#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 6.58 0.30 1.61 0.15 -1.26 -5.08 113.70 116.00 1x63 s SER 2 Ca 0.00 1.21 -0.02 0.00 0.70 0.00 0.00 55.95 57.84 1x63 s SER 2 Cb 0.00 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 1x63 s SER 2 CO 0.00 -0.38 0.52 -0.44 1.20 0.00 0.00 173.24 174.14 1x63 s SER 3 N -2.97 6.37 0.00 5.45 0.01 -1.26 -5.06 113.70 116.24 1x63 s SER 3 Ca 0.53 0.55 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1x63 s SER 3 Cb -0.10 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1x63 s SER 3 CO 0.29 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1x63 n GLY 4 N -1.24 2.62 3.42 3.44 0.00 -1.26 -5.07 105.19 107.11 1x63 n GLY 4 Ca -0.03 -0.32 -0.63 0.00 0.00 0.00 0.00 46.02 45.04 1x63 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x63 n SER 5 N 0.00 0.92 -3.73 1.61 2.88 -1.26 -4.90 113.62 109.14 1x63 n SER 5 Ca 0.00 0.85 -0.13 0.00 -1.33 0.00 0.00 58.87 58.25 1x63 n SER 5 Cb 0.00 -0.90 -0.10 0.00 -0.75 0.00 0.00 64.21 62.47 1x63 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x63 s SER 6 N 5.01 -0.42 0.00 -3.46 1.04 -1.26 -5.13 113.70 109.48 1x63 s SER 6 Ca 1.15 0.77 0.00 0.00 0.48 0.00 0.00 55.95 58.35 1x63 s SER 6 Cb -1.49 0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1x63 s SER 6 CO 0.71 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.36 1x63 n GLY 7 N 2.66 0.36 4.20 7.32 0.00 -1.26 -4.85 105.19 113.61 1x63 n GLY 7 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1x63 n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x63 n LYS 8 N 0.00 -3.15 -1.96 1.61 5.02 -1.26 -4.93 118.16 113.49 1x63 n LYS 8 Ca 0.00 0.37 -0.29 0.00 -2.02 0.00 0.00 58.31 56.37 1x63 n LYS 8 Cb 0.00 -5.02 0.17 0.00 -0.02 0.00 0.00 35.03 30.16 1x63 n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x63 s THR 10 N -3.80 0.00 0.12 0.00 -1.32 -1.26 -5.06 115.64 104.31 1x63 s THR 10 Ca 0.72 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.88 1x63 s THR 10 Cb -0.05 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.84 1x63 s THR 10 CO 0.52 0.00 1.58 0.71 -2.21 0.00 0.00 174.62 175.22 1x63 h THR 11 N 4.14 0.12 -3.90 5.08 1.35 -2.06 -3.42 112.91 114.22 1x63 h THR 11 Ca -0.28 0.00 -0.40 0.00 -0.55 0.00 0.00 66.41 65.18 1x63 h THR 11 Cb 1.18 0.12 -0.30 0.00 -1.73 0.00 0.00 68.15 67.43 1x63 h THR 11 CO 0.17 0.00 -0.78 0.00 -0.25 0.00 0.00 175.52 174.66 1x63 s ARG 12 N -5.87 0.79 -0.34 4.72 1.70 -1.26 -5.12 118.95 113.57 1x63 s ARG 12 Ca -0.16 -0.29 0.02 0.00 -0.47 0.00 0.00 55.73 54.84 1x63 s ARG 12 Cb 0.08 -0.76 0.10 0.00 -0.57 0.00 0.00 34.95 33.80 1x63 s ARG 12 CO 0.63 0.14 0.07 -2.00 -1.08 0.00 0.00 175.30 173.06 1x63 s GLU 13 N 0.02 1.25 -0.30 3.89 2.12 -1.26 -4.95 118.70 119.48 1x63 s GLU 13 Ca -0.00 -1.65 0.16 0.00 0.36 0.00 0.00 54.97 53.84 1x63 s GLU 13 Cb -0.06 -2.82 0.48 0.00 0.26 0.00 0.00 34.13 32.00 1x63 s GLU 13 CO -0.00 -0.96 1.10 -0.40 -0.54 0.00 0.00 175.26 174.46 1x63 n ASP 14 N 4.39 2.73 -3.96 -1.70 5.75 -1.26 -5.06 116.55 117.43 1x63 n ASP 14 Ca 0.02 -2.75 -0.15 0.00 -0.01 0.00 0.00 54.79 51.90 1x63 n ASP 14 Cb 0.42 -0.45 -0.14 0.00 -1.03 0.00 0.00 41.12 39.92 1x63 n ASP 14 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1x63 s SER 15 N -3.61 0.61 -0.60 -1.12 1.04 -1.26 -5.10 113.70 103.66 1x63 s SER 15 Ca 0.35 -0.13 -0.27 0.00 0.48 0.00 0.00 55.95 56.38 1x63 s SER 15 Cb 0.37 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1x63 s SER 15 CO -0.02 0.04 1.85 -2.16 0.98 0.00 0.00 173.24 173.93 1x63 s PRO 16 N -0.26 2.67 0.24 4.02 0.04 -1.21 -4.79 135.00 135.70 1x63 s PRO 16 Ca 0.01 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 1x63 s PRO 16 Cb -0.03 -4.38 -0.09 0.00 0.04 0.00 0.00 34.50 30.05 1x63 s PRO 16 CO -0.00 -2.68 1.13 0.15 0.04 0.00 0.00 177.00 175.63 1x63 s LYS 17 N 6.96 4.59 0.70 4.56 -0.14 -1.26 0.20 119.74 135.35 1x63 s LYS 17 Ca 0.68 1.81 -0.11 0.00 -1.36 0.00 0.00 55.97 56.99 1x63 s LYS 17 Cb -0.13 -3.22 0.02 0.00 -1.68 0.00 0.00 37.83 32.82 1x63 s LYS 17 CO 0.21 0.11 1.09 0.00 -0.76 0.00 0.00 175.35 176.00 1x63 n LYS 19 N -3.00 0.61 0.28 0.00 3.00 -1.20 -3.41 118.16 114.43 1x63 n LYS 19 Ca 0.07 0.07 -0.16 0.00 -0.00 0.00 0.00 58.31 58.28 1x63 n LYS 19 Cb 0.57 -1.27 -0.08 0.00 0.00 0.00 0.00 35.03 34.25 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 1.16 -0.70 0.00 3.14 0.00 -1.94 -3.29 103.07 101.45 1x63 h GLY 20 Ca -0.29 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1x63 h GLY 20 CO -0.04 -0.25 -1.73 0.00 0.00 0.00 0.00 176.54 174.51 1x63 n PHE 22 N -2.06 -1.37 -5.10 0.00 3.72 -1.22 -5.03 117.46 106.41 1x63 n PHE 22 Ca -0.02 0.44 -0.32 0.00 -0.05 0.00 0.00 57.45 57.50 1x63 n PHE 22 Cb 0.50 -3.09 -0.15 0.00 -0.94 0.00 0.00 39.48 35.80 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 -5.48 2.59 0.09 -1.08 1.02 -1.26 -4.77 119.74 110.85 1x63 s LYS 23 Ca 0.25 -0.82 -0.35 0.00 0.02 0.00 0.00 55.97 55.07 1x63 s LYS 23 Cb -0.11 -2.27 -0.15 0.00 -0.52 0.00 0.00 37.83 34.78 1x63 s LYS 23 CO 0.32 0.45 1.50 0.00 -0.92 0.00 0.00 175.35 176.70 1x63 n ALA 24 N 2.77 0.23 -2.82 5.17 0.00 -1.26 -1.70 120.51 122.91 1x63 n ALA 24 Ca -0.17 0.46 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 1x63 n ALA 24 Cb 0.52 -2.23 -0.07 0.00 0.00 0.00 0.00 19.45 17.67 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 1.05 4.97 0.56 0.00 1.01 0.13 -4.86 121.20 124.06 1x63 s ILE 25 Ca 0.83 -0.25 0.09 0.00 0.00 0.00 0.00 