#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f63 s VAL 2 N 0.00 1.35 -0.63 12.58 1.01 -1.26 -1.94 120.40 131.51 2f63 s VAL 2 Ca 0.00 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 2f63 s VAL 2 Cb 0.00 -1.20 0.11 0.00 0.00 0.00 0.00 36.38 35.29 2f63 s VAL 2 CO 0.00 0.09 0.76 0.00 0.00 0.00 0.00 175.10 175.95 2f63 s ALA 3 N -0.82 3.42 -1.34 5.51 0.00 -0.16 -3.00 121.76 125.37 2f63 s ALA 3 Ca 0.04 -2.30 -0.17 0.00 0.00 0.00 0.00 51.96 49.54 2f63 s ALA 3 Cb -0.08 -3.59 0.07 0.00 0.00 0.00 0.00 23.12 19.52 2f63 s ALA 3 CO 0.01 -2.42 1.85 0.66 0.00 0.00 0.00 175.76 175.87 2f63 n TYR 4 N 6.33 4.39 -2.59 0.00 4.02 -1.05 -2.86 117.16 125.39 2f63 n TYR 4 Ca -0.06 -2.89 -0.28 0.00 -0.01 0.00 0.00 57.90 54.66 2f63 n TYR 4 Cb 0.43 -2.60 -0.01 0.00 -0.02 0.00 0.00 39.34 37.14 2f63 n TYR 4 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2f63 s ILE 5 N 3.88 4.86 -0.25 -0.72 -1.09 -1.24 -2.17 121.20 124.46 2f63 s ILE 5 Ca 0.52 0.38 -0.02 0.00 -2.23 0.00 0.00 60.65 59.31 2f63 s ILE 5 Cb 0.06 -3.84 0.08 0.00 -1.58 0.00 0.00 42.46 37.19 2f63 s ILE 5 CO 0.04 -0.81 0.06 0.00 -1.23 0.00 0.00 174.94 172.99 2f63 s ALA 6 N -2.71 1.32 0.20 9.38 0.00 -1.25 -3.14 121.76 125.55 2f63 s ALA 6 Ca 0.49 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2f63 s ALA 6 Cb -0.10 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 2f63 s ALA 6 CO 0.43 -1.42 0.34 0.42 0.00 0.00 0.00 175.76 175.53 2f63 s ILE 7 N 1.72 5.27 0.07 0.00 1.01 -1.26 -4.29 121.20 123.72 2f63 s ILE 7 Ca 0.04 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.80 2f63 s ILE 7 Cb -0.17 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.56 2f63 s ILE 7 CO -0.17 -0.20 0.44 -0.83 0.00 0.00 0.00 174.94 174.18 2f63 s GLY 8 N -3.48 -0.32 -0.28 6.18 0.00 -1.24 -3.64 107.32 104.54 2f63 s GLY 8 Ca 0.35 0.30 -0.22 0.00 0.00 0.00 0.00 44.72 45.15 2f63 s GLY 8 CO 0.29 0.02 0.85 -0.45 0.00 0.00 0.00 173.10 173.82 2f63 s SER 9 N -2.23 -0.66 0.00 1.64 0.15 -1.14 -3.52 113.70 107.95 2f63 s SER 9 Ca -0.03 1.19 0.00 0.00 0.70 0.00 0.00 55.95 57.81 2f63 s SER 9 Cb -0.00 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.54 2f63 s SER 9 CO -0.05 -0.20 0.00 -0.46 1.20 0.00 0.00 173.24 173.73 2f63 n ASN 10 N 3.02 0.00 -1.87 5.45 0.23 -1.24 -2.23 115.26 118.62 2f63 n ASN 10 Ca -0.15 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 53.70 2f63 n ASN 10 Cb 0.56 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.41 2f63 n ASN 10 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2f63 n LEU 11 N -0.58 5.89 -2.67 -4.53 7.99 -1.26 -4.53 117.00 117.30 2f63 n LEU 11 Ca 0.00 -3.93 -0.04 0.00 -0.01 0.00 0.00 56.01 52.03 2f63 n LEU 11 Cb 0.00 -0.75 0.04 0.00 -0.11 0.00 0.00 43.42 42.59 2f63 n LEU 11 CO 0.00 1.32 0.62 0.00 -1.51 0.00 0.00 177.39 177.82 2f63 n ALA 12 N -1.05 -1.92 -2.95 -1.18 0.00 -1.26 -4.89 120.51 107.25 2f63 n ALA 12 Ca 0.50 -0.60 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 2f63 n ALA 12 Cb 1.18 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.17 2f63 n ALA 12 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2f63 n SER 13 N -0.28 -6.94 0.23 0.00 3.41 -1.26 -4.16 113.62 104.61 2f63 n SER 13 Ca -0.18 0.94 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 2f63 n SER 13 Cb 0.70 -3.43 0.64 0.00 -0.26 0.00 0.00 64.21 61.86 2f63 n SER 13 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2f63 h PRO 14 N 3.48 0.00 0.17 4.33 0.13 -1.87 -0.54 132.00 137.70 2f63 h PRO 14 Ca -0.03 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.79 2f63 h PRO 14 Cb 0.52 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.67 2f63 h PRO 14 CO 0.04 0.00 -1.45 1.25 -0.23 0.00 0.00 178.00 177.61 2f63 h LEU 15 N 0.00 0.57 0.21 1.56 5.85 -1.91 -3.33 115.31 118.27 2f63 h LEU 15 Ca 0.00 -0.67 -0.28 0.00 0.84 0.00 0.00 57.88 57.76 2f63 h LEU 15 Cb 0.36 -0.19 0.03 0.00 0.37 0.00 0.00 40.66 41.24 2f63 h LEU 15 CO 0.00 1.54 -1.25 -0.33 -0.34 0.00 0.00 178.44 178.06 2f63 h GLU 16 N 0.10 0.44 -0.06 1.25 4.39 -1.39 -3.17 114.58 116.15 2f63 h GLU 16 Ca -0.22 -0.76 0.02 0.00 0.34 0.00 0.00 59.36 58.73 2f63 h GLU 16 Cb 2.06 0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 30.99 2f63 h GLU 16 CO 0.21 1.36 0.20 1.96 -1.16 0.00 0.00 179.01 181.58 2f63 h GLN 17 N -0.06 0.00 0.12 2.33 1.08 -1.54 -1.97 115.11 115.08 2f63 h GLN 17 Ca -0.22 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.61 2f63 h GLN 17 Cb 1.97 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.38 2f63 h GLN 17 CO 0.22 0.00 -1.99 0.28 -0.95 0.00 0.00 178.83 176.39 2f63 n VAL 18 N -3.21 1.78 0.06 -0.54 0.31 -1.24 -3.15 118.33 112.35 2f63 n VAL 18 Ca -0.01 -0.66 -0.11 0.00 -0.01 0.00 0.00 64.34 63.54 2f63 n VAL 18 Cb 0.27 -1.72 -0.05 0.00 -0.91 0.00 0.00 33.84 31.44 2f63 n VAL 18 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2f63 h ASN 19 N 0.07 -0.65 1.76 4.52 2.35 -1.33 -2.07 115.58 120.24 2f63 h ASN 19 Ca -0.42 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2f63 h ASN 19 Cb 2.04 0.26 0.00 0.00 0.05 0.00 0.00 38.32 40.67 2f63 h ASN 19 CO 0.09 -0.29 0.00 0.00 -1.65 0.00 0.00 177.43 175.58 2f63 h ALA 20 N 0.51 1.00 -0.06 -0.83 0.00 -1.73 -2.37 119.26 115.77 2f63 h ALA 20 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2f63 h ALA 20 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2f63 h ALA 20 CO -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.05 2f63 h ALA 21 N 2.00 0.08 0.00 0.00 0.00 -1.37 0.27 119.26 120.24 2f63 