -2.53 -3.57 -0.00 4.37 0.00 -0.04 -4.97 120.51 113.76 1x63 n ALA 76 Ca -0.01 -1.34 -0.04 0.00 0.00 0.00 0.00 53.44 52.05 1x63 n ALA 76 Cb 0.05 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 1x63 n ALA 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x63 h SER 77 N -2.54 -0.10 -2.80 0.00 0.87 -1.84 -3.36 113.55 103.78 1x63 h SER 77 Ca -0.51 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 59.95 1x63 h SER 77 Cb 1.27 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1x63 h SER 77 CO 0.37 0.45 -0.04 0.61 -0.53 0.00 0.00 176.83 177.68 1x63 n GLY 78 N 1.42 -1.66 3.72 5.77 0.00 -1.21 -4.62 105.19 108.62 1x63 n GLY 78 Ca -0.03 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1x63 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x63 s PRO 79 N -0.29 4.34 1.04 1.61 0.04 -1.26 -5.00 135.00 135.48 1x63 s PRO 79 Ca 0.00 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.94 1x63 s PRO 79 Cb 0.00 -3.26 0.14 0.00 0.04 0.00 0.00 34.50 31.42 1x63 s PRO 79 CO 0.00 -0.41 0.62 0.43 0.04 0.00 0.00 177.00 177.68 1x63 n SER 80 N 3.91 -1.52 -0.33 6.66 7.64 -1.26 -4.83 113.62 123.88 1x63 n SER 80 Ca 0.11 0.13 0.19 0.00 1.01 0.00 0.00 58.87 60.30 1x63 n SER 80 Cb 0.43 -1.22 0.42 0.00 -1.01 0.00 0.00 64.21 62.83 1x63 n SER 80 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1x63 h SER 81 N -2.03 0.60 0.00 6.43 4.64 -1.97 -3.56 113.55 117.66 1x63 h SER 81 Ca -0.50 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1x63 h SER 81 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1x63 h SER 81 CO 0.40 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.11