#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 2.94 0.01 1.61 1.04 -1.26 -5.11 113.70 112.93 1x63 s SER 2 Ca 0.00 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.64 1x63 s SER 2 Cb 0.00 -0.73 -0.04 0.00 0.10 0.00 0.00 66.02 65.35 1x63 s SER 2 CO 0.00 0.24 1.05 -0.44 0.98 0.00 0.00 173.24 175.08 1x63 s SER 3 N -0.21 7.27 0.00 7.02 0.01 -1.26 -4.95 113.70 121.57 1x63 s SER 3 Ca -0.01 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.01 1x63 s SER 3 Cb -0.13 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1x63 s SER 3 CO 0.03 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1x63 n GLY 4 N 3.02 0.20 3.32 3.44 0.00 -1.26 -5.10 105.19 108.81 1x63 n GLY 4 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 0.82 2.98 -0.15 1.61 0.01 -1.26 -5.07 113.70 112.63 1x63 s SER 5 Ca 0.00 -0.58 -0.08 0.00 1.31 0.00 0.00 55.95 56.60 1x63 s SER 5 Cb 0.00 -0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.03 1x63 s SER 5 CO 0.00 0.23 0.36 -0.44 0.41 0.00 0.00 173.24 173.80 1x63 s SER 6 N -1.28 -0.37 0.00 2.44 0.01 -1.26 -4.99 113.70 108.26 1x63 s SER 6 Ca 0.11 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.16 1x63 s SER 6 Cb -0.10 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1x63 s SER 6 CO 0.02 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1x63 n GLY 7 N 4.45 0.26 3.19 3.44 0.00 -1.26 -5.01 105.19 110.26 1x63 n GLY 7 Ca -0.21 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 -6.44 -3.36 1.61 4.01 -1.26 -5.00 118.16 107.73 1x63 n LYS 8 Ca 0.00 0.67 -0.35 0.00 -0.51 0.00 0.00 58.31 58.12 1x63 n LYS 8 Cb 0.00 -5.24 -0.06 0.00 -0.51 0.00 0.00 35.03 29.22 1x63 n LYS 8 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1x63 h THR 10 N 2.64 1.26 -3.13 0.00 1.35 -2.07 -3.45 112.91 109.51 1x63 h THR 10 Ca -0.48 -1.17 -0.44 0.00 -0.55 0.00 0.00 66.41 63.76 1x63 h THR 10 Cb 1.19 1.09 0.22 0.00 -1.73 0.00 0.00 68.15 68.92 1x63 h THR 10 CO 0.66 0.40 -0.15 0.35 -0.25 0.00 0.00 175.52 176.53 1x63 n THR 11 N -4.16 0.00 -3.32 6.82 -2.24 -1.26 -5.00 114.28 105.13 1x63 n THR 11 Ca 0.01 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 61.06 1x63 n THR 11 Cb 0.37 -0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 67.60 1x63 n THR 11 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x63 s ARG 12 N -4.28 3.80 -0.36 -0.78 0.52 -1.26 -5.01 118.95 111.58 1x63 s ARG 12 Ca 0.67 0.31 0.06 0.00 -0.52 0.00 0.00 55.73 56.25 1x63 s ARG 12 Cb -0.24 -2.59 0.47 0.00 0.52 0.00 0.00 34.95 33.11 1x63 s ARG 12 CO 0.65 0.25 1.44 0.39 0.02 0.00 0.00 175.30 178.05 1x63 n GLU 13 N -0.39 2.83 -0.64 3.54 4.71 -1.26 -4.80 120.64 124.63 1x63 n GLU 13 Ca 0.01 -3.68 -0.04 0.00 -0.01 0.00 0.00 57.16 53.44 1x63 n GLU 13 Cb 0.53 -2.12 -0.03 0.00 -1.01 0.00 0.00 31.44 28.81 1x63 n GLU 13 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1x63 n ASP 14 N -0.89 5.46 -3.61 1.62 5.68 -1.26 -4.75 116.55 118.80 1x63 n ASP 14 Ca 0.44 -2.50 -0.11 0.00 -0.50 0.00 0.00 54.79 52.12 1x63 n ASP 14 Cb 0.91 -1.18 -0.06 0.00 -1.14 0.00 0.00 41.12 39.65 1x63 n ASP 14 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1x63 s SER 15 N 1.80 -0.48 -0.55 -1.12 0.15 -1.26 -5.11 113.70 107.13 1x63 s SER 15 Ca 0.16 0.77 -0.27 0.00 0.70 0.00 0.00 55.95 57.31 1x63 s SER 15 Cb 0.09 0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 65.11 1x63 s SER 15 CO -0.00 -0.26 1.82 -2.16 1.20 0.00 0.00 173.24 173.84 1x63 s PRO 16 N -0.30 2.81 0.35 5.44 0.04 -1.23 -4.80 135.00 137.31 1x63 s PRO 16 Ca -0.00 0.79 -0.26 0.00 0.04 0.00 0.00 61.00 61.56 1x63 s PRO 16 Cb -0.03 -4.33 -0.09 0.00 0.04 0.00 0.00 34.50 30.09 1x63 s PRO 16 CO -0.01 -2.50 1.08 0.15 0.04 0.00 0.00 177.00 175.75 1x63 s LYS 17 N 6.66 4.36 0.72 4.56 -0.14 -1.26 0.33 119.74 134.96 1x63 s LYS 17 Ca 0.69 1.66 -0.11 0.00 -1.36 0.00 0.00 55.97 56.85 1x63 s LYS 17 Cb -0.15 -2.83 0.02 0.00 -1.68 0.00 0.00 37.83 33.20 1x63 s LYS 17 CO 0.24 -0.00 1.10 0.00 -0.76 0.00 0.00 175.35 175.92 1x63 n LYS 19 N -3.08 1.95 0.01 0.00 3.00 -1.09 -3.55 118.16 115.40 1x63 n LYS 19 Ca 0.07 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.31 58.27 1x63 n LYS 19 Cb 0.57 -1.26 -0.07 0.00 0.00 0.00 0.00 35.03 34.27 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 2.03 -0.15 0.17 3.14 0.00 -1.93 -3.36 103.07 102.96 1x63 h GLY 20 Ca -0.23 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1x63 h GLY 20 CO 0.01 -0.05 -1.02 0.00 0.00 0.00 0.00 176.54 175.47 1x63 n PHE 22 N -1.60 -1.13 -4.29 0.00 3.72 -1.23 -5.00 117.46 107.93 1x63 n PHE 22 Ca 0.03 0.19 -0.31 0.00 -0.05 0.00 0.00 57.45 57.31 1x63 n PHE 22 Cb 0.36 -3.53 -0.09 0.00 -0.94 0.00 0.00 39.48 35.28 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 -5.10 2.44 0.20 -1.08 1.02 -1.26 -4.72 119.74 111.24 1x63 s LYS 23 Ca 0.11 -0.83 -0.32 0.00 0.02 0.00 0.00 55.97 54.94 1x63 s LYS 23 Cb -0.05 -2.47 -0.12 0.00 -0.52 0.00 0.00 37.83 34.67 1x63 s LYS 23 CO 0.13 0.56 1.73 0.00 -0.92 0.00 0.00 175.35 176.85 1x63 n ALA 24 N 1.02 2.72 -2.78 5.17 0.00 -1.26 -0.15 120.51 125.23 1x63 n ALA 24 Ca -0.13 0.40 -0.32 0.00 0.00 0.00 0.00 53.44 53.38 1x63 n ALA 24 Cb 0.52 -2.52 -0.07 0.00 0.00 0.00 0.00 19.45 17.38 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 1.30 4.67 0.45 0.00 1.01 0.15 -4.84 121.20 123.93 1x63 s ILE 25 Ca 0.76 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.96 