#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 -0.38 -0.55 1.61 0.15 -1.26 -5.11 113.70 108.17 1x63 s SER 2 Ca 0.00 0.37 -0.27 0.00 0.70 0.00 0.00 55.95 56.75 1x63 s SER 2 Cb 0.00 1.37 -0.02 0.00 -1.71 0.00 0.00 66.02 65.66 1x63 s SER 2 CO 0.00 -0.07 1.88 -0.55 1.20 0.00 0.00 173.24 175.69 1x63 s SER 3 N 2.60 5.35 0.46 5.45 0.15 -1.26 -4.73 113.70 121.73 1x63 s SER 3 Ca -0.02 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1x63 s SER 3 Cb -0.07 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1x63 s SER 3 CO -0.14 -2.26 0.00 0.61 1.20 0.00 0.00 173.24 172.65 1x63 n GLY 4 N 5.65 -3.21 3.54 9.45 0.00 -1.26 -4.99 105.19 114.37 1x63 n GLY 4 Ca 0.22 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 1x63 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x63 s SER 5 N -6.40 3.95 0.48 1.61 1.04 -1.26 -5.15 113.70 107.96 1x63 s SER 5 Ca 0.00 -0.91 0.06 0.00 0.48 0.00 0.00 55.95 55.58 1x63 s SER 5 Cb 0.00 -0.50 -0.01 0.00 0.10 0.00 0.00 66.02 65.62 1x63 s SER 5 CO 0.00 -0.00 0.28 -0.44 0.98 0.00 0.00 173.24 174.06 1x63 s SER 6 N -3.58 4.56 0.00 7.02 0.01 -1.26 -5.04 113.70 115.40 1x63 s SER 6 Ca 0.31 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1x63 s SER 6 Cb -0.05 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1x63 s SER 6 CO 0.17 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1x63 n GLY 7 N -1.50 0.20 3.57 3.44 0.00 -1.26 -5.05 105.19 104.59 1x63 n GLY 7 Ca -0.03 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1x63 n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x63 s LYS 8 N 0.00 2.97 -0.13 1.61 2.20 -1.26 -4.94 119.74 120.19 1x63 s LYS 8 Ca 0.00 -0.95 -0.02 0.00 -0.36 0.00 0.00 55.97 54.63 1x63 s LYS 8 Cb 0.00 -5.24 -0.03 0.00 -1.51 0.00 0.00 37.83 31.05 1x63 s LYS 8 CO 0.00 -3.12 -0.05 0.00 -0.36 0.00 0.00 175.35 171.82 1x63 s THR 10 N 0.08 4.85 -0.09 0.00 -4.23 -1.26 -5.02 115.64 109.97 1x63 s THR 10 Ca -0.01 -0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 60.49 1x63 s THR 10 Cb -0.14 -3.20 -0.00 0.00 1.34 0.00 0.00 72.50 70.50 1x63 s THR 10 CO 0.03 0.44 0.00 0.74 -0.54 0.00 0.00 174.62 175.30 1x63 h THR 11 N 4.91 0.00 -5.27 3.99 2.02 -2.00 -3.48 112.91 113.08 1x63 h THR 11 Ca -0.37 -0.94 -0.36 0.00 0.77 0.00 0.00 66.41 65.50 1x63 h THR 11 Cb 1.17 0.00 0.12 0.00 -1.74 0.00 0.00 68.15 67.70 1x63 h THR 11 CO 0.70 0.00 -0.61 -1.14 0.37 0.00 0.00 175.52 174.84 1x63 n ARG 12 N -4.63 -6.98 -4.31 6.66 3.00 -1.26 -5.01 116.66 104.13 1x63 n ARG 12 Ca -0.00 0.76 -0.23 0.00 -0.00 0.00 0.00 57.85 58.38 1x63 n ARG 12 Cb 0.00 -5.57 -0.12 0.00 0.00 0.00 0.00 32.46 26.78 1x63 n ARG 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1x63 s GLU 13 N -6.14 1.21 -0.17 -0.14 2.56 -1.26 -5.03 118.70 109.73 1x63 s GLU 13 Ca 0.51 -1.29 -0.03 0.00 0.00 0.00 0.00 54.97 54.16 1x63 s GLU 13 Cb -0.22 -1.37 -0.03 0.00 2.00 0.00 0.00 34.13 34.50 1x63 s GLU 13 CO 0.63 0.30 2.73 -0.25 -0.56 0.00 0.00 175.26 178.11 1x63 n ASP 14 N 0.68 5.79 -3.64 -1.70 8.00 -1.26 -4.77 116.55 119.65 1x63 n ASP 14 Ca -0.16 -2.75 -0.08 0.00 0.71 0.00 0.00 54.79 52.51 1x63 n ASP 14 Cb 0.55 -1.24 -0.07 0.00 -0.02 0.00 0.00 41.12 40.35 1x63 n ASP 14 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1x63 s SER 15 N 1.26 -0.48 -0.49 -2.24 0.01 -1.26 -5.12 113.70 105.38 1x63 s SER 15 Ca 0.42 0.89 -0.27 0.00 1.31 0.00 0.00 55.95 58.30 1x63 s SER 15 Cb 0.24 0.96 -0.02 0.00 0.21 0.00 0.00 66.02 67.41 1x63 s SER 15 CO -0.05 -0.15 1.79 -2.16 0.41 0.00 0.00 173.24 173.07 1x63 s PRO 16 N 0.44 2.97 0.35 12.44 0.04 -1.22 -4.81 135.00 145.21 1x63 s PRO 16 Ca 0.01 0.92 -0.26 0.00 0.04 0.00 0.00 61.00 61.71 1x63 s PRO 16 Cb -0.05 -4.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.12 1x63 s PRO 16 CO -0.08 -2.30 1.01 0.15 0.04 0.00 0.00 177.00 175.82 1x63 s LYS 17 N 6.33 4.40 0.61 4.56 -0.14 -1.26 0.50 119.74 134.74 1x63 s LYS 17 Ca 0.71 1.48 -0.09 0.00 -1.36 0.00 0.00 55.97 56.71 1x63 s LYS 17 Cb -0.16 -2.74 -0.01 0.00 -1.68 0.00 0.00 37.83 33.24 1x63 s LYS 17 CO 0.26 0.08 0.96 0.00 -0.76 0.00 0.00 175.35 175.90 1x63 n LYS 19 N -2.67 1.20 0.29 0.00 3.00 -1.24 -3.48 118.16 115.26 1x63 n LYS 19 Ca 0.05 0.04 -0.12 0.00 -0.00 0.00 0.00 58.31 58.28 1x63 n LYS 19 Cb 0.56 -1.33 -0.06 0.00 0.00 0.00 0.00 35.03 34.20 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 1.93 -0.82 0.72 3.14 0.00 -1.93 -3.34 103.07 102.77 1x63 h GLY 20 Ca -0.36 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1x63 h GLY 20 CO -0.02 -0.30 -1.17 0.00 0.00 0.00 0.00 176.54 175.06 1x63 n PHE 22 N -2.37 -0.77 -4.75 0.00 3.72 -1.23 -5.02 117.46 107.04 1x63 n PHE 22 Ca 0.00 0.15 -0.33 0.00 -0.05 0.00 0.00 57.45 57.22 1x63 n PHE 22 Cb 0.51 -2.62 -0.13 0.00 -0.94 0.00 0.00 39.48 36.31 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 -4.86 2.83 0.14 -1.08 1.02 -1.26 -4.73 119.74 111.81 1x63 s LYS 23 Ca 0.09 -0.63 -0.34 0.00 0.02 0.00 0.00 55.97 55.10 1x63 s LYS 23 Cb -0.04 -2.53 -0.15 0.00 -0.52 0.00 0.00 37.83 34.58 1x63 s LYS 23 CO 0.11 0.53 1.36 0.00 -0.92 0.00 0.00 175.35 176.44 1x63 n ALA 24 N 2.59 -0.10 -2.72 5.17 0.00 -1.26 -1.79 120.51 122.40 1x63 n ALA 24 Ca -0.18 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 1x63 n ALA 24 Cb 0.53 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.74 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 0.35 4.29 0.56 0.00 1.01 0.18 -4.85 121.20 122.74 1x63 