60.65 61.32 1x63 s ILE 25 Cb -0.82 -3.26 0.07 0.00 0.01 0.00 0.00 42.46 38.47 1x63 s ILE 25 CO 0.44 0.41 0.71 0.68 0.00 0.00 0.00 174.94 177.17 1x63 s VAL 26 N -1.17 2.08 -0.11 2.92 -7.23 -1.26 -3.36 120.40 112.27 1x63 s VAL 26 Ca 0.22 -1.10 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 1x63 s VAL 26 Cb -0.12 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1x63 s VAL 26 CO 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.86 1x63 h ALA 27 N 0.31 0.00 -1.21 1.32 0.00 -1.99 -3.35 119.26 114.33 1x63 h ALA 27 Ca -0.32 -0.15 0.44 0.00 0.00 0.00 0.00 54.91 54.88 1x63 h ALA 27 Cb 1.29 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 19.08 1x63 h ALA 27 CO 0.44 0.15 0.73 0.78 0.00 0.00 0.00 179.25 181.36 1x63 h GLY 28 N -0.95 1.76 -0.98 0.00 0.00 -2.05 -3.40 103.07 97.45 1x63 h GLY 28 Ca 0.00 -0.12 -0.47 0.00 0.00 0.00 0.00 47.33 46.74 1x63 h GLY 28 CO 0.00 -0.60 0.22 -0.35 0.00 0.00 0.00 176.54 175.81 1x63 s ASP 29 N -4.43 3.01 -0.43 0.19 2.15 -1.26 -5.00 116.67 110.91 1x63 s ASP 29 Ca -0.08 1.31 -0.17 0.00 0.43 0.00 0.00 52.55 54.05 1x63 s ASP 29 Cb 0.32 -1.99 0.03 0.00 -0.30 0.00 0.00 42.92 40.98 1x63 s ASP 29 CO 0.81 -2.90 0.41 -1.10 -0.17 0.00 0.00 175.17 172.21 1x63 s GLN 30 N -4.96 3.05 0.40 4.34 -1.52 -1.26 -4.94 119.66 114.76 1x63 s GLN 30 Ca 0.64 -0.92 0.04 0.00 -1.95 0.00 0.00 55.36 53.18 1x63 s GLN 30 Cb -0.18 -4.00 -0.03 0.00 -0.22 0.00 0.00 33.01 28.58 1x63 s GLN 30 CO 0.57 -0.87 0.12 0.54 -0.25 0.00 0.00 175.29 175.40 1x63 s ASN 31 N 1.93 2.73 -0.35 5.90 2.20 -1.26 0.37 114.94 126.46 1x63 s ASN 31 Ca 0.09 -1.64 0.00 0.00 -0.94 0.00 0.00 52.86 50.38 1x63 s ASN 31 Cb -0.19 0.43 0.11 0.00 -2.00 0.00 0.00 41.25 39.61 1x63 s ASN 31 CO 0.12 -0.89 0.14 -0.69 -2.94 0.00 0.00 177.10 172.84 1x63 s VAL 32 N -3.23 1.04 0.32 3.54 1.01 0.13 -4.75 120.40 118.48 1x63 s VAL 32 Ca 0.25 -1.79 -0.18 0.00 0.00 0.00 0.00 61.98 60.26 1x63 s VAL 32 Cb 0.03 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 1x63 s VAL 32 CO 0.14 -0.76 0.80 -0.70 0.00 0.00 0.00 175.10 174.59 1x63 s GLU 33 N 1.19 4.16 -0.26 2.72 2.12 -1.26 -1.22 118.70 126.14 1x63 s GLU 33 Ca 0.13 0.87 -0.01 0.00 0.36 0.00 0.00 54.97 56.31 1x63 s GLU 33 Cb -0.20 -2.50 0.14 0.00 0.26 0.00 0.00 34.13 31.83 1x63 s GLU 33 CO -0.16 0.18 0.38 -0.47 -0.54 0.00 0.00 175.26 174.65 1x63 s TYR 34 N -1.90 -0.86 -1.70 5.30 6.14 0.66 -4.92 117.35 120.08 1x63 s TYR 34 Ca 0.53 0.63 -0.16 0.00 0.64 0.00 0.00 57.07 58.71 1x63 s TYR 34 Cb -0.12 -0.06 0.15 0.00 0.42 0.00 0.00 41.96 42.35 1x63 s TYR 34 CO 0.18 -0.81 0.65 1.63 0.64 0.00 0.00 175.55 177.84 1x63 n LYS 35 N 5.36 -2.52 0.00 4.97 5.02 -1.26 -2.14 118.16 127.60 1x63 n LYS 35 Ca -0.02 