#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0k s PHE 28 N 0.00 2.80 -0.03 0.00 5.36 -1.26 -5.02 117.98 119.84 2p0k s PHE 28 Ca 0.00 0.73 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 2p0k s PHE 28 Cb 0.00 -4.06 0.02 0.00 -0.34 0.00 0.00 43.02 38.64 2p0k s PHE 28 CO 0.00 -3.63 -0.02 0.99 -1.46 0.00 0.00 175.22 171.10 2p0k s THR 29 N 0.20 0.29 0.29 0.12 2.01 -1.26 -5.04 115.64 112.24 2p0k s THR 29 Ca 0.65 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.62 2p0k s THR 29 Cb -0.48 -0.33 0.28 0.00 0.01 0.00 0.00 72.50 71.98 2p0k s THR 29 CO 0.45 0.15 1.91 -0.50 -0.69 0.00 0.00 174.62 175.93 2p0k h TRP 30 N 6.95 1.11 -0.07 4.92 4.06 -1.98 -0.97 115.95 129.97 2p0k h TRP 30 Ca -0.38 0.03 0.03 0.00 2.06 0.00 0.00 58.89 60.62 2p0k h TRP 30 Cb 1.15 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 28.91 2p0k h TRP 30 CO 0.48 0.59 -0.11 -0.44 -3.56 0.00 0.00 178.44 175.41 2p0k h ASP 31 N 1.10 -0.33 -0.37 -3.49 3.32 -1.99 0.14 116.42 114.80 2p0k h ASP 31 Ca 0.40 0.06 -0.15 0.00 0.02 0.00 0.00 57.03 57.36 2p0k h ASP 31 Cb 0.15 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2p0k h ASP 31 CO -0.14 -0.15 -0.33 0.50 -1.72 0.00 0.00 179.24 177.40 2p0k h LYS 32 N -0.15 0.91 -0.44 3.56 1.63 -1.95 -2.72 116.57 117.42 2p0k h LYS 32 Ca 0.07 -0.44 -0.01 0.00 -0.85 0.00 0.00 60.65 59.41 2p0k h LYS 32 Cb 0.24 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 2p0k h LYS 32 CO -0.16 1.10 0.24 -0.92 -3.45 0.00 0.00 179.45 176.25 2p0k h TYR 33 N 0.76 0.60 -0.66 1.91 3.20 -0.72 0.11 116.97 122.17 2p0k h TYR 33 Ca 0.08 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 2p0k h TYR 33 Cb 0.91 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 2p0k h TYR 33 CO 0.06 0.45 0.11 -0.07 -1.64 0.00 0.00 178.16 177.07 2p0k h LEU 34 N 0.57 1.03 0.35 2.82 3.38 -0.74 -0.76 115.31 121.97 2p0k h LEU 34 Ca 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2p0k h LEU 34 Cb 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2p0k h LEU 34 CO -0.03 1.02 -0.17 0.11 0.09 0.00 0.00 178.44 179.47 2p0k h LYS 35 N 1.02 -0.45 -0.95 1.13 1.57 -1.14 -0.81 116.57 116.93 2p0k h LYS 35 Ca 0.20 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 2p0k h LYS 35 Cb 0.43 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 2p0k h LYS 35 CO 0.01 -0.30 0.62 0.93 -0.57 0.00 0.00 179.45 180.15 2p0k h GLU 36 N -0.48 1.20 -0.17 3.15 5.08 -0.59 -2.45 114.58 120.32 2p0k h GLU 36 Ca -0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2p0k h GLU 36 Cb 0.36 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2p0k h GLU 36 CO 0.08 0.80 0.00 0.25 -1.00 0.00 0.00 179.01 179.14 2p0k n THR 37 N -4.45 0.21 -3.95 1.13 -2.24 -0.31 -4.95 114.28 99.72 2p0k n THR 37 Ca 0.12 -0.43 -0.27 0.00 -2.27 0.00 0.00 64.05 61.19 2p0k n THR 37 Cb 0.05 0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 2p0k n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2p0k s SER 39 N -4.06 3.82 -0.01 0.00 0.01 -0.49 -5.05 113.70 107.92 2p0k s SER 39 Ca 0.21 -1.58 0.01 0.00 1.31 0.00 0.00 55.95 55.89 2p0k s SER 39 Cb -0.11 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.42 2p0k s SER 39 CO 0.87 -0.77 -0.03 -0.69 0.41 0.00 0.00 173.24 173.04 2p0k s VAL 40 N -2.91 0.26 0.33 3.43 1.01 -1.26 -4.72 120.40 116.55 2p0k s VAL 40 Ca 0.16 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2p0k s VAL 40 Cb 0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 36.38 36.08 2p0k s VAL 40 CO 0.08 0.09 0.95 -2.16 0.00 0.00 0.00 175.10 174.06 2p0k s PRO 41 N 0.10 4.54 0.14 2.72 0.04 -1.26 -0.67 135.00 140.61 2p0k s PRO 41 Ca -0.01 1.33 -0.32 0.00 0.04 0.00 0.00 61.00 62.04 2p0k s PRO 41 Cb -0.03 -2.75 -0.12 0.00 0.04 0.00 0.00 34.50 31.64 2p0k s PRO 41 CO -0.00 0.24 1.76 0.00 0.04 0.00 0.00 177.00 179.03 2p0k n ALA 42 N 0.46 2.07 -0.93 8.56 0.00 0.03 -4.74 120.51 125.95 2p0k n ALA 42 Ca 0.02 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 2p0k n ALA 42 Cb 0.50 -2.51 0.14 0.00 0.00 0.00 0.00 19.45 17.57 2p0k n ALA 42 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2p0k n PRO 43 N 4.81 -0.09 0.24 0.00 -0.02 -1.26 -4.63 135.00 134.04 2p0k n PRO 43 Ca 0.18 0.04 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 2p0k n PRO 43 Cb 0.34 -2.29 0.60 0.00 -0.02 0.00 0.00 33.50 32.12 2p0k n PRO 43 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2p0k h VAL 44 N -1.29 0.93 0.00 -1.45 -1.51 -1.98 -1.52 116.25 109.42 2p0k h VAL 44 Ca -0.45 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 2p0k h VAL 44 Cb 1.29 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 2p0k h VAL 44 CO 0.42 0.15 0.00 0.00 -1.23 0.00 0.00 177.57 176.91 2p0k n HIS 45 N -4.09 0.00 0.28 5.19 1.44 -1.26 -2.61 115.22 114.16 2p0k n HIS 45 Ca -0.02 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 55.85 2p0k n HIS 45 Cb 0.23 -0.36 0.60 0.00 0.12 0.00 0.00 29.99 30.59 2p0k n HIS 45 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2p0k s PHE 47 N -3.59 2.85 -1.34 0.00 0.08 -1.07 -4.73 117.98 110.18 2p0k s PHE 47 Ca 0.02 -0.09 -0.10 0.00 0.12 0.00 0.00 56.93 56.87 2p0k s PHE 47 Cb 0.08 -1.50 0.12 0.00 -0.57 0.00 0.00 43.02 41.16 2p0k s PHE 47 CO 0.56 0.44 2.04 1.17 -0.10 0.00 0.00 175.22 179.32 2p0k n LYS 48 N 0.78 3.46 -3.79 0.44 4.81 -1.26 -4.57 118.16 118.02 2p0k n LYS 48 Ca -0.13 -3.22 -0.13 0.00 -0.87 0.00 0.00 58.31 53.96 2p0k n LYS 48 Cb 0.52 -3.01 -0.13 0.00 0.02 0.00 0.00 35.03 32.43 2p0k n LYS 48 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2p0k s GLN 49 N 1.13 0.14 0.51 1.64 -1.52 -1.26 -4.77 119.66 115.54 2p0k s GLN 49 Ca 0.43 0.27 -0.22 0.00 -1.95 0.00 0.00 55.36 53.89 2p0k s GLN 49 Cb 0.12 -0.01 -0.06 0.00 -0.22 0.00 0.00 33.01 32.84 2p0k s GLN 49 CO -0.03 -0.07 1.28 -1.54 -0.25 0.00 0.00 175.29 174.68 2p0k s SER 50 N 0.48 5.62 0.29 5.90 1.04 -1.26 -4.91 113.70 120.85 2p0k s SER 50 Ca -0.03 2.58 0.11 0.00 0.48 0.00 0.00 55.95 59.09 2p0k s SER 50 Cb -0.05 -2.62 0.41 0.00 0.10 0.00 0.00 66.02 63.86 2p0k s SER 50 CO -0.02 -1.31 1.64 1.88 0.98 0.00 0.00 173.24 176.40 2p0k h TYR 51 N 1.68 0.00 -3.62 5.02 0.05 -1.97 -3.37 116.97 114.76 2p0k h TYR 51 Ca -0.50 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 57.59 2p0k h TYR 51 Cb 1.28 0.00 -0.25 0.00 1.01 0.00 0.00 36.73 38.77 2p0k h TYR 51 CO 0.49 0.58 -0.57 0.99 -1.05 0.00 0.00 178.16 178.60 2p0k s THR 52 N -3.66 4.27 0.55 -2.88 2.01 -1.26 -5.09 115.64 109.58 2p0k s THR 52 Ca -0.01 -0.80 -0.21 0.00 0.31 0.00 0.00 61.69 60.97 2p0k s THR 52 Cb 0.13 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 2p0k s THR 52 CO 0.76 -0.10 1.30 -2.65 -0.69 0.00 0.00 174.62 173.24 2p0k n PRO 53 N 4.93 1.56 -2.27 4.92 -0.02 -1.26 -4.93 135.00 137.93 2p0k n PRO 53 Ca -0.13 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.57 2p0k n PRO 53 Cb 0.47 -2.51 -0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2p0k n PRO 53 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2p0k s PRO 54 N -2.87 3.56 0.42 0.52 0.04 -1.26 -5.00 135.00 130.41 2p0k s PRO 54 Ca 0.72 1.69 -0.22 0.00 0.04 0.00 0.00 61.00 63.23 2p0k s PRO 54 Cb -0.42 -2.20 -0.10 0.00 0.04 0.00 0.00 34.50 31.82 2p0k s PRO 54 CO 0.49 -0.69 0.99 -1.54 0.04 0.00 0.00 177.00 176.28 2p0k s SER 55 N -1.58 6.83 -0.37 6.66 1.04 -1.26 -4.79 113.70 120.23 2p0k s SER 55 Ca 0.68 1.84 -0.04 0.00 0.48 0.00 0.00 55.95 58.91 2p0k s SER 55 Cb -0.26 -2.56 0.08 0.00 0.10 0.00 0.00 66.02 63.38 2p0k s SER 55 CO 0.30 -0.44 0.14 0.21 0.98 0.00 0.00 173.24 174.44 2p0k s ASN 56 N -1.92 5.21 -0.02 7.02 3.84 -1.26 -4.93 114.94 122.88 2p0k s ASN 56 Ca 0.60 -1.60 0.16 0.00 0.21 0.00 0.00 52.86 52.23 2p0k s ASN 56 Cb -0.15 -1.82 0.47 0.00 -0.55 0.00 0.00 41.25 39.20 2p0k s ASN 56 CO 0.19 -0.43 1.40 -0.62 -2.79 0.00 0.00 177.10 174.85 2p0k n GLU 57 N 4.68 2.92 -2.21 0.43 1.02 -1.26 -5.00 120.64 121.22 2p0k n GLU 57 Ca -0.08 -2.38 -0.35 0.00 -0.02 0.00 0.00 57.16 54.33 2p0k n GLU 57 Cb 0.43 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 30.39 2p0k n GLU 57 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2p0k s PHE 58 N -1.19 2.68 0.18 -0.32 0.08 -1.26 -5.07 117.98 113.08 2p0k s PHE 58 Ca 0.36 1.55 0.11 0.00 0.12 0.00 0.00 56.93 59.06 2p0k s PHE 58 Cb 0.20 -3.26 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 2p0k s PHE 58 CO 0.22 -1.55 -0.25 0.15 -0.10 0.00 0.00 175.22 173.70 2p0k s LYS 59 N -3.39 1.48 0.36 0.44 1.02 -1.26 -5.08 119.74 113.31 2p0k s LYS 59 Ca 0.72 -1.48 -0.28 0.00 0.02 0.00 0.00 55.97 54.94 2p0k s LYS 59 Cb -0.23 -1.85 -0.11 0.00 -0.52 0.00 0.00 37.83 35.13 2p0k s LYS 59 CO 0.28 0.41 1.47 0.42 -0.92 0.00 0.00 175.35 177.01 2p0k s ILE 60 N -1.53 2.15 0.00 2.17 1.01 -1.26 -1.94 121.20 121.80 2p0k s ILE 60 Ca 0.19 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.99 2p0k s ILE 60 Cb -0.08 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.29 2p0k s ILE 60 CO 0.09 0.03 0.00 -1.54 0.00 0.00 0.00 174.94 173.52 2p0k n SER 61 N 0.64 0.00 -4.77 3.58 3.41 0.43 -5.00 113.62 111.90 2p0k n SER 61 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.22 2p0k n SER 61 Cb 0.39 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.35 2p0k n SER 61 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2p0k s MET 62 N -0.57 3.89 0.11 4.33 -1.94 -0.82 -4.58 119.30 119.72 2p0k s MET 62 Ca 0.00 2.50 0.05 0.00 -1.71 0.00 0.00 55.69 56.52 2p0k s MET 62 Cb 0.00 -2.81 -0.04 0.00 2.01 0.00 0.00 34.83 33.99 2p0k s MET 62 CO 0.00 -0.68 0.04 0.15 -0.01 0.00 0.00 175.02 174.52 2p0k s LYS 63 N -2.28 2.67 0.35 2.03 1.02 -0.03 -0.80 119.74 122.70 2p0k s LYS 63 Ca 0.57 -0.83 -0.10 0.00 0.02 0.00 0.00 55.97 55.62 2p0k s LYS 63 Cb -0.45 -2.59 0.04 0.00 -0.52 0.00 0.00 37.83 34.31 2p0k s LYS 63 CO 0.60 0.53 0.64 1.47 -0.92 0.00 0.00 175.35 177.67 2p0k n LEU 64 N 0.32 0.00 -4.72 3.17 -0.00 -0.24 -1.03 117.00 114.51 2p0k n LEU 64 Ca -0.10 -2.39 -0.35 0.00 -0.00 0.00 0.00 56.01 53.18 2p0k n LEU 64 Cb 0.53 3.15 -0.09 0.00 -0.00 0.00 0.00 43.42 47.01 2p0k n LEU 64 CO 0.41 -0.73 -0.29 -1.61 -0.00 0.00 0.00 177.39 175.18 2p0k s GLU 65 N -2.25 3.02 -0.05 1.47 2.02 0.43 -0.90 118.70 122.44 2p0k s GLU 65 Ca 0.17 -0.41 -0.09 0.00 0.02 0.00 0.00 54.97 54.67 2p0k s GLU 65 Cb -0.04 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.38 2p0k s GLU 65 CO 0.13 0.70 0.22 0.00 0.02 0.00 0.00 175.26 176.32 2p0k s ALA 66 N -0.97 -0.54 0.18 5.21 0.00 -0.47 0.02 121.76 125.21 2p0k s ALA 66 Ca 0.15 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 2p0k s ALA 66 Cb -0.11 -0.20 -0.08 0.00 0.00 0.00 0.00 23.12 22.72 2p0k s ALA 66 CO 0.05 -0.15 1.30 -0.65 0.00 0.00 0.00 175.76 176.31 2p0k s GLN 67 N -0.44 4.39 -0.08 0.00 1.11 -0.96 -0.93 119.66 122.77 2p0k s GLN 67 Ca -0.05 2.02 -0.29 0.00 0.01 0.00 0.00 55.36 57.04 2p0k s GLN 67 Cb -0.04 -3.21 -0.06 0.00 -1.01 0.00 0.00 33.01 28.69 2p0k s GLN 67 CO 0.01 -0.25 1.86 0.34 0.01 0.00 0.00 175.29 177.26 2p0k s ASP 68 N 0.42 6.33 0.66 5.90 -1.08 -0.76 -4.86 116.67 123.29 2p0k s ASP 68 Ca 0.57 2.23 0.41 0.00 -0.52 0.00 0.00 52.55 55.24 2p0k s ASP 68 Cb -0.36 -2.53 2.23 0.00 -1.46 0.00 0.00 42.92 40.80 2p0k s ASP 68 CO 0.37 -1.20 2.27 1.55 0.52 0.00 0.00 175.17 178.67 2p0k h PRO 69 N 11.05 0.00 -0.28 4.34 0.13 -1.92 -1.39 132.00 143.93 2p0k h PRO 69 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2p0k h PRO 69 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2p0k h PRO 69 CO 0.96 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.27 2p0k n ARG 70 N -3.10 2.44 -2.72 0.86 1.74 -1.26 -4.64 116.66 109.98 2p0k n ARG 70 Ca -0.03 -2.18 -0.06 0.00 -0.77 0.00 0.00 57.85 54.82 2p0k n ARG 70 Cb 0.14 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.14 