h ALA 21 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2f63 h ALA 21 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2f63 h ALA 21 CO 0.00 -0.24 -0.38 1.37 0.00 0.00 0.00 179.25 180.00 2f63 h LEU 22 N -0.19 0.00 0.11 0.00 8.10 -1.47 -3.31 115.31 118.55 2f63 h LEU 22 Ca 0.02 -0.05 -0.28 0.00 0.11 0.00 0.00 57.88 57.68 2f63 h LEU 22 Cb 0.35 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.56 2f63 h LEU 22 CO 0.00 0.02 -1.35 0.50 -4.11 0.00 0.00 178.44 173.51 2f63 h LYS 23 N 0.00 0.23 0.00 0.17 1.63 -1.36 -3.29 116.57 113.95 2f63 h LYS 23 Ca 0.00 -0.39 -0.04 0.00 -0.85 0.00 0.00 60.65 59.37 2f63 h LYS 23 Cb 0.89 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 2f63 h LYS 23 CO 0.00 1.14 -0.19 0.00 -3.45 0.00 0.00 179.45 176.95 2f63 h ALA 24 N 0.60 1.05 0.00 5.00 0.00 -1.02 -2.68 119.26 122.21 2f63 h ALA 24 Ca -0.17 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2f63 h ALA 24 Cb 1.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2f63 h ALA 24 CO 0.18 0.24 -0.27 -0.07 0.00 0.00 0.00 179.25 179.32 2f63 h LEU 25 N 0.00 0.00 -0.26 0.00 3.38 -1.64 -1.73 115.31 115.05 2f63 h LEU 25 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2f63 h LEU 25 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2f63 h LEU 25 CO 0.02 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2f63 n GLY 26 N 0.38 -1.35 0.05 0.83 0.00 -1.01 -3.10 105.19 100.99 2f63 n GLY 26 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2f63 n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2f63 n ASP 27 N -1.95 1.92 -4.47 1.61 2.03 -1.03 -4.93 116.55 109.72 2f63 n ASP 27 Ca 0.04 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.93 2f63 n ASP 27 Cb 0.28 0.93 0.01 0.00 -0.72 0.00 0.00 41.12 41.61 2f63 n ASP 27 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2f63 n ILE 28 N -2.39 1.85 -2.23 5.18 2.08 -0.68 -4.88 119.36 118.29 2f63 n ILE 28 Ca -0.18 -0.50 -0.41 0.00 0.56 0.00 0.00 62.75 62.22 2f63 n ILE 28 Cb 0.82 -0.59 -0.03 0.00 -0.75 0.00 0.00 39.64 39.09 2f63 n ILE 28 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2f63 s PRO 29 N -1.60 4.40 -1.32 0.38 0.04 -1.26 -3.36 135.00 132.28 2f63 s PRO 29 Ca 0.63 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.71 2f63 s PRO 29 Cb -0.61 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 30.76 2f63 s PRO 29 CO 0.58 -0.21 0.77 0.39 0.04 0.00 0.00 177.00 178.56 2f63 n GLU 30 N 2.35 -5.22 -3.66 4.56 4.71 -1.26 -4.66 120.64 117.46 2f63 n GLU 30 Ca 0.05 0.65 -0.15 0.00 -0.01 0.00 0.00 57.16 57.70 2f63 n GLU 30 Cb 0.43 -5.29 -0.08 0.00 -1.01 0.00 0.00 31.44 25.48 2f63 n GLU 30 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2f63 s SER 31 N -4.24 -0.55 -0.30 1.62 0.01 -1.21 -0.94 113.70 108.09 2f63 s SER 31 Ca 0.08 0.89 -0.02 0.00 1.31 0.00 0.00 55.95 58.22 2f63 s SER 31 Cb -0.04 0.90 0.19 0.00 0.21 0.00 0.00 66.02 67.28 2f63 s SER 31 CO 0.80 -0.33 0.66 -2.28 0.41 0.00 0.00 173.24 172.50 2f63 s HIS 32 N -0.27 -1.51 0.34 2.43 2.46 0.13 -4.71 115.29 114.16 2f63 s HIS 32 Ca -0.04 1.48 -0.29 0.00 0.47 0.00 0.00 55.06 56.68 2f63 s HIS 32 Cb -0.03 0.49 -0.11 0.00 -0.13 0.00 0.00 32.58 32.79 2f63 s HIS 32 CO 0.03 -0.83 1.51 0.42 -2.47 0.00 0.00 174.74 173.40 2f63 s ILE 33 N 2.87 2.13 -0.09 0.89 1.01 -1.26 0.41 121.20 127.16 2f63 s ILE 33 Ca 0.17 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.83 2f63 s ILE 33 Cb -0.14 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 2f63 s ILE 33 CO -0.21 0.02 -0.23 -0.11 0.00 0.00 0.00 174.94 174.42 2f63 n LEU 34 N 1.18 1.62 -4.36 2.97 7.94 -0.84 -4.75 117.00 120.76 2f63 n LEU 34 Ca 0.04 0.26 -0.25 0.00 -1.11 0.00 0.00 56.01 54.95 2f63 n LEU 34 Cb 0.39 -0.59 -0.12 0.00 0.53 0.00 0.00 43.42 43.63 2f63 n LEU 34 CO 0.63 -0.39 -0.52 0.42 -1.11 0.00 0.00 177.39 176.42 2f63 s THR 35 N -2.57 2.02 -0.05 1.96 -4.23 -1.23 -5.06 115.64 106.48 2f63 s THR 35 Ca -0.19 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 2f63 s THR 35 Cb 0.03 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 72.00 2f63 s THR 35 CO 0.28 -0.12 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.44 2f63 s VAL 36 N -1.53 1.01 0.45 2.29 1.01 -1.26 -2.79 120.40 119.58 2f63 s VAL 36 Ca 0.14 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 2f63 s VAL 36 Cb -0.08 -0.92 0.11 0.00 0.00 0.00 0.00 36.38 35.49 2f63 s VAL 36 CO 0.07 0.32 0.44 -1.20 0.00 0.00 0.00 175.10 174.73 2f63 n SER 37 N 3.56 -1.09 -4.90 3.32 7.64 -1.04 -4.94 113.62 116.16 2f63 n SER 37 Ca -0.21 -0.85 -0.20 0.00 1.01 0.00 0.00 58.87 58.62 2f63 n SER 37 Cb 0.53 -0.39 0.06 0.00 -1.01 0.00 0.00 64.21 63.40 2f63 n SER 37 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2f63 n SER 38 N -3.63 2.14 -4.77 6.43 7.64 -1.26 -4.94 113.62 115.22 2f63 n SER 38 Ca 0.06 -2.55 -0.38 0.00 1.01 0.00 0.00 58.87 57.01 2f63 n SER 38 Cb 0.23 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 62.97 2f63 n SER 38 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2f63 s PHE 39 N -2.58 3.64 0.03 1.43 -0.12 -1.26 -4.36 117.98 114.77 2f63 s PHE 39 Ca 0.58 1.01 0.01 0.00 -0.05 0.00 0.00 56.93 58.48 2f63 s PHE 39 Cb -0.05 -2.47 -0.02 0.00 -0.63 0.00 0.00 43.02 39.86 2f63 s PHE 39 CO 0.37 0.40 -0.06 0.71 -0.05 0.00 0.00 175.22 176.58 2f63 s TYR 40 N -0.24 0.52 -0.14 3.49 1.51 -0.87 -3.39 117.35 118.23 2f63 s TYR 40 Ca 0.26 -0.46 -0.14 0.00 -1.01 0.00 0.00 57.07 55.72 2f63 s TYR 40 Cb -0.17 -0.32 -0.05 0.00 -0.11 0.00 0.00 41.96 41.32 2f63 s TYR 40 