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1x63 n LYS 35 Cb 0.50 -4.84 0.00 0.00 -0.02 0.00 0.00 35.03 30.66 1x63 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x63 n GLY 36 N -1.49 2.23 3.29 0.72 0.00 -1.26 -5.07 105.19 103.62 1x63 n GLY 36 Ca 0.01 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.62 2.61 -2.24 -0.91 -4.92 114.28 105.21 1x63 n THR 37 Ca 0.00 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 1x63 n THR 37 Cb 0.00 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 67.52 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 -2.25 0.00 -0.05 2.28 0.11 -1.26 -0.25 120.40 118.99 1x63 s VAL 38 Ca 0.57 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.65 1x63 s VAL 38 Cb -0.13 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1x63 s VAL 38 CO 0.66 0.00 -0.12 0.26 -3.33 0.00 0.00 175.10 172.57 1x63 s TRP 39 N 0.04 1.31 0.34 1.54 0.51 -0.36 -3.28 118.94 119.05 1x63 s TRP 39 Ca -0.00 -0.41 -0.28 0.00 -2.12 0.00 0.00 56.10 53.28 1x63 s TRP 39 Cb -0.04 -0.94 -0.12 0.00 -0.81 0.00 0.00 33.47 31.55 1x63 s TRP 39 CO -0.00 -0.20 1.32 0.72 -0.51 0.00 0.00 176.95 178.28 1x63 n HIS 40 N 3.54 2.37 -0.43 -1.98 8.25 -1.26 0.22 115.22 125.93 1x63 n HIS 40 Ca -0.21 0.53 0.39 0.00 -0.26 0.00 0.00 57.72 58.18 1x63 n HIS 40 Cb 0.53 -2.43 0.64 0.00 1.12 0.00 0.00 29.99 29.84 1x63 n HIS 40 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1x63 h LYS 41 N 2.69 0.00 0.01 -0.41 3.64 -0.38 1.73 116.57 123.86 1x63 h LYS 41 Ca -0.47 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.57 1x63 h LYS 41 Cb 1.28 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.04 1x63 h LYS 41 CO 0.63 0.00 -2.11 -0.40 -2.27 0.00 0.00 179.45 175.30 1x63 n ASP 42 N -3.62 0.59 -0.02 4.20 5.68 -1.26 -3.01 116.55 119.10 1x63 n ASP 42 Ca 0.32 0.16 -0.13 0.00 -0.50 0.00 0.00 54.79 54.65 1x63 n ASP 42 Cb 1.70 0.39 -0.09 0.00 -1.14 0.00 0.00 41.12 41.98 1x63 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1x63 n PHE 44 N -4.79 1.41 -4.58 0.00 7.35 0.66 -4.88 117.46 112.62 1x63 n PHE 44 Ca -0.08 0.16 -0.27 0.00 -0.76 0.00 0.00 57.45 56.51 1x63 n PHE 44 Cb 0.27 -2.58 -0.11 0.00 0.35 0.00 0.00 39.48 37.41 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 9.95 1.73 0.66 -2.13 -4.23 -1.26 0.12 115.64 120.47 1x63 s THR 45 Ca 1.08 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.51 1x63 s THR 45 Cb -0.54 -2.90 0.02 0.00 1.34 0.00 0.00 72.50 70.43 1x63 s THR 45 CO 0.37 0.00 0.99 0.00 -0.54 0.00 0.00 174.62 175.44 1x63 n SER 47 N -2.81 0.09 -0.02 0.00 3.41 -0.56 -3.42 113.62 110.32 1x63 n SER 47 Ca 0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.66 1x63 n SER 47 Cb 0.58 1.57 -0.00 0.00 -0.26 0.00 0.00 64.21 66.10 