2p0k n ARG 70 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2p0k n ASN 71 N 1.44 -2.29 0.00 0.55 5.15 -0.56 -5.00 115.26 114.54 2p0k n ASN 71 Ca 0.18 -2.56 0.08 0.00 -0.60 0.00 0.00 54.58 51.67 2p0k n ASN 71 Cb 0.60 1.36 0.41 0.00 -0.53 0.00 0.00 39.78 41.62 2p0k n ASN 71 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2p0k n THR 72 N 1.80 0.58 0.20 -0.44 -2.24 -0.96 -1.37 114.28 111.85 2p0k n THR 72 Ca 0.07 0.14 0.07 0.00 -2.27 0.00 0.00 64.05 62.07 2p0k n THR 72 Cb 0.65 -0.87 0.36 0.00 -2.10 0.00 0.00 70.33 68.38 2p0k n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2p0k h THR 73 N 0.00 0.75 -3.10 4.28 1.03 -1.97 -3.43 112.91 110.47 2p0k h THR 73 Ca 0.00 -1.41 -0.59 0.00 -0.01 0.00 0.00 66.41 64.40 2p0k h THR 73 Cb 0.18 1.90 -0.05 0.00 -1.07 0.00 0.00 68.15 69.11 2p0k h THR 73 CO 0.00 0.32 -0.18 -0.44 -0.01 0.00 0.00 175.52 175.20 2p0k s SER 74 N -6.35 6.79 -0.16 0.00 0.01 -0.47 -5.02 113.70 108.50 2p0k s SER 74 Ca 0.01 0.96 -0.05 0.00 1.31 0.00 0.00 55.95 58.17 2p0k s SER 74 Cb 0.10 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 2p0k s SER 74 CO 0.67 0.25 0.01 -0.89 0.41 0.00 0.00 173.24 173.69 2p0k s THR 75 N -1.23 4.34 0.35 1.44 2.01 -1.26 -1.82 115.64 119.46 2p0k s THR 75 Ca 0.29 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.13 2p0k s THR 75 Cb -0.16 -2.92 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 2p0k s THR 75 CO 0.16 0.49 0.06 0.00 -0.69 0.00 0.00 174.62 174.64 2p0k s ILE 77 N -3.24 4.65 0.10 0.00 -1.09 -1.26 -1.36 121.20 118.99 2p0k s ILE 77 Ca 0.34 1.75 0.07 0.00 -2.23 0.00 0.00 60.65 60.58 2p0k s ILE 77 Cb 0.08 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 2p0k s ILE 77 CO 0.15 0.36 -0.19 0.00 -1.23 0.00 0.00 174.94 174.03 2p0k s ALA 78 N -0.12 1.66 -0.02 9.38 0.00 -0.08 -1.74 121.76 130.84 2p0k s ALA 78 Ca 0.40 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 51.23 2p0k s ALA 78 Cb -0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 2p0k s ALA 78 CO 0.25 0.31 -0.20 0.99 0.00 0.00 0.00 175.76 177.11 2p0k s THR 79 N -1.22 2.56 -0.25 0.00 2.01 -0.33 -1.08 115.64 117.33 2p0k s THR 79 Ca 0.05 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.79 2p0k s THR 79 Cb -0.10 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 2p0k s THR 79 CO 0.04 0.55 1.41 -0.69 -0.69 0.00 0.00 174.62 175.24 2p0k s VAL 80 N -0.70 3.99 -0.71 3.82 1.01 0.02 -1.94 120.40 125.89 2p0k s VAL 80 Ca 0.11 1.13 0.10 0.00 0.00 0.00 0.00 61.98 63.32 2p0k s VAL 80 Cb -0.10 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2p0k s VAL 80 CO 0.00 -0.37 0.53 1.33 0.00 0.00 0.00 175.10 176.60 2p0k n VAL 81 N 6.17 0.00 -3.70 2.92 0.24 0.26 -0.43 118.33 123.79 2p0k n VAL 81 Ca 0.16 -0.34 -0.05 0.00 -2.04 0.00 0.00 64.34 62.07 2p0k n VAL 81 Cb 0.46 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.88 2p0k n VAL 81 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2p0k s GLY 82 N -1.60 -0.29 -0.02 7.63 0.00 -1.10 -4.98 107.32 106.97 2p0k s GLY 82 Ca 0.06 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 45.06 2p0k s GLY 82 CO 0.31 0.07 0.05 1.08 0.00 0.00 0.00 173.10 174.61 2p0k s LEU 83 N -2.84 1.57 -0.21 0.66 1.43 -1.26 -0.84 118.68 117.19 2p0k s LEU 83 Ca 0.10 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2p0k s LEU 83 Cb -0.02 0.12 0.10 0.00 0.03 0.00 0.00 46.19 46.42 2p0k s LEU 83 CO -0.00 -0.05 0.27 0.28 0.23 0.00 0.00 176.35 177.07 2p0k s THR 84 N 0.36 -0.41 0.00 5.49 -1.32 -0.60 -4.94 115.64 114.22 2p0k s THR 84 Ca -0.03 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 2p0k s THR 84 Cb -0.04 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 2p0k s THR 84 CO -0.01 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 2p0k n GLY 85 N 5.33 4.20 0.85 6.08 0.00 -1.25 -0.81 105.19 119.59 2p0k n GLY 85 Ca -0.05 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.22 2p0k n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p0k n ALA 86 N 12.76 2.45 -2.45 4.61 0.00 -1.26 -4.71 120.51 131.92 2p0k n ALA 86 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 53.44 52.35 2p0k n ALA 86 Cb 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 2p0k n ALA 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2p0k s ARG 87 N -1.41 1.63 -0.15 0.00 0.52 0.01 -0.95 118.95 118.60 2p0k s ARG 87 Ca 0.30 -1.35 -0.03 0.00 -0.52 0.00 0.00 55.73 54.13 2p0k s ARG 87 Cb 0.16 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 2p0k s ARG 87 CO 0.20 0.44 -0.04 -0.51 0.02 0.00 0.00 175.30 175.41 2p0k s LEU 88 N -2.38 3.24 -0.29 2.53 1.43 0.16 -1.56 118.68 121.81 2p0k s LEU 88 Ca 0.19 -0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 52.91 2p0k s LEU 88 Cb -0.09 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2p0k s LEU 88 CO 0.10 0.19 0.92 -0.60 0.23 0.00 0.00 176.35 177.18 2p0k s ARG 89 N 0.22 4.07 0.06 1.70 3.52 -0.02 -1.48 118.95 127.02 2p0k s ARG 89 Ca -0.03 0.90 0.07 0.00 -0.13 0.00 0.00 55.73 56.55 2p0k s ARG 89 Cb -0.14 -3.71 -0.03 0.00 -1.56 0.00 0.00 34.95 29.51 2p0k s ARG 89 CO 0.03 -0.71 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.12 2p0k s LEU 90 N 3.18 2.65 -0.05 -0.88 1.43 0.12 -0.57 118.68 124.56 2p0k s LEU 90 Ca 0.38 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2p0k s LEU 90 Cb -0.14 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.56 2p0k s LEU 90 CO 0.12 0.24 -0.11 -0.60 0.23 0.00 0.00 176.35 176.22 2p0k s ARG 91 N -1.62 1.45 -0.28 1.70 3.52 -0.82 -1.64 118.95 121.26 2p0k s ARG 91 Ca 0.16 -0.36 -0.29 0.00 -0.13 0.00 0.00 55.73 55.11 2p0k s ARG 91 Cb -0.11 -1.24 -0.01 0.00 -1.56 0.00 0.00 34.95 32.04 2p0k s ARG 91 CO 0.07 0.04 1.39 -0.51 -0.81 0.00 0.00 175.30 175.48 2p0k s LEU 92 N 0.58 3.89 0.17 -0.88 1.43 -1.26 -1.19 118.68 121.41 2p0k s LEU 92 Ca -0.12 1.33 -0.34 