CO 0.13 -0.10 0.33 0.50 -1.11 0.00 0.00 175.55 175.30 2f63 s ARG 41 N -1.37 4.22 -0.01 -0.62 3.52 0.23 -1.29 118.95 123.63 2f63 s ARG 41 Ca -0.10 0.17 -0.25 0.00 -0.13 0.00 0.00 55.73 55.42 2f63 s ARG 41 Cb -0.09 -3.41 0.06 0.00 -1.56 0.00 0.00 34.95 29.95 2f63 s ARG 41 CO -0.00 0.27 0.56 -0.08 -0.81 0.00 0.00 175.30 175.24 2f63 s THR 42 N 0.34 0.02 -0.10 4.11 -1.32 -1.00 -3.08 115.64 114.61 2f63 s THR 42 Ca 0.19 -0.16 -0.23 0.00 -1.21 0.00 0.00 61.69 60.28 2f63 s THR 42 Cb -0.14 -0.92 -0.03 0.00 -1.51 0.00 0.00 72.50 69.90 2f63 s THR 42 CO 0.06 -0.09 0.68 -2.16 -2.21 0.00 0.00 174.62 170.90 2f63 s PRO 43 N -1.63 4.38 1.18 7.08 0.05 -1.26 -1.04 135.00 143.75 2f63 s PRO 43 Ca -0.10 0.80 -0.13 0.00 0.05 0.00 0.00 61.00 61.63 2f63 s PRO 43 Cb -0.01 -3.48 0.29 0.00 0.05 0.00 0.00 34.50 31.35 2f63 s PRO 43 CO 0.05 -0.01 1.02 -2.14 0.05 0.00 0.00 177.00 175.97 2f63 s PRO 44 N 1.08 -1.06 -0.27 0.56 0.02 -1.26 -4.99 135.00 129.08 2f63 s PRO 44 Ca 0.35 0.80 -0.03 0.00 0.02 0.00 0.00 61.00 62.14 2f63 s PRO 44 Cb -0.17 -1.54 0.09 0.00 0.02 0.00 0.00 34.50 32.90 2f63 s PRO 44 CO 0.15 -3.81 0.10 -1.17 -0.33 0.00 0.00 177.00 171.95 2f63 s LEU 45 N -7.26 1.13 0.00 -5.54 0.20 -1.26 -4.88 118.68 101.07 2f63 s LEU 45 Ca 0.69 -1.28 0.00 0.00 0.69 0.00 0.00 54.13 54.22 2f63 s LEU 45 Cb -0.25 -0.53 0.00 0.00 -0.43 0.00 0.00 46.19 44.98 2f63 s LEU 45 CO 0.65 -0.41 0.00 0.61 -0.29 0.00 0.00 176.35 176.91 2f63 n GLY 46 N 5.10 0.58 3.97 7.98 0.00 -1.26 -1.21 105.19 120.35 2f63 n GLY 46 Ca -0.05 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 2f63 n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f63 s PRO 47 N 0.00 2.44 0.00 1.61 0.04 -1.26 -4.75 135.00 133.08 2f63 s PRO 47 Ca 0.00 -1.64 0.00 0.00 0.04 0.00 0.00 61.00 59.40 2f63 s PRO 47 Cb 0.00 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2f63 s PRO 47 CO 0.00 -0.56 0.00 0.00 0.04 0.00 0.00 177.00 176.48 2f63 n GLN 48 N -1.92 0.00 0.00 4.56 10.64 -1.26 -4.13 117.38 125.27 2f63 n GLN 48 Ca 0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 2f63 n GLN 48 Cb 0.62 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.00 2f63 n GLN 48 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2f63 n ASP 49 N 1.09 0.00 -3.30 2.61 2.03 -1.26 -4.99 116.55 112.74 2f63 n ASP 49 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 2f63 n ASP 49 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 2f63 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2f63 n GLN 50 N 0.00 -2.75 -3.66 -0.67 3.00 -1.26 -5.02 117.38 107.02 2f63 n GLN 50 Ca 0.00 0.84 -0.30 0.00 -0.01 0.00 0.00 57.00 57.54 2f63 n GLN 50 Cb 0.00 -5.75 -0.04 0.00 0.00 0.00 0.00 30.24 24.45 2f63 n GLN 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2f63 s PRO 51 N -4.60 3.58 -0.69 -1.09 0.05 -1.26 -4.35 135.00 126.63 2f63 s PRO 51 Ca 0.40 -0.18 -0.34 0.00 0.05 0.00 0.00 61.00 60.92 2f63 s PRO 51 Cb -0.06 -2.83 -0.17 0.00 0.05 0.00 0.00 34.50 31.49 2f63 s PRO 51 CO 0.75 0.42 2.43 -0.40 0.05 0.00 0.00 177.00 180.25 2f63 n ASP 52 N -0.28 0.99 -4.76 6.66 5.68 -1.26 -4.27 116.55 119.31 2f63 n ASP 52 Ca -0.03 0.26 -0.20 0.00 -0.50 0.00 0.00 54.79 54.31 2f63 n ASP 52 Cb 0.53 -1.06 0.05 0.00 -1.14 0.00 0.00 41.12 39.49 2f63 n ASP 52 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2f63 n TYR 53 N 10.34 -1.87 -4.20 2.11 0.18 -0.21 -4.78 117.16 118.73 2f63 n TYR 53 Ca 0.55 -2.06 -0.34 0.00 1.88 0.00 0.00 57.90 57.93 2f63 n TYR 53 Cb 0.11 -0.50 -0.14 0.00 -0.38 0.00 0.00 39.34 38.44 2f63 n TYR 53 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 2f63 s LEU 54 N 0.00 2.97 0.02 -3.48 2.96 -0.95 -2.37 118.68 117.83 2f63 s LEU 54 Ca 0.50 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 2f63 s LEU 54 Cb -0.04 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2f63 s LEU 54 CO 0.32 0.06 -0.07 0.54 -1.32 0.00 0.00 176.35 175.88 2f63 s ASN 55 N 0.98 4.62 -0.30 3.68 4.22 -0.41 -3.53 114.94 124.20 2f63 s ASN 55 Ca -0.00 -0.17 -0.12 0.00 -2.14 0.00 0.00 52.86 50.43 2f63 s ASN 55 Cb -0.15 -1.06 0.18 0.00 1.28 0.00 0.00 41.25 41.51 2f63 s ASN 55 CO 0.00 0.27 1.06 0.00 -2.04 0.00 0.00 177.10 176.39 2f63 s ALA 56 N -1.03 -3.95 1.07 3.54 0.00 -1.24 -2.04 121.76 118.10 2f63 s ALA 56 Ca 0.18 1.36 -0.13 0.00 0.00 0.00 0.00 51.96 53.37 2f63 s ALA 56 Cb -0.11 -2.78 0.23 0.00 0.00 0.00 0.00 23.12 20.46 2f63 s ALA 56 CO 0.09 -1.98 1.07 0.00 0.00 0.00 0.00 175.76 174.95 2f63 s ALA 57 N 2.96 0.48 -0.30 0.00 0.00 -1.26 -4.17 121.76 119.47 2f63 s ALA 57 Ca 0.22 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 2f63 s ALA 57 Cb -0.03 -3.12 0.14 0.00 0.00 0.00 0.00 23.12 20.10 2f63 s ALA 57 CO -0.20 -3.22 0.78 0.54 0.00 0.00 0.00 175.76 173.66 2f63 s VAL 58 N -2.84 -0.67 -0.68 0.00 0.11 -1.19 -2.49 120.40 112.64 2f63 s VAL 58 Ca 0.67 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.45 2f63 s VAL 58 Cb -0.19 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.68 2f63 s VAL 58 CO 0.59 0.00 1.38 0.00 -3.33 0.00 0.00 175.10 173.74 2f63 s ALA 59 N 2.52 2.69 -0.41 1.54 0.00 -1.12 -3.68 121.76 123.31 2f63 s ALA 59 Ca -0.06 -1.13 -0.23 0.00 0.00 0.00 0.00 51.96 50.55 2f63 s ALA 59 Cb -0.09 -4.23 0.02 0.00 0.00 0.00 0.00 23.12 18.82 2f63 s ALA 59 CO -0.18 -3.29 0.79 -1.17 0.00 0.00 0.00 175.76 171.91 2f63 s LEU 60 N 6.23 4.18 -0.94 0.00 2.96 -1.14 -1.99 118.68 127.98 2f63 s LEU 60 Ca 0.43 0.13 -0.24 0.00 -0.22 0.00 0.00 54.13 54.23 2f63 s LEU 60 Cb -0.09 -3.00 -0.00 0.00 0.50 0.00 