1x63 n SER 47 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1x63 n ASN 48 N -2.45 0.45 0.18 4.04 5.15 -1.26 -4.58 115.26 116.79 1x63 n ASN 48 Ca -0.16 0.29 0.08 0.00 -0.60 0.00 0.00 54.58 54.20 1x63 n ASN 48 Cb 0.81 -0.59 0.10 0.00 -0.53 0.00 0.00 39.78 39.57 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 -3.11 -6.39 -4.10 0.00 4.01 -1.22 -4.96 118.16 102.39 1x63 n LYS 50 Ca 0.03 0.72 -0.35 0.00 -0.51 0.00 0.00 58.31 58.19 1x63 n LYS 50 Cb 0.61 -5.39 -0.13 0.00 -0.51 0.00 0.00 35.03 29.62 1x63 n LYS 50 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1x63 s GLN 51 N -5.76 3.55 -0.48 1.97 -1.52 -1.26 -4.60 119.66 111.55 1x63 s GLN 51 Ca 0.31 -0.56 -0.44 0.00 -1.95 0.00 0.00 55.36 52.72 1x63 s GLN 51 Cb -0.14 -3.02 -0.19 0.00 -0.22 0.00 0.00 33.01 29.44 1x63 s GLN 51 CO 0.62 -0.01 2.01 0.28 -0.25 0.00 0.00 175.29 177.94 1x63 n VAL 52 N 4.29 0.02 0.01 1.09 0.31 -1.26 -2.89 118.33 119.89 1x63 n VAL 52 Ca -0.17 -0.02 -0.22 0.00 -0.01 0.00 0.00 64.34 63.92 1x63 n VAL 52 Cb 0.52 -0.59 -0.14 0.00 -0.91 0.00 0.00 33.84 32.72 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 6.51 0.80 0.00 2.52 2.04 -0.58 -3.48 117.51 125.32 1x63 h ILE 53 Ca -0.20 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.30 1x63 h ILE 53 Cb 1.40 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 1x63 h ILE 53 CO 1.06 0.78 0.00 0.61 0.00 0.00 0.00 178.15 180.60 1x63 n GLY 54 N 1.85 1.75 0.37 5.37 0.00 -0.97 -1.73 105.19 111.84 1x63 n GLY 54 Ca -0.29 -0.44 0.18 0.00 0.00 0.00 0.00 46.02 45.46 1x63 n GLY 54 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1x63 h THR 55 N 0.00 0.60 -1.56 2.61 1.35 -1.86 -3.43 112.91 110.62 1x63 h THR 55 Ca 0.00 -0.19 -0.62 0.00 -0.55 0.00 0.00 66.41 65.05 1x63 h THR 55 Cb 0.00 -0.01 0.15 0.00 -1.73 0.00 0.00 68.15 66.56 1x63 h THR 55 CO 0.00 0.10 -0.88 0.61 -0.25 0.00 0.00 175.52 175.10 1x63 n GLY 56 N -1.39 -2.56 3.69 5.82 0.00 -0.70 -4.85 105.19 105.19 1x63 n GLY 56 Ca 0.24 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.98 3.52 0.26 1.61 0.01 -1.26 -4.97 113.70 111.89 1x63 s SER 57 Ca 0.59 2.37 -0.09 0.00 1.31 0.00 0.00 55.95 60.13 1x63 s SER 57 Cb -0.66 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 62.97 1x63 s SER 57 CO 0.61 -2.72 0.42 0.72 0.41 0.00 0.00 173.24 172.68 1x63 s PHE 58 N -2.16 0.63 -0.22 2.43 -0.12 -1.26 -3.43 117.98 113.85 1x63 s PHE 58 Ca 0.73 -0.95 -0.01 0.00 -0.05 0.00 0.00 56.93 56.65 1x63 s PHE 58 Cb -0.29 0.02 0.06 0.00 -0.63 0.00 0.00 43.02 42.18 1x63 s PHE 58 CO 0.51 -0.97 -0.02 -0.06 -0.05 0.00 0.00 175.22 174.64 1x63 s PHE 59 N -3.83 1.88 -0.48 3.49 0.40 0.19 -4.82 117.98 114.81 1x63 s PHE 59 Ca 0.27 -1.43 -0.27 0.00 -0.60 0.00 0.00 