1x63 s ILE 25 Cb -0.51 -3.17 0.06 0.00 0.01 0.00 0.00 42.46 38.85 1x63 s ILE 25 CO 0.33 0.29 0.47 1.33 0.00 0.00 0.00 174.94 177.35 1x63 n VAL 26 N 0.98 0.00 -0.07 2.92 0.24 -1.26 -3.50 118.33 117.64 1x63 n VAL 26 Ca -0.12 -1.65 -0.08 0.00 -2.04 0.00 0.00 64.34 60.45 1x63 n VAL 26 Cb 0.52 -0.34 -0.05 0.00 -1.47 0.00 0.00 33.84 32.50 1x63 n VAL 26 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x63 h ALA 27 N 0.47 0.06 -1.14 2.33 0.00 -2.00 -3.37 119.26 115.62 1x63 h ALA 27 Ca -0.25 -0.56 0.32 0.00 0.00 0.00 0.00 54.91 54.43 1x63 h ALA 27 Cb 1.00 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 19.09 1x63 h ALA 27 CO 0.38 0.39 0.74 0.78 0.00 0.00 0.00 179.25 181.54 1x63 h GLY 28 N -1.00 1.13 -3.72 0.00 0.00 -2.05 -3.40 103.07 94.02 1x63 h GLY 28 Ca -0.08 -0.16 -0.51 0.00 0.00 0.00 0.00 47.33 46.59 1x63 h GLY 28 CO -0.05 -0.20 0.50 -0.35 0.00 0.00 0.00 176.54 176.44 1x63 s ASP 29 N -5.02 7.13 -0.24 0.19 2.15 -1.26 -4.97 116.67 114.64 1x63 s ASP 29 Ca -0.08 2.33 -0.29 0.00 0.43 0.00 0.00 52.55 54.93 1x63 s ASP 29 Cb 0.26 -2.63 -0.01 0.00 -0.30 0.00 0.00 42.92 40.25 1x63 s ASP 29 CO 0.81 -0.25 1.30 -1.10 -0.17 0.00 0.00 175.17 175.75 1x63 s GLN 30 N -1.60 4.04 0.31 4.34 -0.21 -1.26 -4.84 119.66 120.43 1x63 s GLN 30 Ca 0.46 1.43 0.05 0.00 0.02 0.00 0.00 55.36 57.33 1x63 s GLN 30 Cb -0.33 -3.84 -0.03 0.00 1.00 0.00 0.00 33.01 29.81 1x63 s GLN 30 CO 0.42 -0.96 0.22 -0.80 -2.12 0.00 0.00 175.29 172.05 1x63 s ASN 31 N 2.51 1.50 -0.33 5.90 0.01 -1.26 -0.44 114.94 122.83 1x63 s ASN 31 Ca 0.56 -1.65 0.01 0.00 -0.71 0.00 0.00 52.86 51.07 1x63 s ASN 31 Cb -0.19 0.49 0.10 0.00 0.41 0.00 0.00 41.25 42.06 1x63 s ASN 31 CO 0.20 -0.98 0.08 -0.69 -1.51 0.00 0.00 177.10 174.19 1x63 s VAL 32 N -3.57 1.54 0.19 1.60 1.01 0.07 -4.69 120.40 116.53 1x63 s VAL 32 Ca 0.38 -1.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.37 1x63 s VAL 32 Cb 0.04 -2.15 -0.07 0.00 0.00 0.00 0.00 36.38 34.20 1x63 s VAL 32 CO 0.22 -0.65 0.56 -0.70 0.00 0.00 0.00 175.10 174.54 1x63 s GLU 33 N 1.26 3.91 -0.29 2.72 2.12 -1.26 -1.10 118.70 126.06 1x63 s GLU 33 Ca 0.11 0.42 -0.03 0.00 0.36 0.00 0.00 54.97 55.83 1x63 s GLU 33 Cb -0.18 -2.79 0.17 0.00 0.26 0.00 0.00 34.13 31.59 1x63 s GLU 33 CO -0.17 0.40 0.58 -0.47 -0.54 0.00 0.00 175.26 175.06 1x63 s TYR 34 N -1.63 -1.46 -1.49 5.30 5.04 -0.30 -4.93 117.35 117.88 1x63 s TYR 34 Ca 0.42 1.72 -0.11 0.00 -2.44 0.00 0.00 57.07 56.66 1x63 s TYR 34 Cb -0.13 0.54 0.07 0.00 0.35 0.00 0.00 41.96 42.79 1x63 s TYR 34 CO 0.20 -0.82 0.96 1.63 -1.34 0.00 0.00 175.55 176.18 1x63 n LYS 35 N 5.42 -5.65 0.00 4.97 4.76 -1.26 -2.68 118.16 123.72 1x63 n LYS 