0.00 46.19 43.60 2f63 s LEU 60 CO 0.18 -0.82 1.72 -0.70 -1.32 0.00 0.00 176.35 175.41 2f63 s GLU 61 N 3.21 3.01 0.02 1.98 2.12 0.17 -0.99 118.70 128.22 2f63 s GLU 61 Ca 0.31 -0.62 0.07 0.00 0.36 0.00 0.00 54.97 55.09 2f63 s GLU 61 Cb -0.13 -5.16 -0.03 0.00 0.26 0.00 0.00 34.13 29.08 2f63 s GLU 61 CO 0.20 -2.84 -0.21 -0.08 -0.54 0.00 0.00 175.26 171.79 2f63 s THR 62 N 7.79 2.56 -1.21 -1.70 -1.32 -0.82 0.20 115.64 121.14 2f63 s THR 62 Ca 0.59 -1.17 0.11 0.00 -1.21 0.00 0.00 61.69 60.02 2f63 s THR 62 Cb -0.04 -2.02 0.20 0.00 -1.51 0.00 0.00 72.50 69.12 2f63 s THR 62 CO -0.04 0.41 1.05 -1.20 -2.21 0.00 0.00 174.62 172.63 2f63 n SER 63 N 1.83 2.43 -4.78 8.08 7.64 -0.31 -4.26 113.62 124.25 2f63 n SER 63 Ca -0.16 -1.72 -0.36 0.00 1.01 0.00 0.00 58.87 57.63 2f63 n SER 63 Cb 0.52 -0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 2f63 n SER 63 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2f63 s LEU 64 N -0.98 3.93 0.07 -3.43 1.98 -0.11 -4.92 118.68 115.22 2f63 s LEU 64 Ca 0.18 2.15 -0.37 0.00 -2.89 0.00 0.00 54.13 53.20 2f63 s LEU 64 Cb 0.11 -4.38 -0.18 0.00 0.66 0.00 0.00 46.19 42.40 2f63 s LEU 64 CO 0.15 -0.90 1.24 0.00 -1.89 0.00 0.00 176.35 174.96 2f63 n ALA 65 N -0.72 -1.74 0.07 5.97 0.00 -1.26 -4.67 120.51 118.15 2f63 n ALA 65 Ca 0.08 0.54 0.04 0.00 0.00 0.00 0.00 53.44 54.10 2f63 n ALA 65 Cb 0.50 -1.98 0.23 0.00 0.00 0.00 0.00 19.45 18.20 2f63 n ALA 65 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2f63 n PRO 66 N 2.17 0.05 -0.09 0.00 -0.02 -1.26 -0.08 135.00 135.78 2f63 n PRO 66 Ca 0.19 0.53 -0.12 0.00 -2.02 0.00 0.00 63.50 62.07 2f63 n PRO 66 Cb 0.16 -1.73 -0.15 0.00 -0.02 0.00 0.00 33.50 31.77 2f63 n PRO 66 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2f63 n GLU 67 N -1.78 0.68 0.07 -0.52 0.28 -1.26 -4.34 120.64 113.77 2f63 n GLU 67 Ca -0.01 0.10 0.05 0.00 -0.16 0.00 0.00 57.16 57.14 2f63 n GLU 67 Cb 0.06 -1.58 -0.04 0.00 1.43 0.00 0.00 31.44 31.31 2f63 n GLU 67 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2f63 h GLU 68 N 0.00 0.00 0.20 3.44 4.81 -1.63 -3.33 114.58 118.08 2f63 h GLU 68 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2f63 h GLU 68 Cb 2.12 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.47 2f63 h GLU 68 CO 0.02 0.16 -0.39 1.25 -0.73 0.00 0.00 179.01 179.32 2f63 h LEU 69 N 0.00 -1.14 -0.48 1.64 5.85 -0.68 1.30 115.31 121.80 2f63 h LEU 69 Ca -0.08 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2f63 h LEU 69 Cb 1.31 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 42.71 2f63 h LEU 69 CO 0.03 -0.45 0.26 0.25 -0.34 0.00 0.00 178.44 178.18 2f63 h LEU 70 N -0.64 0.39 -1.54 2.25 5.85 -1.76 0.20 115.31 120.04 2f63 h LEU 70 Ca -0.02 0.02 0.25 0.00 0.84 0.00 0.00 57.88 58.96 2f63 h LEU 70 Cb 0.61 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 2f63 h LEU 70 CO -0.15 0.27 0.65 0.78 -0.34 0.00 0.00 178.44 179.65 2f63 h ASN 71 N 0.51 0.35 0.05 1.25 -0.26 -1.49 0.28 115.58 116.26 2f63 h ASN 71 Ca 0.20 0.05 -0.24 0.00 -0.56 0.00 0.00 56.30 55.75 2f63 h ASN 71 Cb 0.08 -0.01 0.02 0.00 -1.06 0.00 0.00 38.32 37.35 2f63 h ASN 71 CO -0.13 0.10 -0.96 1.12 -1.06 0.00 0.00 177.43 176.50 2f63 h HIS 72 N 0.33 0.87 -0.01 1.19 2.07 0.44 -3.10 115.15 116.94 2f63 h HIS 72 Ca 0.52 -0.51 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 2f63 h HIS 72 Cb 1.45 -0.08 -0.00 0.00 2.57 0.00 0.00 27.41 31.35 2f63 h HIS 72 CO -0.00 1.35 0.00 1.79 -3.07 0.00 0.00 177.93 178.00 2f63 h THR 73 N 0.14 0.83 -0.00 6.12 1.35 0.21 -0.08 112.91 121.48 2f63 h THR 73 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2f63 h THR 73 Cb 1.66 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2f63 h THR 73 CO 0.19 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 177.02 2f63 h GLN 74 N 0.00 0.00 0.00 4.72 1.08 -0.58 -0.88 115.11 119.45 2f63 h GLN 74 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2f63 h GLN 74 Cb 0.01 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2f63 h GLN 74 CO -0.00 0.00 -0.06 0.00 -0.95 0.00 0.00 178.83 177.82 2f63 h ARG 75 N 0.00 0.00 -0.49 1.46 -0.00 -1.11 -2.99 114.38 111.25 2f63 h ARG 75 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.37 2f63 h ARG 75 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 29.96 2f63 h ARG 75 CO -0.00 0.06 -0.13 0.82 0.00 0.00 0.00 179.97 180.72 2f63 h ILE 76 N 0.00 1.27 -0.02 2.04 2.04 -1.28 -0.24 117.51 121.32 2f63 h ILE 76 Ca -0.00 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.61 2f63 h ILE 76 Cb 0.65 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2f63 h ILE 76 CO 0.01 0.43 0.03 -0.33 0.00 0.00 0.00 178.15 178.29 2f63 h GLU 77 N 0.82 0.00 0.02 2.37 5.08 -1.63 0.16 114.58 121.40 2f63 h GLU 77 Ca 0.13 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.30 2f63 h GLU 77 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2f63 h GLU 77 CO 0.05 0.00 -1.04 -0.07 -1.00 0.00 0.00 179.01 176.95 2f63 h LEU 78 N 0.00 0.07 0.00 1.33 3.38 -1.46 -2.44 115.31 116.19 2f63 h LEU 78 Ca 0.01 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2f63 h LEU 78 Cb 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2f63 h LEU 78 CO -0.00 1.42 0.00 0.00 0.09 0.00 0.00 178.44 179.95 2f63 n GLN 79 N -4.36 0.02 0.04 1.13 6.02 -0.17 -1.60 117.38 118.46 2f63 n GLN 79 Ca -0.26 0.28 0.12 0.00 -0.01 0.00 0.00 57.00 57.12 2f63 n GLN 79 Cb 0.69 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.53 2f63 n GLN 79 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2f63 