56.93 54.89 1x63 s PHE 59 Cb 0.01 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 1x63 s PHE 59 CO 0.12 -0.72 1.78 -1.25 0.70 0.00 0.00 175.22 175.85 1x63 s PRO 60 N 1.57 3.00 -0.28 0.24 0.04 -1.26 -1.01 135.00 137.30 1x63 s PRO 60 Ca -0.04 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 61.93 1x63 s PRO 60 Cb -0.18 -4.27 0.04 0.00 0.04 0.00 0.00 34.50 30.12 1x63 s PRO 60 CO -0.07 -2.27 -0.01 0.15 0.04 0.00 0.00 177.00 174.83 1x63 s LYS 61 N 6.28 2.67 2.25 4.56 3.01 -0.73 -4.98 119.74 132.79 1x63 s LYS 61 Ca 0.71 -1.11 0.00 0.00 -1.01 0.00 0.00 55.97 54.56 1x63 s LYS 61 Cb -0.16 -3.13 0.00 0.00 -1.01 0.00 0.00 37.83 33.53 1x63 s LYS 61 CO 0.27 -0.52 0.00 0.41 0.51 0.00 0.00 175.35 176.02 1x63 n GLY 62 N 4.67 1.95 1.89 -3.33 0.00 -1.26 -1.19 105.19 107.93 1x63 n GLY 62 Ca -0.15 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 14.00 1.69 -3.83 1.61 2.13 -1.26 -4.82 120.64 130.16 1x63 n GLU 63 Ca 0.00 -1.01 -0.06 0.00 0.66 0.00 0.00 57.16 56.74 1x63 n GLU 63 Cb 0.00 -1.60 -0.01 0.00 0.27 0.00 0.00 31.44 30.10 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 1.32 -0.17 -0.10 4.31 1.01 -0.33 -5.16 116.67 117.55 1x63 s ASP 64 Ca 0.35 -0.69 0.00 0.00 0.71 0.00 0.00 52.55 52.92 1x63 s ASP 64 Cb 0.21 0.70 0.02 0.00 1.01 0.00 0.00 42.92 44.85 1x63 s ASP 64 CO -0.04 -1.32 -0.09 -0.36 0.21 0.00 0.00 175.17 173.58 1x63 s PHE 65 N -3.33 1.47 -0.23 4.23 0.08 -1.26 -1.77 117.98 117.17 1x63 s PHE 65 Ca 0.13 -0.69 -0.05 0.00 0.12 0.00 0.00 56.93 56.43 1x63 s PHE 65 Cb -0.05 -1.19 -0.02 0.00 -0.57 0.00 0.00 43.02 41.19 1x63 s PHE 65 CO 0.07 -0.46 0.00 0.71 -0.10 0.00 0.00 175.22 175.44 1x63 s TYR 66 N 1.47 3.01 0.88 0.36 1.51 -0.18 -1.49 117.35 122.91 1x63 s TYR 66 Ca 0.01 -0.67 -0.11 0.00 -1.01 0.00 0.00 57.07 55.28 1x63 s TYR 66 Cb -0.13 -2.15 0.12 0.00 -0.11 0.00 0.00 41.96 39.69 1x63 s TYR 66 CO -0.06 -0.43 1.15 0.00 -1.11 0.00 0.00 175.55 175.11 1x63 h VAL 68 N -1.60 0.00 -0.18 0.00 2.07 -1.87 -1.09 116.25 113.58 1x63 h VAL 68 Ca -0.44 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1x63 h VAL 68 Cb 1.27 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1x63 h VAL 68 CO 0.43 0.00 -0.10 0.41 0.02 0.00 0.00 177.57 178.33 1x63 n THR 69 N -3.26 -0.12 -0.34 2.57 -1.04 -1.26 0.14 114.28 110.97 1x63 n THR 69 Ca 0.00 1.48 0.06 0.00 -2.04 0.00 0.00 64.05 63.55 1x63 n THR 69 Cb 0.04 -1.93 0.14 0.00 -1.82 0.00 0.00 70.33 66.77 1x63 n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x63 h HIS 71 N 0.00 0.00 0.02 0.00 2.76 0.84 0.41 115.15 119.18 1x63 h HIS 71 Ca 0.47 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.43 1x63 h HIS 71 Cb 0.74 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 1x63 