s ILE 25 Ca 0.78 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.76 1x63 s ILE 25 Cb -0.83 -3.00 0.05 0.00 0.01 0.00 0.00 42.46 38.70 1x63 s ILE 25 CO 0.46 0.24 0.43 1.33 0.00 0.00 0.00 174.94 177.40 1x63 n VAL 26 N 0.90 0.00 -0.00 2.92 0.24 -1.26 -3.46 118.33 117.67 1x63 n VAL 26 Ca -0.12 -2.19 -0.00 0.00 -2.04 0.00 0.00 64.34 59.99 1x63 n VAL 26 Cb 0.52 -0.04 -0.00 0.00 -1.47 0.00 0.00 33.84 32.85 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 0.65 0.00 -0.94 2.33 0.00 -2.00 -3.35 119.26 115.95 1x63 h ALA 27 Ca -0.35 -0.06 0.32 0.00 0.00 0.00 0.00 54.91 54.83 1x63 h ALA 27 Cb 1.28 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1x63 h ALA 27 CO 0.54 0.00 0.61 0.41 0.00 0.00 0.00 179.25 180.81 1x63 n GLY 28 N 1.94 -0.57 3.77 0.00 0.00 -1.26 -4.24 105.19 104.83 1x63 n GLY 28 Ca -0.00 0.51 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.36 7.08 -0.23 1.61 2.15 -1.26 -4.98 116.67 116.68 1x63 s ASP 29 Ca -0.05 2.19 -0.29 0.00 0.43 0.00 0.00 52.55 54.83 1x63 s ASP 29 Cb 0.21 -2.61 -0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1x63 s ASP 29 CO 0.55 -0.27 1.24 -1.10 -0.17 0.00 0.00 175.17 175.42 1x63 s GLN 30 N -1.82 4.11 0.32 4.34 1.11 -1.26 -4.86 119.66 121.60 1x63 s GLN 30 Ca 0.49 1.44 0.06 0.00 0.01 0.00 0.00 55.36 57.36 1x63 s GLN 30 Cb -0.29 -3.79 -0.03 0.00 -1.01 0.00 0.00 33.01 27.90 1x63 s GLN 30 CO 0.36 -0.86 0.28 -0.80 0.01 0.00 0.00 175.29 174.28 1x63 s ASN 31 N 2.16 1.49 -0.25 5.90 0.01 -1.26 -0.46 114.94 122.53 1x63 s ASN 31 Ca 0.53 -1.71 -0.00 0.00 -0.71 0.00 0.00 52.86 50.97 1x63 s ASN 31 Cb -0.18 0.55 0.07 0.00 0.41 0.00 0.00 41.25 42.10 1x63 s ASN 31 CO 0.17 -1.06 0.02 -0.69 -1.51 0.00 0.00 177.10 174.03 1x63 s VAL 32 N -3.48 1.14 -0.24 1.60 1.01 0.42 -4.67 120.40 116.18 1x63 s VAL 32 Ca 0.40 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1x63 s VAL 32 Cb 0.03 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1x63 s VAL 32 CO 0.26 -0.34 0.20 -0.70 0.00 0.00 0.00 175.10 174.52 1x63 s GLU 33 N 1.54 4.07 -0.22 2.72 2.12 -1.26 -0.50 118.70 127.17 1x63 s GLU 33 Ca 0.01 -0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.12 1x63 s GLU 33 Cb -0.18 -3.55 0.07 0.00 0.26 0.00 0.00 34.13 30.72 1x63 s GLU 33 CO -0.12 0.02 0.02 -0.47 -0.54 0.00 0.00 175.26 174.16 1x63 s TYR 34 N 1.18 1.56 -1.48 5.30 6.14 0.84 -4.82 117.35 126.08 1x63 s TYR 34 Ca 0.09 -1.27 -0.11 0.00 0.64 0.00 0.00 57.07 56.42 1x63 s TYR 34 Cb -0.14 -1.30 0.06 0.00 0.42 0.00 0.00 41.96 41.00 1x63 s TYR 34 CO 0.06 -0.70 0.94 1.63 0.64 0.00 0.00 175.55 178.12 1x63 n LYS 35 N 4.90 -5.57 0.00 4.97 5.02 -1.26 -3.24 118.16 122.98 1x63 n LYS 35 Ca -0.09 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1x63 n LYS 35 Cb 0.45 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 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 -1.69 2.11 3.53 0.72 0.00 -1.26 -5.04 105.19 103.55 1x63 n GLY 36 Ca -0.03 -0.