35 Ca -0.03 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 1x63 n LYS 35 Cb 0.51 -5.48 0.00 0.00 -1.84 0.00 0.00 35.03 28.22 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 -1.70 2.38 3.22 0.72 0.00 -1.26 -5.04 105.19 103.50 1x63 n GLY 36 Ca -0.01 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.09 -4.92 114.28 105.00 1x63 n THR 37 Ca 0.00 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 1x63 n THR 37 Cb 0.00 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.57 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 -2.19 0.00 -0.12 2.28 0.11 -1.26 -1.15 120.40 118.07 1x63 s VAL 38 Ca 0.52 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.59 1x63 s VAL 38 Cb -0.10 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1x63 s VAL 38 CO 0.59 0.00 -0.17 0.26 -3.33 0.00 0.00 175.10 172.45 1x63 s TRP 39 N 0.53 2.19 0.26 1.54 0.51 -0.26 -2.66 118.94 121.05 1x63 s TRP 39 Ca -0.00 -1.08 -0.28 0.00 -2.12 0.00 0.00 56.10 52.62 1x63 s TRP 39 Cb -0.05 -1.55 -0.15 0.00 -0.81 0.00 0.00 33.47 30.91 1x63 s TRP 39 CO -0.08 -0.54 0.90 0.72 -0.51 0.00 0.00 176.95 177.44 1x63 n HIS 40 N 4.23 0.85 -0.12 -1.98 8.25 -1.26 -0.75 115.22 124.44 1x63 n HIS 40 Ca -0.19 0.77 0.24 0.00 -0.26 0.00 0.00 57.72 58.28 1x63 n HIS 40 Cb 0.51 -2.18 0.40 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 1.79 0.00 0.00 -0.41 3.64 -1.05 2.00 116.57 122.54 1x63 h LYS 41 Ca -0.37 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.66 1x63 h LYS 41 Cb 1.36 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.12 1x63 h LYS 41 CO 0.60 0.00 -2.34 -0.40 -2.27 0.00 0.00 179.45 175.04 1x63 n ASP 42 N -3.17 0.04 -0.02 4.20 5.75 -1.26 -3.19 116.55 118.89 1x63 n ASP 42 Ca 0.19 0.02 -0.13 0.00 -0.01 0.00 0.00 54.79 54.86 1x63 n ASP 42 Cb 1.40 0.99 -0.10 0.00 -1.03 0.00 0.00 41.12 42.38 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 -4.78 2.02 -4.43 0.00 7.35 0.36 -4.88 117.46 113.10 1x63 n PHE 44 Ca -0.08 0.11 -0.22 0.00 -0.76 0.00 0.00 57.45 56.49 1x63 n PHE 44 Cb 0.29 -2.62 -0.09 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 5.79 0.73 0.61 -2.13 -4.23 -1.26 -0.68 115.64 114.47 1x63 s THR 45 Ca 1.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.45 1x63 s THR 45 Cb -0.72 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 70.58 1x63 s THR 45 CO 0.49 0.00 0.92 0.00 -0.54 0.00 0.00 174.62 175.49 1x63 n SER 47 N -2.64 0.00 -0.00 0.00 3.41 0.10 -3.46 113.62 111.03 1x63 n SER 47 Ca 0.05 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1x63 n SER 47 Cb 0.58 1.63 -0.00 0.00 -0.26 0.00 0.00 64.21 66.16 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 -2.44 0.10 0.19 