0.00 -1.03 0.00 0.00 54.13 53.98 2p0k s LEU 92 Cb -0.14 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.40 2p0k s LEU 92 CO 0.03 -1.13 1.43 0.47 0.23 0.00 0.00 176.35 177.38 2p0k n ASP 93 N 7.84 2.51 0.00 2.29 8.00 -0.71 -1.67 116.55 134.80 2p0k n ASP 93 Ca 0.16 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.77 2p0k n ASP 93 Cb 0.46 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 2p0k n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p0k n GLY 94 N 2.72 0.41 3.81 0.44 0.00 -1.26 -4.72 105.19 106.60 2p0k n GLY 94 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2p0k n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p0k s SER 95 N -2.54 4.60 1.05 1.61 1.04 -0.67 -0.31 113.70 118.47 2p0k s SER 95 Ca 0.00 -1.08 -0.09 0.00 0.48 0.00 0.00 55.95 55.25 2p0k s SER 95 Cb 0.00 -0.20 0.13 0.00 0.10 0.00 0.00 66.02 66.05 2p0k s SER 95 CO 0.00 -0.74 0.63 -0.90 0.98 0.00 0.00 173.24 173.22 2p0k n ASP 96 N -1.45 -0.59 -1.17 7.02 5.68 -1.26 -4.93 116.55 119.84 2p0k n ASP 96 Ca -0.01 -1.08 0.06 0.00 -0.50 0.00 0.00 54.79 53.25 2p0k n ASP 96 Cb 0.64 -0.52 0.24 0.00 -1.14 0.00 0.00 41.12 40.34 2p0k n ASP 96 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2p0k n ASN 97 N -3.65 3.39 -0.24 -1.12 0.23 -1.26 -4.39 115.26 108.22 2p0k n ASN 97 Ca 0.08 -2.34 0.11 0.00 -0.53 0.00 0.00 54.58 51.90 2p0k n ASN 97 Cb 0.30 -0.49 0.02 0.00 -2.08 0.00 0.00 39.78 37.53 2p0k n ASN 97 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2p0k n LYS 98 N 0.60 0.61 -2.42 -3.83 5.02 -1.26 -4.32 118.16 112.56 2p0k n LYS 98 Ca 0.17 -0.48 -0.18 0.00 -2.02 0.00 0.00 58.31 55.80 2p0k n LYS 98 Cb 0.66 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.20 2p0k n LYS 98 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2p0k n ASN 99 N -0.78 3.67 -4.77 4.39 3.02 -1.26 -5.08 115.26 114.45 2p0k n ASN 99 Ca 0.07 -3.25 -0.38 0.00 -0.03 0.00 0.00 54.58 50.99 2p0k n ASN 99 Cb 0.39 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2p0k n ASN 99 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2p0k s ASP 100 N -3.54 6.02 0.19 6.41 1.01 -1.26 -4.84 116.67 120.66 2p0k s ASP 100 Ca 0.42 2.47 0.04 0.00 0.71 0.00 0.00 52.55 56.19 2p0k s ASP 100 Cb 0.40 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.66 2p0k s ASP 100 CO -0.05 -1.03 -0.06 0.72 0.21 0.00 0.00 175.17 174.96 2p0k s PHE 101 N -1.43 1.45 -0.10 4.23 -0.12 -0.65 -4.92 117.98 116.44 2p0k s PHE 101 Ca 0.64 -0.81 0.03 0.00 -0.05 0.00 0.00 56.93 56.73 2p0k s PHE 101 Cb -0.33 -0.78 0.01 0.00 -0.63 0.00 0.00 43.02 41.28 2p0k s PHE 101 CO 0.40 0.06 -0.19 -1.58 -0.05 0.00 0.00 175.22 173.86 2p0k s TRP 102 N -3.33 2.18 -0.02 3.49 0.52 -1.26 0.11 118.94 120.64 2p0k s TRP 102 Ca 0.23 -0.93 0.03 0.00 0.02 0.00 0.00 56.10 55.45 2p0k s TRP 102 Cb 0.04 -1.50 -0.00 0.00 -1.15 0.00 0.00 33.47 30.85 2p0k s TRP 102 CO 0.05 -0.41 -0.10 1.03 0.02 0.00 0.00 176.95 177.53 2p0k s ARG 103 N 0.59 0.92 0.59 4.98 1.81 -0.55 -4.94 118.95 122.35 2p0k s ARG 103 Ca -0.14 -0.36 -0.20 0.00 -1.72 0.00 0.00 55.73 53.31 2p0k s ARG 103 Cb -0.17 -0.87 -0.03 0.00 -0.45 0.00 0.00 34.95 33.43 2p0k s ARG 103 CO 0.05 0.19 1.28 -0.51 -0.68 0.00 0.00 175.30 175.62 2p0k s LEU 104 N -0.08 3.71 0.24 2.53 1.43 -1.26 0.39 118.68 125.64 2p0k s LEU 104 Ca 0.01 2.57 0.22 0.00 -1.03 0.00 0.00 54.13 55.90 2p0k s LEU 104 Cb -0.06 -4.49 0.96 0.00 0.03 0.00 0.00 46.19 42.64 2p0k s LEU 104 CO -0.00 -1.67 1.66 1.33 0.23 0.00 0.00 176.35 177.89 2p0k n VAL 105 N -1.45 0.92 -0.97 -1.59 0.24 -0.13 -1.50 118.33 113.86 2p0k n VAL 105 Ca 0.13 0.35 0.08 0.00 -2.04 0.00 0.00 64.34 62.86 2p0k n VAL 105 Cb 0.48 -1.29 0.28 0.00 -1.47 0.00 0.00 33.84 31.84 2p0k n VAL 105 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2p0k n ASP 106 N -2.16 4.18 -4.72 -1.34 5.68 -1.26 -2.50 116.55 114.43 2p0k n ASP 106 Ca 0.01 -3.00 -0.42 0.00 -0.50 0.00 0.00 54.79 50.89 2p0k n ASP 106 Cb 0.18 -0.57 -0.03 0.00 -1.14 0.00 0.00 41.12 39.56 2p0k n ASP 106 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2p0k s SER 107 N -1.74 7.10 0.00 -1.12 0.15 -0.56 -3.63 113.70 113.89 2p0k s SER 107 Ca 0.44 2.03 0.11 0.00 0.70 0.00 0.00 55.95 59.23 2p0k s SER 107 Cb 0.35 -2.58 0.49 0.00 -1.71 0.00 0.00 66.02 62.57 2p0k s SER 107 CO 0.10 -0.44 1.36 0.00 1.20 0.00 0.00 173.24 175.46 2p0k n ALA 108 N 3.74 1.53 1.65 5.45 0.00 -1.26 -3.20 120.51 128.42 2p0k n ALA 108 Ca 0.08 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2p0k n ALA 108 Cb 0.46 -1.19 0.57 0.00 0.00 0.00 0.00 19.45 19.29 2p0k n ALA 108 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2p0k n GLU 109 N -1.49 1.37 -4.66 0.00 1.02 -1.26 -4.73 120.64 110.90 2p0k n GLU 109 Ca 0.03 -0.56 -0.27 0.00 -0.02 0.00 0.00 57.16 56.35 2p0k n GLU 109 Cb 0.13 -1.40 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 2p0k n GLU 109 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2p0k s ILE 110 N -1.93 1.83 0.08 -3.67 -4.36 -1.19 -2.25 121.20 109.70 2p0k s ILE 110 Ca 0.35 -1.32 -0.02 0.00 -0.26 0.00 0.00 60.65 59.40 2p0k s ILE 110 Cb 0.18 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 2p0k s ILE 110 CO 0.29 0.21 0.02 -1.10 0.24 0.00 0.00 174.94 174.60 2p0k s GLN 111 N -1.33 0.74 0.57 0.37 1.11 0.10 -4.94 119.66 116.29 2p0k s GLN 111 Ca 0.09 -1.27 -0.18 0.00 0.01 0.00 0.00 55.36 54.01 2p0k s GLN 111 Cb -0.09 0.23 -0.04 0.00 -1.01 0.00 0.00 33.01 32.10 2p0k s GLN 111 CO 0.02 -0.18 1.13 -2.14 0.01 0.00 0.00 175.29 174.14 2p0k s PRO 112 N -3.96 3.19 0.21 2.91 0.02 -1.26 -0.43 135.00 135.69 2p0k s PRO 112 Ca 0.12 1.58 -0.30 0.00 0.02 0.00 0.00 61.00 62.42 2p0k s PRO 112 Cb 0.07 -1.99 -0.16 0.00 0.02 0.00 0.00 34.50 32.45 2p0k s PRO 112 CO -0.06 -0.97 0.97 -0.89 -0.33 0.00 0.00 177.00 175.71 2p0k n ILE 113 N -1.59 1.50 0.00 2.83 2.08 -1.26 -1.99 119.36 120.93 2p0k n ILE 113 