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 1x63 n GLY 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x63 n THR 37 N 0.00 1.99 -4.30 2.61 -1.04 -1.20 -4.90 114.28 107.43 1x63 n THR 37 Ca 0.00 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.05 61.30 1x63 n THR 37 Cb 0.00 -0.74 -0.16 0.00 -1.82 0.00 0.00 70.33 67.61 1x63 n THR 37 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1x63 s VAL 38 N -1.19 0.71 -0.15 12.58 0.11 -1.26 -0.11 120.40 131.09 1x63 s VAL 38 Ca 0.61 -0.24 -0.00 0.00 -2.93 0.00 0.00 61.98 59.42 1x63 s VAL 38 Cb -0.69 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 1x63 s VAL 38 CO 0.58 0.26 -0.13 0.26 -3.33 0.00 0.00 175.10 172.74 1x63 s TRP 39 N 0.74 2.81 0.32 1.54 0.51 0.35 -3.64 118.94 121.56 1x63 s TRP 39 Ca -0.11 -0.92 -0.27 0.00 -2.12 0.00 0.00 56.10 52.68 1x63 s TRP 39 Cb -0.14 -1.90 -0.14 0.00 -0.81 0.00 0.00 33.47 30.48 1x63 s TRP 39 CO 0.01 -0.41 0.86 0.72 -0.51 0.00 0.00 176.95 177.63 1x63 n HIS 40 N 3.99 0.72 -0.15 -1.98 8.25 -1.26 -0.44 115.22 124.34 1x63 n HIS 40 Ca -0.19 0.70 0.25 0.00 -0.26 0.00 0.00 57.72 58.23 1x63 n HIS 40 Cb 0.52 -2.16 0.40 0.00 1.12 0.00 0.00 29.99 29.87 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 1.59 0.00 0.00 -0.41 3.64 -1.06 1.45 116.57 121.78 1x63 h LYS 41 Ca -0.39 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.62 1x63 h LYS 41 Cb 1.36 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.11 1x63 h LYS 41 CO 0.58 0.00 -2.42 -0.25 -2.27 0.00 0.00 179.45 175.09 1x63 n ASP 42 N -3.19 0.83 -0.14 4.20 9.92 -1.26 -2.94 116.55 123.97 1x63 n ASP 42 Ca 0.21 -0.06 -0.10 0.00 -0.53 0.00 0.00 54.79 54.30 1x63 n ASP 42 Cb 1.46 0.42 -0.01 0.00 -0.64 0.00 0.00 41.12 42.34 1x63 n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x63 n PHE 44 N -4.42 1.44 -4.43 0.00 7.35 0.66 -4.86 117.46 113.20 1x63 n PHE 44 Ca -0.01 0.11 -0.25 0.00 -0.76 0.00 0.00 57.45 56.54 1x63 n PHE 44 Cb 0.30 -2.64 -0.09 0.00 0.35 0.00 0.00 39.48 37.40 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 11.90 2.44 0.79 -2.13 -4.23 -1.26 -0.00 115.64 123.15 1x63 s THR 45 Ca 0.99 -2.08 -0.12 0.00 -1.18 0.00 0.00 61.69 59.31 1x63 s THR 45 Cb -0.22 -2.73 0.07 0.00 1.34 0.00 0.00 72.50 70.96 1x63 s THR 45 CO 0.27 -0.20 1.11 0.00 -0.54 0.00 0.00 174.62 175.27 1x63 n SER 47 N -3.35 0.70 -0.05 0.00 7.64 -0.99 -3.41 113.62 114.15 1x63 n SER 47 Ca 0.07 -0.02 -0.04 0.00 1.01 0.00 0.00 58.87 59.89 1x63 n SER 47 Cb 0.57 