4.04 5.15 -1.26 -4.59 115.26 116.43 1x63 n ASN 48 Ca -0.15 0.21 0.08 0.00 -0.60 0.00 0.00 54.58 54.12 1x63 n ASN 48 Cb 0.79 -0.52 0.11 0.00 -0.53 0.00 0.00 39.78 39.63 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 -3.15 -5.85 -4.07 0.00 4.76 -1.22 -4.96 118.16 103.66 1x63 n LYS 50 Ca 0.03 0.72 -0.34 0.00 -2.87 0.00 0.00 58.31 55.85 1x63 n LYS 50 Cb 0.62 -5.38 -0.14 0.00 -1.84 0.00 0.00 35.03 28.28 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 -5.32 3.32 -0.46 1.97 -0.21 -1.26 -4.62 119.66 113.08 1x63 s GLN 51 Ca 0.08 -0.67 -0.42 0.00 0.02 0.00 0.00 55.36 54.37 1x63 s GLN 51 Cb -0.04 -2.88 -0.18 0.00 1.00 0.00 0.00 33.01 30.92 1x63 s GLN 51 CO 0.62 -0.13 1.66 0.28 -2.12 0.00 0.00 175.29 175.60 1x63 n VAL 52 N 4.57 0.00 -0.06 1.09 0.31 -1.26 -3.08 118.33 119.89 1x63 n VAL 52 Ca -0.19 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.93 1x63 n VAL 52 Cb 0.51 -0.46 -0.13 0.00 -0.91 0.00 0.00 33.84 32.85 1x63 n VAL 52 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1x63 n ILE 53 N 4.58 1.65 -3.54 2.52 5.41 0.14 -4.93 119.36 125.19 1x63 n ILE 53 Ca 0.37 -0.52 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1x63 n ILE 53 Cb -0.05 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.17 1x63 n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x63 n GLY 54 N 1.92 1.27 0.32 7.39 0.00 -1.13 -2.21 105.19 112.75 1x63 n GLY 54 Ca -0.38 -0.55 0.18 0.00 0.00 0.00 0.00 46.02 45.27 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 0.18 -1.46 2.61 1.35 -1.84 -3.43 112.91 110.33 1x63 h THR 55 Ca 0.00 -0.05 -0.43 0.00 -0.55 0.00 0.00 66.41 65.38 1x63 h THR 55 Cb 0.00 0.04 0.14 0.00 -1.73 0.00 0.00 68.15 66.60 1x63 h THR 55 CO 0.00 0.02 -0.93 0.61 -0.25 0.00 0.00 175.52 174.97 1x63 n GLY 56 N -1.38 -2.53 3.73 5.82 0.00 -0.94 -4.83 105.19 105.07 1x63 n GLY 56 Ca 0.26 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.73 4.50 0.27 1.61 0.01 -1.26 -4.99 113.70 113.10 1x63 s SER 57 Ca 0.40 2.32 -0.07 0.00 1.31 0.00 0.00 55.95 59.91 1x63 s SER 57 Cb -0.33 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.31 1x63 s SER 57 CO 0.50 -2.06 0.40 0.72 0.41 0.00 0.00 173.24 173.21 1x63 s PHE 58 N -1.96 0.79 -0.30 2.43 -0.71 -1.26 -3.50 117.98 113.47 1x63 s PHE 58 Ca 0.74 -1.07 -0.02 0.00 -1.04 0.00 0.00 56.93 55.54 1x63 s PHE 58 Cb -0.28 -0.08 0.10 0.00 -1.21 0.00 0.00 43.02 41.55 1x63 s PHE 58 CO 0.43 -0.96 0.11 -0.06 -1.34 0.00 0.00 175.22 173.39 1x63 s PHE 59 N -3.73 1.19 -0.58 3.49 0.40 0.20 -4.85 117.98 114.10 1x63 s PHE 59 Ca 0.29 -1.40 -0.27 0.00 -0.60 0.00 0.00 56.93 54.95 1x63 s PHE 59 Cb 0.01 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 