Ca 0.11 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 63.05 2p0k n ILE 113 Cb 0.51 -0.69 0.00 0.00 -0.75 0.00 0.00 39.64 38.71 2p0k n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2p0k n GLY 114 N 1.68 3.39 0.17 7.39 0.00 -1.26 -4.93 105.19 111.63 2p0k n GLY 114 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 2p0k n GLY 114 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2p0k h ASN 115 N 0.01 0.33 0.52 1.61 -0.73 -1.77 -0.69 115.58 114.85 2p0k h ASN 115 Ca 0.00 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 2p0k h ASN 115 Cb 0.00 -0.06 0.01 0.00 0.27 0.00 0.00 38.32 38.54 2p0k h ASN 115 CO 0.00 0.24 -0.25 0.00 -0.37 0.00 0.00 177.43 177.05 2p0k h GLU 117 N -0.77 0.57 -0.60 0.00 4.11 -1.68 -0.57 114.58 115.64 2p0k h GLU 117 Ca -0.07 -0.11 0.05 0.00 0.07 0.00 0.00 59.36 59.30 2p0k h GLU 117 Cb 0.57 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2p0k h GLU 117 CO 0.12 0.57 0.40 -0.22 0.07 0.00 0.00 179.01 179.94 2p0k h LYS 118 N 0.55 0.60 -0.60 1.06 3.64 -1.01 -1.62 116.57 119.19 2p0k h LYS 118 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2p0k h LYS 118 Cb 0.30 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2p0k h LYS 118 CO 0.01 0.40 0.00 0.09 -2.27 0.00 0.00 179.45 177.68 2p0k n ASN 119 N -4.47 3.49 0.00 4.20 4.13 -0.79 -4.90 115.26 116.91 2p0k n ASN 119 Ca 0.08 -2.20 0.00 0.00 1.68 0.00 0.00 54.58 54.14 2p0k n ASN 119 Cb 0.20 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.99 2p0k n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2p0k n GLY 120 N 1.15 0.56 4.02 7.41 0.00 -0.61 -5.06 105.19 112.67 2p0k n GLY 120 Ca 0.20 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 2p0k n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2p0k s GLY 121 N -2.49 1.72 -0.03 -0.02 0.00 -0.29 -4.98 107.32 101.23 2p0k s GLY 121 Ca 0.00 -2.08 0.02 0.00 0.00 0.00 0.00 44.72 42.66 2p0k s GLY 121 CO 0.00 -1.54 -0.08 1.06 0.00 0.00 0.00 173.10 172.54 2p0k s MET 122 N -4.89 0.92 0.66 2.90 -1.94 -1.26 -4.02 119.30 111.68 2p0k s MET 122 Ca 0.65 -0.27 -0.16 0.00 -1.71 0.00 0.00 55.69 54.20 2p0k s MET 122 Cb -0.05 -0.87 0.00 0.00 2.01 0.00 0.00 34.83 35.93 2p0k s MET 122 CO 0.42 0.08 1.16 -0.51 -0.01 0.00 0.00 175.02 176.16 2p0k s LEU 123 N 0.28 3.43 0.13 -0.03 1.43 -1.26 -4.76 118.68 117.90 2p0k s LEU 123 Ca -0.04 2.19 0.08 0.00 -1.03 0.00 0.00 54.13 55.33 2p0k s LEU 123 Cb -0.09 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 2p0k s LEU 123 CO 0.00 -1.80 -0.20 -1.10 0.23 0.00 0.00 176.35 173.48 2p0k s GLN 124 N -3.85 1.20 0.61 1.70 -1.52 0.97 -4.98 119.66 113.79 2p0k s GLN 124 Ca 0.71 -1.27 -0.18 0.00 -1.95 0.00 0.00 55.36 52.67 2p0k s GLN 124 Cb -0.25 -1.40 -0.02 0.00 -0.22 0.00 0.00 33.01 31.12 2p0k s GLN 124 CO 0.40 0.31 1.21 -1.25 -0.25 0.00 0.00 175.29 175.71 2p0k s PRO 125 N -2.26 2.85 0.54 2.91 0.04 -1.26 -4.25 135.00 133.57 2p0k s PRO 125 Ca 0.10 1.82 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 2p0k s PRO 125 Cb -0.08 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2p0k s PRO 125 CO 0.05 -1.30 1.09 -1.25 0.04 0.00 0.00 177.00 175.63 2p0k s PRO 126 N -3.43 3.45 0.23 0.56 0.04 -1.26 -4.94 135.00 129.65 2p0k s PRO 126 Ca 0.77 1.46 -0.32 0.00 0.04 0.00 0.00 61.00 62.95 2p0k s PRO 126 Cb -0.30 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.07 2p0k s PRO 126 CO 0.35 -0.74 1.50 -0.11 0.04 0.00 0.00 177.00 178.04 2p0k n LEU 127 N -1.37 3.36 -0.15 -3.56 7.94 -1.26 -1.18 117.00 120.78 2p0k n LEU 127 Ca 0.10 1.12 -0.02 0.00 -1.11 0.00 0.00 56.01 56.11 2p0k n LEU 127 Cb 0.52 -1.46 -0.01 0.00 0.53 0.00 0.00 43.42 43.00 2p0k n LEU 127 CO 0.42 -0.29 -0.02 0.61 -1.11 0.00 0.00 177.39 177.00 2p0k n GLY 128 N 2.57 0.54 3.63 -3.96 0.00 -1.26 -4.92 105.19 101.79 2p0k n GLY 128 Ca 0.13 -0.71 -0.50 0.00 0.00 0.00 0.00 46.02 44.94 2p0k n GLY 128 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2p0k n PHE 129 N -2.91 1.86 0.42 1.61 7.35 -0.32 -4.43 117.46 121.03 2p0k n PHE 129 Ca -0.02 0.47 0.13 0.00 -0.76 0.00 0.00 57.45 57.27 2p0k n PHE 129 Cb 0.08 -2.43 0.36 0.00 0.35 0.00 0.00 39.48 37.84 2p0k n PHE 129 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 2p0k h ARG 130 N 5.34 0.00 -6.55 -4.13 0.11 -1.01 -3.45 114.38 104.69 2p0k h ARG 130 Ca -0.47 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.13 2p0k h ARG 130 Cb 1.30 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.40 2p0k h ARG 130 CO 0.83 0.00 -0.15 -0.51 0.10 0.00 0.00 179.97 180.25 2p0k s LEU 131 N -5.29 3.18 0.68 0.08 1.43 -1.26 -5.12 118.68 112.38 2p0k s LEU 131 Ca 0.08 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 2p0k s LEU 131 Cb 0.09 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.52 2p0k s LEU 131 CO 0.59 -1.21 1.06 0.54 0.23 0.00 0.00 176.35 177.56 2p0k s ASN 132 N -4.57 5.43 0.27 2.29 2.20 -1.26 -4.97 114.94 114.33 2p0k s ASN 132 Ca 0.58 1.64 0.00 0.00 -0.94 0.00 0.00 52.86 54.14 2p0k s ASN 132 Cb -0.06 -2.50 0.57 0.00 -2.00 0.00 0.00 41.25 37.26 2p0k s ASN 132 CO 0.36 -1.41 1.76 0.00 -2.94 0.00 0.00 177.10 174.87 2p0k h ALA 133 N -0.59 1.32 0.00 3.54 0.00 -2.00 -1.38 119.26 120.16 2p0k h ALA 133 Ca -0.44 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2p0k h ALA 133 Cb 1.21 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2p0k h ALA 133 CO 0.57 -0.12 -0.03 0.66 0.00 0.00 0.00 179.25 180.33 2p0k h SER 134 N 0.61 0.00 0.92 0.00 4.64 -2.06 -1.61 113.55 116.04 2p0k h SER 134 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2p0k h SER 134 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2p0k h SER 134 CO -0.38 0.03 -0.31 -1.20 -0.87 0.00 0.00 176.83 174.10 2p0k n SER 135 N -3.73 0.49 -0.05 4.97 7.64 -0.52 -4.38 113.62 118.03 2p0k n SER 135 Ca -0.03 0.20 -0.08 0.00 1.01 0.00 0.00 58.87 59.98 2p0k n SER 135 Cb 0.13 -0.17 -0.02 0.00 -1.01 0.00 0.00 64.21 63.14 2p0k n SER 135 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 2p0k h TRP 136 N 0.00 -0.23 -0.77 1.43 2.91 -1.28 -0.98 115.95 117.03 2p0k h TRP 136 Ca 0.00 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.12 2p0k h TRP 136 Cb 0.61 0.14 -0.06 0.00 -0.51 0.00 0.00 29.16 29.34 2p0k h TRP 136 CO 0.00 -0.16 0.45 -1.35 -1.03 0.00 0.00 178.44 176.36 2p0k h PRO 137 N -0.06 0.78 -0.33 2.65 0.11 -1.78 0.15 132.00 133.51 2p0k h PRO 137 Ca 0.12 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.21 2p0k h PRO 137 Cb 0.25 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 2p0k h PRO 137 CO -0.27 0.52 0.17 1.98 -0.21 0.00 0.00 178.00 180.18 2p0k h MET 138 N 0.80 0.34 -0.62 1.05 1.85 -1.78 -2.28 114.93 114.29 2p0k h MET 138 Ca 0.35 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.42 2p0k h MET 138 Cb 0.24 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.16 2p0k h MET 138 CO -0.20 0.23 0.38 0.35 -0.40 0.00 0.00 176.91 177.27 2p0k h PHE 139 N 0.35 0.81 0.02 1.39 3.57 -0.29 -1.10 116.94 121.69 2p0k h PHE 139 Ca 0.14 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2p0k h PHE 139 Cb 0.04 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.51 2p0k h PHE 139 CO -0.09 0.54 -0.01 1.25 -2.23 0.00 0.00 178.31 177.77 2p0k h LEU 140 N 0.84 -0.02 -0.11 0.59 5.85 -0.58 0.29 115.31 122.17 2p0k h LEU 140 Ca 0.22 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2p0k h LEU 140 Cb -0.04 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2p0k h LEU 140 CO -0.04 0.07 -0.14 0.25 -0.34 0.00 0.00 178.44 178.24 2p0k h LEU 141 N -0.11 -0.42 -0.71 2.25 5.85 -1.18 -1.45 115.31 119.53 2p0k h LEU 141 Ca -0.00 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 2p0k h LEU 141 Cb 0.10 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2p0k h LEU 141 CO 0.00 -0.18 -0.59 0.07 -0.34 0.00 0.00 178.44 177.41 2p0k h LYS 142 N -0.17 0.18 -0.49 1.25 5.09 -1.09 -1.56 116.57 119.78 2p0k h LYS 142 Ca 0.09 -0.12 -0.03 0.00 0.09 0.00 0.00 60.65 60.68 2p0k h LYS 142 Cb 0.30 0.02 -0.02 0.00 0.10 0.00 0.00 32.23 32.62 2p0k h LYS 142 CO -0.22 0.72 0.19 1.15 -2.09 0.00 0.00 179.45 179.20 2p0k h THR 143 N 0.14 1.21 0.00 0.07 2.02 -0.67 -3.16 112.91 112.51 2p0k h THR 143 Ca -0.00 -0.65 -0.13 0.00 0.77 0.00 0.00 66.41 66.40 2p0k h THR 143 Cb 1.07 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 2p0k h THR 143 CO 0.09 0.24 -0.60 -0.07 0.37 0.00 0.00 175.52 175.55 2p0k h LEU 144 N 0.64 0.00 -9.24 2.58 3.38 -1.05 -3.38 115.31 108.25 2p0k h LEU 144 Ca 0.16 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.58 2p0k h LEU 144 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2p0k h LEU 144 CO -0.01 0.60 1.06 0.21 0.09 0.00 0.00 178.44 180.39 2p0k s ASN 145 N -6.59 6.71 0.00 -0.43 3.84 -0.61 -1.51 114.94 116.36 2p0k s ASN 145 Ca 0.01 2.12 0.00 0.00 0.21 0.00 0.00 52.86 55.20 2p0k s ASN 145 Cb 0.10 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 2p0k s ASN 145 CO 0.75 -0.90 0.00 0.61 -2.79 0.00 0.00 177.10 174.76 2p0k n GLY 146 N 4.05 0.74 3.80 1.21 0.00 -1.26 -4.97 105.19 108.76 2p0k n GLY 146 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2p0k n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p0k s ALA 147 N -2.92 3.06 -0.46 4.61 0.00 -0.57 -5.01 121.76 120.47 2p0k s ALA 147 Ca 0.00 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.24 2p0k s ALA 147 Cb 0.00 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.93 2p0k s ALA 147 CO 0.00 -0.05 1.08 -2.00 0.00 0.00 0.00 175.76 174.79 2p0k s GLU 148 N -2.74 3.69 0.12 0.00 2.12 -1.26 -5.01 118.70 115.61 2p0k s GLU 148 Ca 0.59 0.49 -0.30 0.00 0.36 0.00 0.00 54.97 56.11 2p0k s GLU 148 Cb -0.16 -3.90 -0.06 0.00 0.26 0.00 0.00 34.13 30.26 2p0k s GLU 148 CO 0.21 -1.31 1.02 -1.64 -0.54 0.00 0.00 175.26 172.99 2p0k s MET 149 N 4.23 4.64 0.28 4.30 -1.94 -1.26 -0.85 119.30 128.69 2p0k s MET 149 Ca 0.45 1.54 -0.30 0.00 -1.71 0.00 0.00 55.69 55.67 2p0k s MET 149 Cb -0.08 -3.36 -0.12 0.00 2.01 0.00 0.00 34.83 33.28 2p0k s MET 149 CO 0.29 0.12 1.55 0.00 -0.01 0.00 0.00 175.02 176.98 2p0k n ALA 150 N 2.86 2.18 -1.76 3.03 0.00 -0.20 -4.80 120.51 121.83 2p0k n ALA 150 Ca 0.03 0.38 -0.38 0.00 0.00 0.00 0.00 53.44 53.48 2p0k n ALA 150 Cb 0.48 -2.42 0.02 0.00 0.00 0.00 0.00 19.45 17.54 2p0k n ALA 150 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2p0k s PRO 151 N -0.42 3.40 0.30 0.00 0.02 -1.26 -4.67 135.00 132.37 2p0k s PRO 151 Ca 0.65 2.01 0.02 0.00 0.02 0.00 0.00 61.00 63.71 2p0k s PRO 151 Cb -0.54 -2.30 0.56 0.00 0.02 0.00 0.00 34.50 32.24 2p0k s PRO 151 CO 0.48 -0.91 1.89 0.82 -0.33 0.00 0.00 177.00 178.94 2p0k h ILE 152 N 1.60 1.01 0.00 2.83 2.04 -1.96 -2.89 117.51 120.13 2p0k h ILE 152 Ca -0.50 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 2p0k h ILE 152 Cb 1.28 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2p0k h ILE 152 CO 0.58 0.18 -0.06 0.08 0.00 0.00 0.00 178.15 178.93 2p0k h ARG 153 N 0.99 0.00 -0.05 2.37 0.11 -2.02 -2.80 114.38 112.98 2p0k h ARG 153 Ca 0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.51 2p0k h ARG 153 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 2p0k h ARG 153 CO -0.18 0.06 0.00 0.44 0.10 0.00 0.00 179.97 180.39 2p0k n ILE 154 N -3.33 0.05 -2.96 0.08 -5.35 -1.09 -4.76 119.36 102.01 2p0k n ILE 154 Ca -0.01 -0.24 -0.41 0.00 -0.27 0.00 0.00 62.75 61.81 2p0k n ILE 154 Cb 0.23 0.35 -0.05 0.00 -1.74 0.00 0.00 39.64 38.43 2p0k n ILE 154 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2p0k s PHE 155 N -1.95 3.33 0.01 4.28 0.08 -1.06 -4.82 117.98 117.86 2p0k s PHE 155 Ca 0.37 1.07 -0.12 0.00 0.12 0.00 0.00 56.93 58.37 2p0k s PHE 155 Cb 0.20 -2.98 -0.06 0.00 -0.57 0.00 0.00 43.02 39.62 2p0k s PHE 155 CO 0.32 -0.34 0.38 -1.01 -0.10 0.00 0.00 175.22 174.47 