h HIS 71 CO -0.72 0.26 -0.95 0.93 -1.30 0.00 0.00 177.93 176.15 1x63 h GLU 72 N 0.00 0.24 0.00 5.26 4.39 1.18 -0.19 114.58 125.46 1x63 h GLU 72 Ca -0.00 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1x63 h GLU 72 Cb 0.76 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1x63 h GLU 72 CO 0.03 1.02 -1.21 -2.37 -1.16 0.00 0.00 179.01 175.33 1x63 n THR 73 N -3.64 0.07 -0.08 1.13 5.66 0.15 0.14 114.28 117.72 1x63 n THR 73 Ca -0.05 -0.21 -0.07 0.00 -3.05 0.00 0.00 64.05 60.67 1x63 n THR 73 Cb 0.85 0.43 -0.03 0.00 -1.55 0.00 0.00 70.33 70.03 1x63 n THR 73 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1x63 n LYS 74 N -1.86 0.47 0.00 1.09 4.81 0.14 -4.57 118.16 118.25 1x63 n LYS 74 Ca 0.01 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1x63 n LYS 74 Cb 0.43 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1x63 n LYS 74 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1x63 n PHE 75 N -4.58 0.00 -0.21 5.64 3.01 -0.60 -4.58 117.46 116.14 1x63 n PHE 75 Ca -0.11 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.49 1x63 n PHE 75 Cb 0.33 0.00 0.26 0.00 -0.01 0.00 0.00 39.48 40.06 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 -2.31 0.45 -2.36 4.37 0.00 -0.18 -4.08 120.51 116.39 1x63 n ALA 76 Ca 0.00 0.66 -0.41 0.00 0.00 0.00 0.00 53.44 53.69 1x63 n ALA 76 Cb 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 1x63 n ALA 76 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x63 s SER 77 N -4.88 7.42 0.00 0.00 0.01 0.12 -4.87 113.70 111.51 1x63 s SER 77 Ca -0.07 1.80 0.00 0.00 1.31 0.00 0.00 55.95 58.99 1x63 s SER 77 Cb 0.20 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1x63 s SER 77 CO 0.49 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.60 1x63 n GLY 78 N 2.44 -2.12 3.63 3.44 0.00 -1.26 -4.73 105.19 106.59 1x63 n GLY 78 Ca 0.04 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.13 3.78 0.11 1.61 0.04 -1.26 -5.01 135.00 134.15 1x63 s PRO 79 Ca 0.00 1.64 0.05 0.00 0.04 0.00 0.00 61.00 62.73 1x63 s PRO 79 Cb 0.00 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1x63 s PRO 79 CO 0.00 -1.31 0.04 -1.54 0.04 0.00 0.00 177.00 174.23 1x63 s SER 80 N 4.26 5.19 0.54 6.66 1.04 -1.26 -5.06 113.70 125.06 1x63 s SER 80 Ca 0.71 -0.15 0.06 0.00 0.48 0.00 0.00 55.95 57.05 1x63 s SER 80 Cb -0.25 -1.28 0.03 0.00 0.10 0.00 0.00 66.02 64.63 1x63 s SER 80 CO 0.29 0.15 0.41 -0.94 0.98 0.00 0.00 173.24 174.13 1x63 s SER 81 N -2.51 4.65 0.00 7.02 1.04 -1.26 -5.17 113.70 117.48 1x63 s SER 81 Ca 0.27 -1.21 0.03 0.00 0.48 0.00 0.00 55.95 55.52 1x63 s SER 81 Cb -0.11 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.38 1x63 s SER 81 CO 0.20 -1.08 0.60 0.61 0.98 0.00 0.00 173.24 174.55