1.84 -0.01 0.00 -1.01 0.00 0.00 64.21 65.60 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 -2.14 1.22 0.13 6.43 5.15 -1.26 -4.62 115.26 120.16 1x63 n ASN 48 Ca -0.03 0.37 0.09 0.00 -0.60 0.00 0.00 54.58 54.40 1x63 n ASN 48 Cb 0.49 -0.70 0.03 0.00 -0.53 0.00 0.00 39.78 39.07 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 -2.89 -5.52 -4.71 0.00 4.76 -1.22 -4.96 118.16 103.62 1x63 n LYS 50 Ca -0.00 0.66 -0.33 0.00 -2.87 0.00 0.00 58.31 55.77 1x63 n LYS 50 Cb 0.62 -5.15 -0.15 0.00 -1.84 0.00 0.00 35.03 28.51 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 -5.35 3.33 -0.45 1.97 -0.21 -1.26 -4.64 119.66 113.05 1x63 s GLN 51 Ca 0.14 -0.71 -0.43 0.00 0.02 0.00 0.00 55.36 54.38 1x63 s GLN 51 Cb -0.06 -2.63 -0.17 0.00 1.00 0.00 0.00 33.01 31.15 1x63 s GLN 51 CO 0.57 0.15 2.03 0.28 -2.12 0.00 0.00 175.29 176.20 1x63 n VAL 52 N 3.70 0.06 0.00 1.09 0.31 -1.26 -2.54 118.33 119.69 1x63 n VAL 52 Ca -0.18 -0.05 -0.22 0.00 -0.01 0.00 0.00 64.34 63.88 1x63 n VAL 52 Cb 0.52 -0.77 -0.14 0.00 -0.91 0.00 0.00 33.84 32.55 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 6.54 0.67 -0.36 2.52 2.04 -0.68 -3.48 117.51 124.76 1x63 h ILE 53 Ca -0.22 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1x63 h ILE 53 Cb 1.39 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1x63 h ILE 53 CO 1.05 0.85 0.00 0.61 0.00 0.00 0.00 178.15 180.66 1x63 n GLY 54 N 1.94 0.68 0.42 5.37 0.00 -1.02 -1.63 105.19 110.94 1x63 n GLY 54 Ca -0.31 -0.86 0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.21 -1.08 2.61 -2.24 -1.26 -4.57 114.28 107.53 1x63 n THR 55 Ca 0.00 1.54 -0.35 0.00 -2.27 0.00 0.00 64.05 62.96 1x63 n THR 55 Cb 0.00 -2.52 0.02 0.00 -2.10 0.00 0.00 70.33 65.73 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 -1.46 -3.55 3.76 3.38 0.00 -0.65 -4.86 105.19 101.82 1x63 n GLY 56 Ca 0.35 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.94 5.27 0.17 1.61 0.01 -1.26 -5.00 113.70 113.57 1x63 s SER 57 Ca 0.47 2.20 0.02 0.00 1.31 0.00 0.00 55.95 59.96 1x63 s SER 57 Cb -0.35 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.29 1x63 s SER 57 CO 0.68 -1.53 0.18 2.22 0.41 0.00 0.00 173.24 175.20 1x63 n PHE 58 N -1.81 -0.59 -3.50 2.43 -1.74 -1.26 -3.31 117.46 107.68 1x63 n PHE 58 Ca 0.12 -1.38 -0.21 0.00 -0.56 0.00 0.00 57.45 55.42 1x63 n PHE 58 Cb 0.51 0.19 -0.13 0.00 1.52 0.00 0.00 39.48 41.57 1x63 n PHE 58 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1x63 s PHE 59 N -3.08 -0.15 -0.24 2.97 0.40 0.22 -4.76 117.98 113.34 1x63 s PHE 59 Ca 0.19 -0.13 -0.29 0.00 -0.60 0.00 0.00 56.93 56.10 1x63 s PHE 59 Cb 0.01 -0.52 -0.02 0.00 0.51 0.00 0.00 43.02 42.99 1x63 s PHE 59 CO 0.13 -0.70 1.62 -1.25 