2p0k s HIS 156 N 2.57 3.67 0.59 0.36 3.76 -1.04 -5.05 115.29 120.14 2p0k s HIS 156 Ca 0.33 0.88 -0.20 0.00 -0.15 0.00 0.00 55.06 55.92 2p0k s HIS 156 Cb -0.16 -2.21 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 2p0k s HIS 156 CO 0.09 0.62 1.34 0.21 -0.85 0.00 0.00 174.74 176.15 2p0k s LYS 157 N -1.33 2.90 0.64 1.40 2.20 -1.26 -4.40 119.74 119.88 2p0k s LYS 157 Ca 0.26 2.19 -0.17 0.00 -0.36 0.00 0.00 55.97 57.88 2p0k s LYS 157 Cb -0.15 -2.10 -0.01 0.00 -1.51 0.00 0.00 37.83 34.06 2p0k s LYS 157 CO 0.14 -1.36 1.18 -1.21 -0.36 0.00 0.00 175.35 173.73 2p0k s GLU 158 N -3.09 2.76 0.77 4.03 2.02 -1.24 -4.86 118.70 119.09 2p0k s GLU 158 Ca 0.76 1.69 -0.11 0.00 0.02 0.00 0.00 54.97 57.33 2p0k s GLU 158 Cb -0.40 -1.92 0.05 0.00 0.10 0.00 0.00 34.13 31.97 2p0k s GLU 158 CO 0.45 -1.33 1.08 -1.25 0.02 0.00 0.00 175.26 174.23 2p0k s PRO 159 N -3.64 2.32 0.50 0.39 0.04 -1.26 -4.97 135.00 128.37 2p0k s PRO 159 Ca 0.74 1.06 -0.23 0.00 0.04 0.00 0.00 61.00 62.61 2p0k s PRO 159 Cb -0.27 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 2p0k s PRO 159 CO 0.37 -1.57 1.34 -1.25 0.04 0.00 0.00 177.00 175.93 2p0k s PRO 160 N -4.95 3.44 0.43 0.56 0.04 -1.26 -4.86 135.00 128.40 2p0k s PRO 160 Ca 0.61 2.19 -0.22 0.00 0.04 0.00 0.00 61.00 63.62 2p0k s PRO 160 Cb -0.16 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 2p0k s PRO 160 CO 0.56 -0.94 1.04 -1.12 0.04 0.00 0.00 177.00 176.58 2p0k s SER 161 N -0.90 6.62 0.74 6.66 0.01 -1.26 -4.58 113.70 121.00 2p0k s SER 161 Ca 0.66 1.96 -0.15 0.00 1.31 0.00 0.00 55.95 59.74 2p0k s SER 161 Cb -0.39 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.31 2p0k s SER 161 CO 0.48 -0.59 1.24 -2.84 0.41 0.00 0.00 173.24 171.94 2p0k s PRO 162 N -2.82 2.03 0.50 12.44 0.02 -1.26 -4.90 135.00 141.00 2p0k s PRO 162 Ca 0.62 1.88 0.27 0.00 0.02 0.00 0.00 61.00 63.78 2p0k s PRO 162 Cb -0.19 -1.81 1.26 0.00 0.02 0.00 0.00 34.50 33.78 2p0k s PRO 162 CO 0.23 -1.95 1.97 0.66 -0.33 0.00 0.00 177.00 177.59 2p0k h SER 163 N -0.30 0.00 -2.59 2.53 4.64 -1.96 -3.47 113.55 112.41 2p0k h SER 163 Ca -0.48 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.95 2p0k h SER 163 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 2p0k h SER 163 CO 0.49 0.15 0.49 0.00 -0.87 0.00 0.00 176.83 177.10 2p0k n HIS 164 N -3.47 -1.59 -2.48 4.77 1.44 -1.26 -5.10 115.22 107.53 2p0k n HIS 164 Ca -0.01 -1.38 -0.40 0.00 -2.01 0.00 0.00 57.72 53.92 2p0k n HIS 164 Cb 0.32 0.68 -0.03 0.00 0.12 0.00 0.00 29.99 31.07 2p0k n HIS 164 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 2p0k s ASN 165 N -3.26 6.06 0.13 4.39 3.84 -1.26 -4.84 114.94 119.99 2p0k s ASN 165 Ca 0.20 -0.44 0.27 0.00 0.21 0.00 0.00 52.86 53.10 2p0k s ASN 165 Cb -0.03 -2.56 0.92 0.00 -0.55 0.00 0.00 41.25 39.03 2p0k s ASN 165 CO 0.07 -1.89 1.79 0.49 -2.79 0.00 0.00 177.10 174.77 2p0k n PHE 166 N 9.84 0.57 -1.98 0.43 3.72 -1.26 -4.96 117.46 123.81 2p0k n PHE 166 Ca 0.08 0.16 -0.38 0.00 -0.05 0.00 0.00 57.45 57.27 2p0k n PHE 166 Cb 0.50 -0.76 0.02 0.00 -0.94 0.00 0.00 39.48 38.30 2p0k n PHE 166 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2p0k s PHE 167 N -3.07 2.52 0.03 1.38 0.08 -1.26 -5.00 117.98 112.66 2p0k s PHE 167 Ca 0.12 1.44 0.04 0.00 0.12 0.00 0.00 56.93 58.65 2p0k s PHE 167 Cb 0.15 -3.62 -0.02 0.00 -0.57 0.00 0.00 43.02 38.96 2p0k s PHE 167 CO 0.58 -2.31 -0.13 0.15 -0.10 0.00 0.00 175.22 173.41 2p0k s LYS 168 N -2.84 0.87 0.14 0.44 -0.14 -1.26 -4.95 119.74 112.00 2p0k s LYS 168 Ca 0.69 -0.66 -0.35 0.00 -1.36 0.00 0.00 55.97 54.29 2p0k s LYS 168 Cb -0.35 -0.85 -0.15 0.00 -1.68 0.00 0.00 37.83 34.81 2p0k s LYS 168 CO 0.42 0.21 1.52 -0.12 -0.76 0.00 0.00 175.35 176.62 2p0k n MET 169 N 2.09 1.90 0.00 1.68 0.00 -1.26 -1.76 117.12 119.77 2p0k n MET 169 Ca -0.17 0.68 0.00 0.00 -0.00 0.00 0.00 57.70 58.21 2p0k n MET 169 Cb 0.55 -2.42 0.00 0.00 0.00 0.00 0.00 33.22 31.35 2p0k n MET 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2p0k n GLY 170 N 3.18 1.96 3.76 -5.12 0.00 0.11 -4.98 105.19 104.10 2p0k n GLY 170 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2p0k n GLY 170 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2p0k s MET 171 N -0.78 3.41 0.17 1.61 -1.94 -0.72 -4.65 119.30 116.39 2p0k s MET 171 Ca 0.00 1.97 0.01 0.00 -1.71 0.00 0.00 55.69 55.97 2p0k s MET 171 Cb 0.00 -2.29 -0.04 0.00 2.01 0.00 0.00 34.83 34.51 2p0k s MET 171 CO 0.00 -0.89 0.32 0.15 -0.01 0.00 0.00 175.02 174.59 2p0k s LYS 172 N -2.86 3.47 0.35 2.03 1.02 0.16 -1.14 119.74 122.78 2p0k s LYS 172 Ca 0.68 -0.50 -0.14 0.00 0.02 0.00 0.00 55.97 56.03 2p0k s LYS 172 Cb -0.34 -2.92 0.06 0.00 -0.52 0.00 0.00 37.83 34.11 2p0k s LYS 172 CO 0.40 0.48 0.76 1.47 -0.92 0.00 0.00 175.35 177.54 2p0k n LEU 173 N -0.57 0.00 -4.57 3.17 -0.00 -0.43 -0.79 117.00 113.80 2p0k n LEU 173 Ca -0.06 -2.32 -0.34 0.00 -0.00 0.00 0.00 56.01 53.29 2p0k n LEU 173 Cb 0.54 3.50 -0.11 0.00 -0.00 0.00 0.00 43.42 47.34 2p0k n LEU 173 CO 0.49 -0.77 -0.39 -1.61 -0.00 0.00 0.00 177.39 175.11 2p0k s GLU 174 N -2.08 2.71 0.01 1.47 2.02 0.05 -1.02 118.70 121.86 2p0k s GLU 174 Ca 0.15 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.57 2p0k s GLU 174 Cb -0.04 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 2p0k s GLU 174 CO 0.11 0.66 -0.02 0.00 0.02 0.00 0.00 175.26 176.03 2p0k s ALA 175 N -0.81 0.09 0.22 5.21 0.00 -0.29 -0.64 121.76 125.53 2p0k s ALA 175 Ca 0.13 -0.27 -0.32 0.00 0.00 0.00 0.00 51.96 51.49 2p0k s ALA 175 Cb -0.11 0.06 -0.13 0.00 0.00 0.00 0.00 23.12 22.94 2p0k s ALA 175 CO 0.02 -0.06 1.53 0.28 0.00 0.00 0.00 175.76 177.52 2p0k n VAL 176 N 2.42 0.52 -1.88 0.00 0.31 -0.00 -0.68 118.33 119.03 2p0k n VAL 176 Ca -0.17 -0.13 -0.43 0.00 -0.01 0.00 0.00 64.34 63.60 2p0k n VAL 176 Cb 0.58 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.86 2p0k n VAL 