n GLN 80 N -1.48 0.29 -2.16 -1.09 1.13 0.52 -4.97 117.38 109.61 2f63 n GLN 80 Ca 0.03 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2f63 n GLN 80 Cb 0.14 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 28.86 2f63 n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2f63 n GLY 81 N 1.35 0.89 3.27 1.08 0.00 -0.63 -5.03 105.19 106.13 2f63 n GLY 81 Ca 0.02 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 2f63 n GLY 81 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2f63 n ARG 82 N -0.51 -3.07 -3.82 1.61 1.85 -0.92 -4.99 116.66 106.82 2f63 n ARG 82 Ca 0.00 -0.89 -0.30 0.00 -1.00 0.00 0.00 57.85 55.66 2f63 n ARG 82 Cb 0.44 -1.86 -0.14 0.00 -1.05 0.00 0.00 32.46 29.85 2f63 n ARG 82 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2f63 s VAL 83 N -2.21 1.65 -0.44 8.89 1.01 -1.26 -5.05 120.40 122.98 2f63 s VAL 83 Ca 0.60 -2.35 -0.41 0.00 0.00 0.00 0.00 61.98 59.81 2f63 s VAL 83 Cb -0.15 -2.19 -0.17 0.00 0.00 0.00 0.00 36.38 33.88 2f63 s VAL 83 CO 0.57 -0.76 2.10 -2.11 0.00 0.00 0.00 175.10 174.90 2f63 n ARG 84 N 3.94 0.39 -4.04 2.72 1.85 -1.26 -4.91 116.66 115.36 2f63 n ARG 84 Ca 0.04 0.11 -0.12 0.00 -1.00 0.00 0.00 57.85 56.88 2f63 n ARG 84 Cb 0.37 -1.83 -0.04 0.00 -1.05 0.00 0.00 32.46 29.92 2f63 n ARG 84 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2f63 s LYS 85 N 5.73 1.81 -0.29 2.89 1.02 -1.26 -5.10 119.74 124.54 2f63 s LYS 85 Ca 1.15 -1.58 -0.28 0.00 0.02 0.00 0.00 55.97 55.27 2f63 s LYS 85 Cb -1.28 0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 36.46 2f63 s LYS 85 CO 0.62 -0.75 1.87 0.00 -0.92 0.00 0.00 175.35 176.16 2f63 s ALA 86 N -3.31 2.90 -0.29 5.17 0.00 -1.26 -4.94 121.76 120.04 2f63 s ALA 86 Ca 0.27 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.66 2f63 s ALA 86 Cb -0.01 -4.00 0.09 0.00 0.00 0.00 0.00 23.12 19.20 2f63 s ALA 86 CO 0.16 -2.56 0.04 -2.00 0.00 0.00 0.00 175.76 171.39 2f63 s GLU 87 N 5.66 1.18 -0.17 0.00 -6.30 -1.26 -4.51 118.70 113.31 2f63 s GLU 87 Ca 0.83 -1.23 -0.14 0.00 -2.50 0.00 0.00 54.97 51.93 2f63 s GLU 87 Cb -0.25 -2.50 -0.07 0.00 0.00 0.00 0.00 34.13 31.31 2f63 s GLU 87 CO 0.34 -0.84 -0.30 0.54 0.02 0.00 0.00 175.26 175.02 2f63 n ARG 88 N 4.64 0.46 0.00 4.30 3.00 -1.26 -4.89 116.66 122.92 2f63 n ARG 88 Ca -0.04 0.19 0.00 0.00 -0.01 0.00 0.00 57.85 57.99 2f63 n ARG 88 Cb 0.43 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.59 2f63 n ARG 88 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2f63 n TRP 89 N -4.22 0.00 -1.43 -1.55 8.01 -1.26 -5.07 117.44 111.92 2f63 n TRP 89 Ca -0.23 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.66 2f63 n TRP 89 Cb 0.56 0.00 0.22 0.00 -2.01 0.00 0.00 31.31 30.08 2f63 n TRP 89 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2f63 s GLY 90 N -3.37 1.66 -0.13 6.99 0.00 -0.35 -4.81 107.32 107.32 2f63 s GLY 90 Ca 0.00 -1.03 -0.19 0.00 0.00 0.00 0.00 44.72 43.50 2f63 s GLY 90 CO 0.00 -0.20 0.52 -0.56 0.00 0.00 0.00 173.10 172.86 2f63 h PRO 91 N -2.18 0.17 0.00 2.90 0.14 -1.85 -3.46 132.00 127.71 2f63 h PRO 91 Ca -0.45 -0.29 0.00 0.00 0.14 0.00 0.00 66.00 65.41 2f63 h PRO 91 Cb 1.27 0.11 0.00 0.00 0.14 0.00 0.00 31.00 32.52 2f63 h PRO 91 CO 0.37 1.14 0.00 -2.13 0.14 0.00 0.00 178.00 177.51 2f63 n ARG 92 N -4.11 -0.32 0.00 0.86 0.00 -1.26 -3.88 116.66 107.95 2f63 n ARG 92 Ca -0.24 0.08 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 2f63 n ARG 92 Cb 0.81 -3.89 0.00 0.00 0.00 0.00 0.00 32.46 29.37 2f63 n ARG 92 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2f63 n THR 93 N -2.09 0.00 -4.36 5.15 -2.24 -1.26 -4.66 114.28 104.82 2f63 n THR 93 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2f63 n THR 93 Cb 0.08 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.21 2f63 n THR 93 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2f63 s LEU 94 N 0.00 2.54 -0.30 3.22 2.34 -1.23 -2.88 118.68 122.37 2f63 s LEU 94 Ca 0.00 -1.04 -0.13 0.00 0.06 0.00 0.00 54.13 53.02 2f63 s LEU 94 Cb 0.00 -0.66 0.17 0.00 -0.56 0.00 0.00 46.19 45.13 2f63 s LEU 94 CO 0.00 -0.20 0.94 -0.62 -1.06 0.00 0.00 176.35 175.41 2f63 s ASP 95 N -3.33 -0.68 -0.32 1.48 -1.08 -1.25 -4.90 116.67 106.59 2f63 s ASP 95 Ca 0.23 0.79 0.03 0.00 -0.52 0.00 0.00 52.55 53.09 2f63 s ASP 95 Cb -0.00 1.72 0.09 0.00 -1.46 0.00 0.00 42.92 43.27 2f63 s ASP 95 CO 0.08 -0.13 0.02 -1.48 0.52 0.00 0.00 175.17 174.18 2f63 s LEU 96 N 2.61 4.27 0.13 -1.34 2.34 -1.26 -4.07 118.68 121.35 2f63 s LEU 96 Ca -0.01 -1.96 0.08 0.00 0.06 0.00 0.00 54.13 52.30 2f63 s LEU 96 Cb -0.08 -1.54 -0.04 0.00 -0.56 0.00 0.00 46.19 43.97 2f63 s LEU 96 CO -0.17 -0.35 -0.09 -1.81 -1.06 0.00 0.00 176.35 172.87 2f63 s ASP 97 N 1.01 4.39 -0.12 1.48 1.01 -1.26 -4.61 116.67 118.57 2f63 s ASP 97 Ca 0.07 -0.43 -0.29 0.00 0.71 0.00 0.00 52.55 52.60 2f63 s ASP 97 Cb -0.19 -0.82 -0.03 0.00 1.01 0.00 0.00 42.92 42.89 2f63 s ASP 97 CO -0.09 0.15 1.33 -0.63 0.21 0.00 0.00 175.17 176.15 2f63 s ILE 98 N -1.37 4.11 -0.24 0.77 -1.09 -1.26 -3.83 121.20 118.29 2f63 s ILE 98 Ca 0.23 1.37 0.10 0.00 -2.23 0.00 0.00 60.65 60.11 2f63 s ILE 98 Cb -0.10 -3.88 -0.13 0.00 -1.58 0.00 0.00 42.46 36.76 2f63 s ILE 98 CO 0.14 -0.10 0.32 0.23 -1.23 0.00 0.00 174.94 174.31 2f63 n MET 99 N 6.43 2.10 -3.05 2.79 2.81 -0.92 -3.70 117.12 123.59 2f63 n MET 99 Ca 0.14 -0.04 0.02 0.00 -1.81 0.00 0.00 57.70 56.01 2f63 n MET 99 Cb 0.45 -1.10 -0.00 0.00 -0.71 0.00 0.00 33.22 31.86 2f63 n MET 99 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2f63 