42.12 1x63 s PHE 59 CO 0.14 -0.85 1.84 -1.25 0.70 0.00 0.00 175.22 175.79 1x63 s PRO 60 N 1.80 2.73 -0.10 0.24 0.04 -1.26 -1.94 135.00 136.51 1x63 s PRO 60 Ca 0.09 0.70 -0.03 0.00 0.04 0.00 0.00 61.00 61.80 1x63 s PRO 60 Cb -0.17 -4.36 -0.03 0.00 0.04 0.00 0.00 34.50 29.98 1x63 s PRO 60 CO -0.29 -2.60 0.03 0.15 0.04 0.00 0.00 177.00 174.33 1x63 s LYS 61 N 6.83 3.12 0.04 4.56 -0.14 -1.07 -4.95 119.74 128.13 1x63 s LYS 61 Ca 0.68 -0.36 0.00 0.00 -1.36 0.00 0.00 55.97 54.94 1x63 s LYS 61 Cb -0.14 -2.89 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 1x63 s LYS 61 CO 0.22 0.69 0.00 0.41 -0.76 0.00 0.00 175.35 175.91 1x63 n GLY 62 N 2.20 0.69 2.52 -3.33 0.00 -1.26 0.20 105.19 106.21 1x63 n GLY 62 Ca -0.19 0.85 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 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 2.44 -3.65 1.61 4.07 -1.26 -5.08 120.64 118.77 1x63 n GLU 63 Ca 0.00 -3.78 -0.13 0.00 -0.06 0.00 0.00 57.16 53.19 1x63 n GLU 63 Cb 0.00 -1.85 -0.04 0.00 -0.06 0.00 0.00 31.44 29.49 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1x63 n ASP 64 N -0.58 -0.96 -3.79 4.31 8.00 0.13 -5.15 116.55 118.51 1x63 n ASP 64 Ca 0.22 -2.64 -0.29 0.00 0.71 0.00 0.00 54.79 52.78 1x63 n ASP 64 Cb 0.85 1.89 -0.16 0.00 -0.02 0.00 0.00 41.12 43.68 1x63 n ASP 64 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1x63 s PHE 65 N -3.22 1.77 -0.20 1.24 0.08 -1.26 -2.59 117.98 113.80 1x63 s PHE 65 Ca 0.27 -1.56 -0.13 0.00 0.12 0.00 0.00 56.93 55.63 1x63 s PHE 65 Cb -0.00 -1.56 -0.05 0.00 -0.57 0.00 0.00 43.02 40.85 1x63 s PHE 65 CO 0.19 -0.78 0.26 0.71 -0.10 0.00 0.00 175.22 175.49 1x63 s TYR 66 N 1.60 3.39 0.55 0.36 1.51 -0.82 -0.72 117.35 123.22 1x63 s TYR 66 Ca 0.03 0.46 -0.18 0.00 -1.01 0.00 0.00 57.07 56.37 1x63 s TYR 66 Cb -0.18 -2.34 -0.06 0.00 -0.11 0.00 0.00 41.96 39.28 1x63 s TYR 66 CO -0.15 0.14 1.07 0.00 -1.11 0.00 0.00 175.55 175.50 1x63 n VAL 68 N -1.51 -0.02 -0.19 0.00 0.31 -1.23 -0.54 118.33 115.15 1x63 n VAL 68 Ca 0.10 1.05 -0.05 0.00 -0.01 0.00 0.00 64.34 65.43 1x63 n VAL 68 Cb 0.52 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 32.01 1x63 n VAL 68 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1x63 n THR 69 N -2.78 -0.31 -0.28 2.52 -1.04 -1.26 0.13 114.28 111.25 1x63 n THR 69 Ca 0.00 1.92 0.09 0.00 -2.04 0.00 0.00 64.05 64.02 1x63 n THR 69 Cb 0.01 -2.45 0.21 0.00 -1.82 0.00 0.00 70.33 66.28 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 0.11 0.00 -0.09 0.00 2.76 0.20 0.48 115.15 118.61 1x63 h HIS 71 Ca 0.48 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.55 1x63 h HIS 71 Cb 0.90 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.87 