0.70 0.00 0.00 175.22 175.73 1x63 s PRO 60 N 2.27 3.74 -0.01 0.24 0.04 -1.26 -2.17 135.00 137.85 1x63 s PRO 60 Ca 0.07 1.60 0.06 0.00 0.04 0.00 0.00 61.00 62.77 1x63 s PRO 60 Cb -0.15 -4.05 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 1x63 s PRO 60 CO -0.20 -1.37 -0.18 0.15 0.04 0.00 0.00 177.00 175.44 1x63 s LYS 61 N 4.79 1.42 0.00 4.56 -0.14 -1.12 -5.01 119.74 124.24 1x63 s LYS 61 Ca 0.72 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 54.65 1x63 s LYS 61 Cb -0.24 -1.39 0.00 0.00 -1.68 0.00 0.00 37.83 34.52 1x63 s LYS 61 CO 0.30 0.38 0.00 0.41 -0.76 0.00 0.00 175.35 175.68 1x63 n GLY 62 N 2.53 1.13 2.40 -3.33 0.00 -1.26 -0.06 105.19 106.60 1x63 n GLY 62 Ca -0.15 0.63 -0.14 0.00 0.00 0.00 0.00 46.02 46.36 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 2.75 -4.15 1.61 4.07 -1.26 -5.07 120.64 118.59 1x63 n GLU 63 Ca 0.00 -3.89 -0.16 0.00 -0.06 0.00 0.00 57.16 53.05 1x63 n GLU 63 Cb 0.00 -1.97 -0.05 0.00 -0.06 0.00 0.00 31.44 29.36 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1x63 s ASP 64 N -3.65 1.17 -0.33 4.31 1.01 0.91 -5.07 116.67 115.02 1x63 s ASP 64 Ca 0.40 -1.58 0.01 0.00 0.71 0.00 0.00 52.55 52.09 1x63 s ASP 64 Cb 0.38 0.63 0.10 0.00 1.01 0.00 0.00 42.92 45.04 1x63 s ASP 64 CO -0.01 -1.23 0.10 -0.36 0.21 0.00 0.00 175.17 173.89 1x63 s PHE 65 N -3.16 2.22 0.07 4.23 0.08 -1.26 -2.79 117.98 117.38 1x63 s PHE 65 Ca 0.34 -2.10 -0.20 0.00 0.12 0.00 0.00 56.93 55.09 1x63 s PHE 65 Cb 0.00 -2.02 -0.07 0.00 -0.57 0.00 0.00 43.02 40.37 1x63 s PHE 65 CO 0.23 -0.89 0.58 0.71 -0.10 0.00 0.00 175.22 175.76 1x63 s TYR 66 N 1.34 3.81 0.45 0.36 1.51 -0.92 -2.34 117.35 121.55 1x63 s TYR 66 Ca 0.11 1.29 -0.14 0.00 -1.01 0.00 0.00 57.07 57.32 1x63 s TYR 66 Cb -0.18 -2.52 -0.08 0.00 -0.11 0.00 0.00 41.96 39.07 1x63 s TYR 66 CO -0.19 0.57 0.87 0.00 -1.11 0.00 0.00 175.55 175.69 1x63 n VAL 68 N -1.29 -0.07 -0.09 0.00 0.31 -1.21 -1.05 118.33 114.92 1x63 n VAL 68 Ca 0.05 1.11 -0.03 0.00 -0.01 0.00 0.00 64.34 65.45 1x63 n VAL 68 Cb 0.54 -1.45 -0.03 0.00 -0.91 0.00 0.00 33.84 31.99 1x63 n VAL 68 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1x63 h THR 69 N 0.00 0.00 -0.98 2.52 2.02 -1.93 0.82 112.91 115.36 1x63 h THR 69 Ca 0.02 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.44 1x63 h THR 69 Cb 0.04 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.27 1x63 h THR 69 CO -0.09 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.71 1x63 h HIS 71 N 0.00 0.12 -0.29 0.00 2.76 0.85 0.65 115.15 119.24 1x63 h HIS 71 Ca 0.54 -0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.56 1x63 h HIS 71 Cb 1.02 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 1x63 h HIS 71 CO -0.60 0.60 -0.31 0.93 -1.30 0.00 0.00 177.93 177.24 1x63 h GLU 72 N 0.08 0.62 0.00 5.26 4.39 0.93 -0.24 114.58 125.62 1x63 h GLU 72 Ca -0.00 -0.27 -0.29 0.00 0.34 0.00 0.00 59.36 59.13 1x63 h GLU 72 Cb 0.95 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.53 1x63 h GLU 72 CO 0.07 0.85 -1.85 -2.37 -1.16 0.00 0.00 179.01 174.56 1x63 n THR 73 N -4.08 1.49 0.08 1.13 5.66 0.56 -3.24 114.28 115.89 1x63 n THR 73 Ca -0.01 -0.80 -0.10 0.00 -3.05 0.00 0.00 64.05 60.10 1x63 n THR 73 Cb 0.47 -0.85 -0.07 0.00 -1.55 0.00 0.00 70.33 68.33 1x63 n THR 73 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1x63 h LYS 74 N 0.00 -0.28 0.00 1.09 3.64 0.32 -3.41 116.57 117.94 1x63 h LYS 74 Ca -0.33 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1x63 h LYS 74 Cb 2.02 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 1x63 h LYS 74 CO 0.06 0.08 0.00 1.19 -2.27 0.00 0.00 179.45 178.51 1x63 n PHE 75 N -4.97 0.00 -0.53 1.91 3.72 -0.13 -5.00 117.46 112.46 1x63 n PHE 75 Ca -0.07 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.08 1x63 n PHE 75 Cb 0.24 -0.09 0.18 0.00 -0.94 0.00 0.00 39.48 38.87 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 -1.72 -2.63 -2.06 4.37 0.00 -1.03 -4.86 120.51 112.57 1x63 n ALA 76 Ca 0.00 -1.27 -0.42 0.00 0.00 0.00 0.00 53.44 51.76 1x63 n ALA 76 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1x63 n ALA 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x63 s SER 77 N -2.09 6.82 0.00 0.00 1.04 -1.23 -4.35 113.70 113.88 1x63 s SER 77 Ca 0.48 2.41 0.00 0.00 0.48 0.00 0.00 55.95 59.32 1x63 s SER 77 Cb -0.09 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1x63 s SER 77 CO 0.49 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1x63 n GLY 78 N 2.97 2.25 3.69 7.32 0.00 -1.26 -4.64 105.19 115.53 1x63 n GLY 78 Ca 0.09 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 2.85 4.28 0.12 1.61 0.04 -1.26 -4.94 135.00 137.71 1x63 s PRO 79 Ca 0.00 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 1x63 s PRO 79 Cb 0.00 -3.51 -0.07 0.00 0.04 0.00 0.00 34.50 30.96 1x63 s PRO 79 CO 0.00 -0.56 1.60 0.77 0.04 0.00 0.00 177.00 178.85 1x63 h SER 80 N 7.67 -1.14 -3.02 6.66 0.02 -2.03 -3.41 113.55 118.29 1x63 h SER 80 Ca -0.39 0.14 -0.58 0.00 -0.84 0.00 0.00 61.79 60.12 1x63 h SER 80 Cb 1.19 0.45 0.13 0.00 0.14 0.00 0.00 62.40 64.31 1x63 h SER 80 CO 0.90 -0.43 0.12 -0.24 -1.14 0.00 0.00 176.83 176.04 1x63 n SER 81 N -5.44 1.10 0.00 3.07 2.88 -1.26 -5.28 113.62 108.69 1x63 n SER 81 Ca -0.05 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1x63 n SER 81 Cb 0.35 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1x63 n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42