s LEU 100 N -3.06 -1.00 -0.16 4.03 1.43 -1.24 -3.31 118.68 115.37 2f63 s LEU 100 Ca 0.00 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 2f63 s LEU 100 Cb 0.07 1.38 -0.04 0.00 0.03 0.00 0.00 46.19 47.62 2f63 s LEU 100 CO 0.41 -0.13 0.10 0.72 0.23 0.00 0.00 176.35 177.67 2f63 s PHE 101 N 2.19 3.38 0.00 0.29 -0.12 -1.25 -2.53 117.98 119.94 2f63 s PHE 101 Ca 0.16 0.28 0.00 0.00 -0.05 0.00 0.00 56.93 57.32 2f63 s PHE 101 Cb -0.02 -2.03 0.00 0.00 -0.63 0.00 0.00 43.02 40.33 2f63 s PHE 101 CO -0.15 0.38 0.00 0.41 -0.05 0.00 0.00 175.22 175.82 2f63 n GLY 102 N 2.97 0.80 0.32 1.99 0.00 -1.16 -3.17 105.19 106.93 2f63 n GLY 102 Ca -0.18 0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.98 2f63 n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2f63 n ASN 103 N 0.60 1.26 -4.91 1.61 6.94 -1.26 -4.83 115.26 114.67 2f63 n ASN 103 Ca 0.00 -2.61 -0.23 0.00 -0.02 0.00 0.00 54.58 51.72 2f63 n ASN 103 Cb 0.00 -0.33 -0.01 0.00 -2.36 0.00 0.00 39.78 37.08 2f63 n ASN 103 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 2f63 s GLU 104 N -1.55 2.38 -0.37 -3.83 1.03 -1.19 -4.22 118.70 110.95 2f63 s GLU 104 Ca 0.18 -1.75 0.03 0.00 0.03 0.00 0.00 54.97 53.47 2f63 s GLU 104 Cb 0.17 -2.30 0.16 0.00 -0.80 0.00 0.00 34.13 31.35 2f63 s GLU 104 CO 0.01 -0.47 0.40 0.08 -1.33 0.00 0.00 175.26 173.94 2f63 s VAL 105 N -2.63 -0.41 -0.28 1.83 1.01 -1.26 -4.77 120.40 113.89 2f63 s VAL 105 Ca 0.45 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 2f63 s VAL 105 Cb -0.03 -0.63 0.09 0.00 0.00 0.00 0.00 36.38 35.81 2f63 s VAL 105 CO 0.27 -0.51 0.11 -0.63 0.00 0.00 0.00 175.10 174.34 2f63 s ILE 106 N 1.56 0.20 -0.56 2.22 1.09 -1.26 -5.07 121.20 119.37 2f63 s ILE 106 Ca 0.16 -0.85 -0.28 0.00 -1.10 0.00 0.00 60.65 58.58 2f63 s ILE 106 Cb -0.14 -1.12 0.02 0.00 -1.06 0.00 0.00 42.46 40.16 2f63 s ILE 106 CO -0.06 -0.64 1.31 0.20 -0.10 0.00 0.00 174.94 175.64 2f63 s ASN 107 N 1.97 6.30 0.02 3.58 -0.87 -1.26 -4.43 114.94 120.25 2f63 s ASN 107 Ca 0.08 0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.60 2f63 s ASN 107 Cb -0.16 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.52 2f63 s ASN 107 CO -0.30 -1.58 0.00 0.41 -2.57 0.00 0.00 177.10 173.06 2f63 n THR 108 N 6.78 0.00 0.00 1.60 -1.04 0.14 -4.94 114.28 116.83 2f63 n THR 108 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 2f63 n THR 108 Cb 0.49 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 2f63 n THR 108 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2f63 n GLU 109 N -0.06 0.00 0.03 -2.82 -0.58 -1.26 -3.89 120.64 112.07 2f63 n GLU 109 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2f63 n GLU 109 Cb 0.00 -0.74 0.50 0.00 -0.57 0.00 0.00 31.44 30.63 2f63 n GLU 109 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2f63 n ARG 110 N -0.24 0.08 -3.30 3.49 5.12 -1.26 -4.79 116.66 115.76 2f63 n ARG 110 Ca 0.00 0.06 -0.38 0.00 -1.93 0.00 0.00 57.85 55.59 2f63 n ARG 110 Cb 0.00 -1.58 -0.06 0.00 -1.16 0.00 0.00 32.46 29.66 2f63 n ARG 110 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2f63 s LEU 111 N -3.44 4.49 -0.04 0.55 1.98 -1.25 -4.78 118.68 116.17 2f63 s LEU 111 Ca 0.12 1.17 -0.02 0.00 -2.89 0.00 0.00 54.13 52.52 2f63 s LEU 111 Cb 0.17 -2.84 0.03 0.00 0.66 0.00 0.00 46.19 44.21 2f63 s LEU 111 CO 0.58 0.24 0.09 0.42 -1.89 0.00 0.00 176.35 175.79 2f63 s THR 112 N -0.84 -0.05 0.70 3.68 -4.23 -1.26 0.28 115.64 113.92 2f63 s THR 112 Ca 0.28 0.17 -0.07 0.00 -1.18 0.00 0.00 61.69 60.89 2f63 s THR 112 Cb -0.19 -0.17 0.06 0.00 1.34 0.00 0.00 72.50 73.55 2f63 s THR 112 CO 0.17 0.07 1.01 0.68 -0.54 0.00 0.00 174.62 176.01 2f63 s VAL 113 N 0.98 2.37 0.00 2.29 -7.23 -1.26 -4.24 120.40 113.31 2f63 s VAL 113 Ca -0.08 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 2f63 s VAL 113 Cb -0.10 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.80 2f63 s VAL 113 CO -0.04 -0.04 0.00 -2.65 -0.31 0.00 0.00 175.10 172.06 2f63 n PRO 114 N -2.91 0.00 -1.99 4.82 -0.02 -1.21 -4.65 135.00 129.04 2f63 n PRO 114 Ca 0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 2f63 n PRO 114 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.06 2f63 n PRO 114 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2f63 s HIS 115 N 0.00 1.77 -0.98 6.00 2.46 -1.26 -4.82 115.29 118.46 2f63 s HIS 115 Ca 0.00 0.66 -0.12 0.00 0.47 0.00 0.00 55.06 56.07 2f63 s HIS 115 Cb 0.00 -4.11 -0.31 0.00 -0.13 0.00 0.00 32.58 28.03 2f63 s HIS 115 CO 0.00 -2.88 2.22 2.48 -2.47 0.00 0.00 174.74 174.09 2f63 n TYR 116 N 10.71 0.14 0.00 3.88 0.18 -1.26 -2.78 117.16 128.04 2f63 n TYR 116 Ca 0.23 0.03 0.00 0.00 1.88 0.00 0.00 57.90 60.04 2f63 n TYR 116 Cb 0.48 -0.83 0.00 0.00 -0.38 0.00 0.00 39.34 38.60 2f63 n TYR 116 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2f63 n ASP 117 N 6.98 0.00 -0.31 9.48 -0.08 -1.26 -4.99 116.55 126.37 2f63 n ASP 117 Ca 0.66 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.98 2f63 n ASP 117 Cb 0.15 0.00 0.19 0.00 2.34 0.00 0.00 41.12 43.80 2f63 n ASP 117 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2f63 h MET 118 N 0.00 0.81 0.00 -0.67 -0.00 -1.85 0.76 114.93 113.98 2f63 h MET 118 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2f63 h MET 118 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 31.42 2f63 h MET 118 CO 0.00 0.54 0.00 0.36 -0.00 0.00 0.00 176.91 177.81 2f63 n LYS 119 N -4.72 0.64 -0.14 -0.10 2.85 -1.26 -1.90 118.16 113.53 2f63 n LYS 119 Ca 0.15 0.02 0.09 0.00 -1.05 0.00 0.00 58.31 