1x63 h HIS 71 CO -0.41 0.37 -0.31 0.93 -1.30 0.00 0.00 177.93 177.20 1x63 h GLU 72 N 0.00 0.38 0.15 5.26 4.39 0.90 -1.59 114.58 124.07 1x63 h GLU 72 Ca -0.00 -0.28 -0.30 0.00 0.34 0.00 0.00 59.36 59.12 1x63 h GLU 72 Cb 0.78 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1x63 h GLU 72 CO 0.05 0.91 -1.40 0.00 -1.16 0.00 0.00 179.01 177.40 1x63 h THR 73 N -0.07 1.32 0.50 1.13 1.03 -0.61 -2.69 112.91 113.51 1x63 h THR 73 Ca -0.01 -2.89 -0.02 0.00 -0.01 0.00 0.00 66.41 63.47 1x63 h THR 73 Cb 0.94 2.89 0.00 0.00 -1.07 0.00 0.00 68.15 70.91 1x63 h THR 73 CO 0.07 0.85 -0.24 0.50 -0.01 0.00 0.00 175.52 176.69 1x63 h LYS 74 N 0.08 -0.65 0.00 0.00 3.64 -0.13 -3.42 116.57 116.09 1x63 h LYS 74 Ca -0.20 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1x63 h LYS 74 Cb 2.02 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.99 1x63 h LYS 74 CO 0.20 -0.43 0.00 1.19 -2.27 0.00 0.00 179.45 178.14 1x63 n PHE 75 N -4.56 0.00 -0.47 1.91 3.72 -0.63 -4.96 117.46 112.48 1x63 n PHE 75 Ca -0.08 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 1x63 n PHE 75 Cb 0.27 -0.21 0.18 0.00 -0.94 0.00 0.00 39.48 38.77 1x63 n PHE 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x63 n ALA 76 N -1.39 -1.66 -2.50 4.37 0.00 -1.02 -5.01 120.51 113.29 1x63 n ALA 76 Ca 0.00 -1.21 -0.22 0.00 0.00 0.00 0.00 53.44 52.00 1x63 n ALA 76 Cb 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.19 2.56 0.00 0.00 0.01 -1.22 -4.41 113.70 108.44 1x63 s SER 77 Ca 0.43 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1x63 s SER 77 Cb -0.08 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1x63 s SER 77 CO 0.39 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.65 1x63 n GLY 78 N 0.69 -0.13 3.77 3.44 0.00 -1.26 -4.99 105.19 106.71 1x63 n GLY 78 Ca -0.16 0.53 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 3.25 2.44 0.17 1.61 0.04 -1.26 -5.07 135.00 136.17 1x63 s PRO 79 Ca 0.00 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 1x63 s PRO 79 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1x63 s PRO 79 CO 0.00 -1.51 0.33 -1.12 0.04 0.00 0.00 177.00 174.75 1x63 s SER 80 N -3.11 -0.02 0.07 6.66 0.01 -1.26 -5.05 113.70 110.99 1x63 s SER 80 Ca 0.63 -0.76 0.15 0.00 1.31 0.00 0.00 55.95 57.27 1x63 s SER 80 Cb -0.18 0.46 -0.14 0.00 0.21 0.00 0.00 66.02 66.37 1x63 s SER 80 CO 0.51 -0.92 0.91 0.77 0.41 0.00 0.00 173.24 174.92 1x63 h SER 81 N 2.48 0.00 0.00 2.44 4.64 -2.06 -3.57 113.55 117.47 1x63 h SER 81 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1x63 h SER 81 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1x63 h SER 81 CO 0.46 0.70 0.00 0.61 -0.87 0.00 0.00 176.83 177.74