57.52 2f63 n LYS 119 Cb 0.31 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.33 2f63 n LYS 119 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2f63 n ASN 120 N -1.06 2.25 -3.73 -5.58 3.02 0.24 -4.93 115.26 105.47 2f63 n ASN 120 Ca 0.16 -3.19 -0.12 0.00 -0.03 0.00 0.00 54.58 51.40 2f63 n ASN 120 Cb 0.10 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 38.72 2f63 n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2f63 s ARG 121 N -2.90 0.39 0.00 3.52 1.81 -0.80 -5.02 118.95 115.96 2f63 s ARG 121 Ca 0.33 0.60 0.07 0.00 -1.72 0.00 0.00 55.73 55.01 2f63 s ARG 121 Cb 0.29 0.09 0.33 0.00 -0.45 0.00 0.00 34.95 35.22 2f63 s ARG 121 CO 0.02 -0.10 1.23 0.41 -0.68 0.00 0.00 175.30 176.17 2f63 n GLY 122 N 3.49 -0.71 0.12 -3.53 0.00 -1.26 -3.15 105.19 100.15 2f63 n GLY 122 Ca -0.18 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2f63 n GLY 122 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2f63 h PHE 123 N 0.40 0.61 0.00 1.61 3.57 -1.92 -3.27 116.94 117.93 2f63 h PHE 123 Ca 0.00 -0.44 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2f63 h PHE 123 Cb 0.09 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2f63 h PHE 123 CO 0.04 1.45 -0.38 -1.33 -2.23 0.00 0.00 178.31 175.86 2f63 n MET 124 N -3.54 0.33 -0.02 1.11 2.81 -1.20 -4.33 117.12 112.29 2f63 n MET 124 Ca -0.17 0.45 -0.11 0.00 -1.81 0.00 0.00 57.70 56.07 2f63 n MET 124 Cb 1.06 -1.45 -0.05 0.00 -0.71 0.00 0.00 33.22 32.07 2f63 n MET 124 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2f63 h LEU 125 N -0.74 -1.21 0.15 4.03 3.38 -1.64 0.53 115.31 119.81 2f63 h LEU 125 Ca 0.00 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2f63 h LEU 125 Cb 0.38 0.50 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 2f63 h LEU 125 CO 0.00 -0.40 -0.53 -0.25 0.09 0.00 0.00 178.44 177.35 2f63 h TRP 126 N -0.43 -1.54 -0.28 1.13 -0.00 -1.81 0.16 115.95 113.18 2f63 h TRP 126 Ca 0.09 0.04 -0.09 0.00 -0.00 0.00 0.00 58.89 58.93 2f63 h TRP 126 Cb 0.59 0.65 -0.01 0.00 -0.00 0.00 0.00 29.16 30.40 2f63 h TRP 126 CO -0.47 -0.61 -0.18 -1.35 -0.00 0.00 0.00 178.44 175.83 2f63 h PRO 127 N -0.78 0.61 -0.88 2.65 0.11 -1.74 -3.13 132.00 128.84 2f63 h PRO 127 Ca -0.01 -0.29 0.05 0.00 0.11 0.00 0.00 66.00 65.86 2f63 h PRO 127 Cb 0.78 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.83 2f63 h PRO 127 CO -0.27 0.87 0.58 1.25 -0.21 0.00 0.00 178.00 180.22 2f63 h LEU 128 N 0.35 0.92 -0.72 2.35 5.85 -0.83 0.18 115.31 123.40 2f63 h LEU 128 Ca 0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2f63 h LEU 128 Cb 0.71 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2f63 h LEU 128 CO 0.05 0.62 0.18 0.33 -0.34 0.00 0.00 178.44 179.27 2f63 n PHE 129 N -4.46 0.36 -0.09 1.25 7.35 0.55 -1.02 117.46 121.41 2f63 n PHE 129 Ca 0.12 0.19 -0.10 0.00 -0.76 0.00 0.00 57.45 56.90 2f63 n PHE 129 Cb 0.14 -0.67 -0.11 0.00 0.35 0.00 0.00 39.48 39.19 2f63 n PHE 129 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2f63 n GLU 130 N -1.87 1.07 0.15 -4.13 4.07 0.03 -3.85 120.64 116.11 2f63 n GLU 130 Ca -0.01 0.04 -0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2f63 n GLU 130 Cb 0.19 -1.40 0.21 0.00 -0.06 0.00 0.00 31.44 30.39 2f63 n GLU 130 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 2f63 h ILE 131 N 0.00 1.40 0.00 6.31 3.07 -0.83 -3.44 117.51 124.02 2f63 h ILE 131 Ca -0.43 -1.93 0.00 0.00 1.55 0.00 0.00 64.86 64.05 2f63 h ILE 131 Cb 1.84 2.04 0.00 0.00 -0.27 0.00 0.00 36.82 40.44 2f63 h ILE 131 CO -0.01 0.55 0.00 0.00 -1.05 0.00 0.00 178.15 177.64 2f63 n ALA 132 N -2.43 0.00 -0.20 0.16 0.00 -0.65 -4.33 120.51 113.07 2f63 n ALA 132 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 2f63 n ALA 132 Cb 0.57 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.31 2f63 n ALA 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2f63 n PRO 133 N 0.00 3.35 -0.50 0.00 -0.04 -1.25 -3.85 135.00 132.71 2f63 n PRO 133 Ca 0.00 -2.25 0.10 0.00 -0.04 0.00 0.00 63.50 61.31 2f63 n PRO 133 Cb 0.00 -1.85 0.33 0.00 -0.04 0.00 0.00 33.50 31.94 2f63 n PRO 133 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2f63 n GLU 134 N 0.72 3.21 -2.79 0.54 0.28 -1.26 -3.12 120.64 118.21 2f63 n GLU 134 Ca 0.20 -2.63 -0.39 0.00 -0.16 0.00 0.00 57.16 54.19 2f63 n GLU 134 Cb 0.79 -1.74 -0.06 0.00 1.43 0.00 0.00 31.44 31.86 2f63 n GLU 134 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2f63 s LEU 135 N -1.46 4.53 -0.08 -1.84 1.98 -1.25 -4.97 118.68 115.60 2f63 s LEU 135 Ca 0.48 1.87 -0.00 0.00 -2.89 0.00 0.00 54.13 53.58 2f63 s LEU 135 Cb 0.28 -3.72 0.02 0.00 0.66 0.00 0.00 46.19 43.44 2f63 s LEU 135 CO 0.27 0.08 -0.04 0.54 -1.89 0.00 0.00 176.35 175.31 2f63 s VAL 136 N -1.34 0.66 0.70 1.68 0.11 -1.26 -2.43 120.40 118.53 2f63 s VAL 136 Ca 0.44 -0.10 -0.17 0.00 -2.93 0.00 0.00 61.98 59.22 2f63 s VAL 136 Cb -0.23 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2f63 s VAL 136 CO 0.28 0.29 1.26 0.49 -3.33 0.00 0.00 175.10 174.09 2f63 n PHE 137 N 4.73 1.71 0.30 1.54 3.01 0.50 -4.79 117.46 124.46 2f63 n PHE 137 Ca -0.14 0.42 0.10 0.00 1.01 0.00 0.00 57.45 58.84 2f63 n PHE 137 Cb 0.50 -2.22 0.50 0.00 -0.01 0.00 0.00 39.48 38.26 2f63 n PHE 137 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2f63 h PRO 138 N 0.09 0.00 0.14 -1.08 0.13 -1.90 -1.24 132.00 128.13 2f63 h PRO 138 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2f63 h PRO 138 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2f63 h PRO 138 CO 0.51 0.00 -0.07 0.22 -0.23 0.00 0.00 178.00 178.43 2f63 h ASP 139 N 0.00 -0.16 0.00 1.44 3.58 -1.93 -3.49 116.42 115.86 2f63 h ASP 139 Ca 0.03 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2f63 h ASP 139 Cb 1.26 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.36 2f63 h ASP 139 CO -0.00 -0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.96 2f63 n GLY 140 N 0.66 0.00 3.82 -0.78 0.00 -0.47 -5.16 105.19 103.26 2f63 n GLY 140 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2f63 n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f63 s GLU 141 N 0.00 2.21 0.23 1.61 8.01 -1.26 -4.75 118.70 124.74 2f63 s GLU 141 Ca 0.00 0.58 0.01 0.00 0.01 0.00 0.00 54.97 55.57 2f63 s GLU 141 Cb 0.00 -1.94 -0.05 0.00 -4.31 0.00 0.00 34.13 27.83 2f63 s GLU 141 CO 0.00 -1.52 0.06 -1.64 0.01 0.00 0.00 175.26 172.17 2f63 s MET 142 N -5.21 1.30 0.55 1.61 -1.94 -1.26 -0.37 119.30 113.98 2f63 s MET 142 Ca 0.60 -1.67 0.32 0.00 -1.71 0.00 0.00 55.69 53.23 2f63 s MET 142 Cb -0.14 -0.27 1.56 0.00 2.01 0.00 0.00 34.83 38.00 2f63 s MET 142 CO 0.54 -0.23 2.08 1.25 -0.01 0.00 0.00 175.02 178.64 2f63 h LEU 143 N 2.50 0.00 0.20 -0.03 5.85 -1.58 0.48 115.31 122.73 2f63 h LEU 143 Ca -0.38 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.00 2f63 h LEU 143 Cb 1.23 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.28 2f63 h LEU 143 CO 0.61 0.07 -1.63 -0.09 -0.34 0.00 0.00 178.44 177.06 2f63 h ARG 144 N 0.00 0.41 -0.44 1.25 9.65 -1.82 -3.22 114.38 120.21 2f63 h ARG 144 Ca -0.00 -0.71 -0.09 0.00 -1.10 0.00 0.00 59.98 58.08 2f63 h ARG 144 Cb 0.37 0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 2f63 h ARG 144 CO 0.01 1.32 -0.11 0.37 2.80 0.00 0.00 179.97 184.36 2f63 h GLN 145 N 0.11 0.80 -0.41 0.20 -0.00 -1.70 -1.80 115.11 112.32 2f63 h GLN 145 Ca -0.30 -0.27 -0.00 0.00 -0.00 0.00 0.00 58.65 58.08 2f63 h GLN 145 Cb 2.11 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 29.50 2f63 h GLN 145 CO 0.20 0.88 0.25 0.82 0.00 0.00 0.00 178.83 180.98 2f63 h ILE 146 N 0.72 1.13 0.00 2.39 2.04 -1.04 -1.45 117.51 121.30 2f63 h ILE 146 Ca 0.12 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2f63 h ILE 146 Cb 0.60 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2f63 h ILE 146 CO 0.04 0.13 -0.13 -0.07 0.00 0.00 0.00 178.15 178.11 2f63 h LEU 147 N 0.54 0.00 -2.49 1.44 3.38 -1.52 -1.62 115.31 115.04 2f63 h LEU 147 Ca 0.15 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2f63 h LEU 147 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2f63 h LEU 147 CO -0.03 0.13 0.16 -0.74 0.09 0.00 0.00 178.44 178.06 2f63 h HIS 148 N 0.00 0.00 0.00 1.13 2.76 -0.36 1.89 115.15 120.57 2f63 h HIS 148 Ca -0.00 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.88 2f63 h HIS 148 Cb 0.58 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.49 2f63 h HIS 148 CO 0.00 0.00 -2.08 2.41 -1.30 0.00 0.00 177.93 176.96 2f63 n THR 149 N -3.07 1.07 -0.03 6.26 -1.04 -0.67 -4.79 114.28 112.01 2f63 n THR 149 Ca -0.02 -0.67 -0.02 0.00 -2.04 0.00 0.00 64.05 61.30 2f63 n THR 149 Cb 0.23 -0.57 -0.01 0.00 -1.82 0.00 0.00 70.33 68.16 2f63 n THR 149 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2f63 n ARG 150 N -2.58 0.15 -3.64 -2.82 5.12 0.20 -5.01 116.66 108.08 2f63 n ARG 150 Ca -0.25 0.16 -0.25 0.00 -1.93 0.00 0.00 57.85 55.57 2f63 n ARG 150 Cb 1.01 -0.87 0.06 0.00 -1.16 0.00 0.00 32.46 31.50 2f63 n ARG 150 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2f63 n ALA 151 N -2.94 -1.28 -3.54 7.54 0.00 0.62 -4.95 120.51 115.95 2f63 n ALA 151 Ca -0.04 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 2f63 n ALA 151 Cb 0.13 -5.18 -0.06 0.00 0.00 0.00 0.00 19.45 14.34 2f63 n ALA 151 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2f63 s PHE 152 N -3.30 3.57 0.00 0.00 -0.12 -1.26 -4.92 117.98 111.95 2f63 s PHE 152 Ca 0.59 -2.40 -0.00 0.00 -0.05 0.00 0.00 56.93 55.07 2f63 s PHE 152 Cb -0.27 -3.48 -0.02 0.00 -0.63 0.00 0.00 43.02 38.62 2f63 s PHE 152 CO 0.73 -0.91 1.75 -0.25 -0.05 0.00 0.00 175.22 176.50 2f63 n ASP 153 N 3.67 4.41 -3.79 1.98 8.00 -1.26 -4.60 116.55 124.97 2f63 n ASP 153 Ca 0.11 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.43 2f63 n ASP 153 Cb 0.42 -0.95 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2f63 n ASP 153 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2f63 n LYS 154 N 1.66 0.59 -2.99 -1.24 5.02 -1.26 -4.77 118.16 115.17 2f63 n LYS 154 Ca 0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.24 2f63 n LYS 154 Cb 0.44 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.45 2f63 n LYS 154 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2f63 n LEU 155 N 0.00 -7.07 -4.70 -0.35 4.77 -1.26 -4.87 117.00 103.53 2f63 n LEU 155 Ca 0.00 0.24 -0.44 0.00 -0.03 0.00 0.00 56.01 55.78 2f63 n LEU 155 Cb 0.00 -3.22 -0.03 0.00 -2.33 0.00 0.00 43.42 37.84 2f63 n LEU 155 CO 0.00 -1.72 1.25 -3.20 -1.33 0.00 0.00 177.39 172.39 2f63 n ASN 156 N -0.87 3.49 -4.47 -1.43 5.15 -1.18 -4.25 115.26 111.70 2f63 n ASN 156 Ca 0.05 1.08 -0.46 0.00 -0.60 0.00 0.00 54.58 54.65 2f63 n ASN 156 Cb 0.49 -1.50 -0.02 0.00 -0.53 0.00 0.00 39.78 38.22 2f63 n ASN 156 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2f63 n LYS 157 N 3.41 0.52 0.00 1.20 5.02 -1.26 0.75 118.16 127.80 2f63 n LYS 157 Ca 0.15 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2f63 n LYS 157 Cb 0.32 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2f63 n LYS 157 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75