176 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2p0k s ASP 177 N 0.63 6.10 0.38 4.52 -1.08 0.32 -4.82 116.67 122.73 2p0k s ASP 177 Ca 0.72 1.88 0.26 0.00 -0.52 0.00 0.00 52.55 54.89 2p0k s ASP 177 Cb -0.62 -2.53 0.73 0.00 -1.46 0.00 0.00 42.92 39.04 2p0k s ASP 177 CO 0.43 -1.44 1.74 -0.09 0.52 0.00 0.00 175.17 176.33 2p0k h ARG 178 N 12.05 0.00 0.00 4.34 2.43 -1.89 -2.19 114.38 129.12 2p0k h ARG 178 Ca -0.39 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.58 2p0k h ARG 178 Cb 1.19 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 2p0k h ARG 178 CO 0.98 0.00 -1.24 1.57 -1.51 0.00 0.00 179.97 179.77 2p0k h LYS 179 N 0.00 0.00 -1.66 0.20 5.09 -1.98 -3.43 116.57 114.79 2p0k h LYS 179 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 60.65 60.47 2p0k h LYS 179 Cb 0.77 0.00 -0.27 0.00 0.10 0.00 0.00 32.23 32.82 2p0k h LYS 179 CO 0.00 0.53 -0.61 1.21 -2.09 0.00 0.00 179.45 178.49 2p0k s ASN 180 N -6.19 0.34 0.00 7.07 2.47 -1.11 -5.03 114.94 112.49 2p0k s ASN 180 Ca -0.01 -1.31 0.10 0.00 0.42 0.00 0.00 52.86 52.06 2p0k s ASN 180 Cb 0.09 0.99 0.54 0.00 -1.45 0.00 0.00 41.25 41.42 2p0k s ASN 180 CO 0.80 -0.24 1.10 -2.65 -3.72 0.00 0.00 177.10 172.40 2p0k n PRO 181 N 4.33 0.23 -0.28 0.43 -0.02 -0.84 -1.50 135.00 137.35 2p0k n PRO 181 Ca 0.11 0.08 0.18 0.00 -2.02 0.00 0.00 63.50 61.85 2p0k n PRO 181 Cb 0.49 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.92 2p0k n PRO 181 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2p0k h HIS 182 N 0.00 0.70 -2.53 6.00 -0.00 -1.96 -3.44 115.15 113.93 2p0k h HIS 182 Ca 0.00 0.02 -0.54 0.00 -0.00 0.00 0.00 60.37 59.86 2p0k h HIS 182 Cb 0.04 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.20 2p0k h HIS 182 CO 0.00 0.17 -0.49 -0.06 -0.00 0.00 0.00 177.93 177.55 2p0k s PHE 183 N -5.55 3.39 -0.00 5.26 0.08 -0.56 -4.49 117.98 116.10 2p0k s PHE 183 Ca -0.09 0.06 0.08 0.00 0.12 0.00 0.00 56.93 57.10 2p0k s PHE 183 Cb 0.24 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 41.06 2p0k s PHE 183 CO 0.79 0.51 -0.25 0.42 -0.10 0.00 0.00 175.22 176.59 2p0k s ILE 184 N -1.79 1.95 0.05 0.64 1.01 0.70 -0.52 121.20 123.24 2p0k s ILE 184 Ca 0.34 -1.12 0.06 0.00 0.00 0.00 0.00 60.65 59.93 2p0k s ILE 184 Cb -0.10 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 2p0k s ILE 184 CO 0.27 0.49 -0.17 0.00 0.00 0.00 0.00 174.94 175.53 2p0k n PRO 186 N 1.68 2.70 -4.15 0.00 -0.02 -1.26 -1.13 135.00 132.82 2p0k n PRO 186 Ca -0.18 0.96 -0.11 0.00 -2.02 0.00 0.00 63.50 62.15 2p0k n PRO 186 Cb 0.54 -2.74 -0.09 0.00 -0.02 0.00 0.00 33.50 31.19 2p0k n PRO 186 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2p0k s ALA 187 N -0.05 0.85 0.01 3.55 0.00 -0.19 -2.15 121.76 123.79 2p0k s ALA 187 Ca 0.64 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2p0k s ALA 187 Cb -0.50 1.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 2p0k s ALA 187 CO 0.49 -0.58 -0.06 0.99 0.00 0.00 0.00 175.76 176.60 2p0k s THR 188 N -4.09 0.43 -0.12 0.00 2.01 0.38 -1.32 115.64 112.93 2p0k s THR 188 Ca 0.31 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 2p0k s THR 188 Cb 0.06 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 2p0k s THR 188 CO 0.07 -0.09 1.37 -0.63 -0.69 0.00 0.00 174.62 174.64 2p0k s ILE 189 N -0.63 4.08 -0.07 1.82 -1.09 -0.29 -1.42 121.20 123.60 2p0k s ILE 189 Ca -0.03 1.31 0.09 0.00 -2.23 0.00 0.00 60.65 59.79 2p0k s ILE 189 Cb -0.05 -3.85 -0.24 0.00 -1.58 0.00 0.00 42.46 36.74 2p0k s ILE 189 CO 0.00 -0.11 0.56 0.61 -1.23 0.00 0.00 174.94 174.77 2p0k n GLY 190 N 3.74 -0.90 3.54 6.18 0.00 0.72 0.05 105.19 118.51 2p0k n GLY 190 Ca 0.15 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2p0k n GLY 190 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2p0k s GLU 191 N -2.58 0.91 -0.11 1.61 2.12 -1.25 -4.81 118.70 114.58 2p0k s GLU 191 Ca -0.09 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.48 2p0k s GLU 191 Cb 0.08 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.89 2p0k s GLU 191 CO 0.81 -0.28 -0.19 0.08 -0.54 0.00 0.00 175.26 175.13 2p0k s VAL 192 N -1.19 2.50 -0.24 3.70 1.01 -1.26 -1.18 120.40 123.72 2p0k s VAL 192 Ca -0.08 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 2p0k s VAL 192 Cb -0.00 -1.99 0.08 0.00 0.00 0.00 0.00 36.38 34.46 2p0k s VAL 192 CO 0.07 0.55 0.07 -0.13 0.00 0.00 0.00 175.10 175.66 2p0k s ARG 193 N 0.26 0.60 7.19 2.72 0.52 -0.26 -5.02 118.95 124.97 2p0k s ARG 193 Ca -0.13 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 2p0k s ARG 193 Cb -0.17 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.37 2p0k s ARG 193 CO 0.07 -0.81 0.00 0.41 0.02 0.00 0.00 175.30 174.99 2p0k n GLY 194 N 5.02 4.06 0.16 -3.53 0.00 -1.26 -0.82 105.19 108.82 2p0k n GLY 194 Ca -0.06 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.24 2p0k n GLY 194 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2p0k n SER 195 N 7.63 0.53 -4.82 1.61 7.64 -1.26 -4.77 113.62 120.18 2p0k n SER 195 Ca 0.00 -1.03 -0.29 0.00 1.01 0.00 0.00 58.87 58.57 2p0k n SER 195 Cb 0.00 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.12 2p0k n SER 195 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2p0k s GLU 196 N -2.12 3.01 0.04 1.43 0.41 0.00 -0.80 118.70 120.68 2p0k s GLU 196 Ca 0.40 -0.70 0.04 0.00 -0.41 0.00 0.00 54.97 54.30 2p0k s GLU 196 Cb 0.21 -2.77 -0.02 0.00 -1.78 0.00 0.00 34.13 29.77 2p0k s GLU 196 CO 0.38 0.54 -0.11 0.14 -0.49 0.00 0.00 175.26 175.72 2p0k s VAL 197 N -1.55 0.87 -0.33 2.63 -7.23 0.14 -1.10 120.40 113.82 2p0k s VAL 197 Ca 0.31 -0.99 -0.17 0.00 -1.81 0.00 0.00 61.98 59.32 2p0k s VAL 197 Cb -0.12 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.98 2p0k s VAL 197 CO 0.24 -0.13 0.48 -0.22 -0.31 0.00 0.00 175.10 175.16 2p0k s LEU 198 N -1.25 4.29 -0.12 1.32 2.96 -0.33 -1.29 118.68 124.26 2p0k s LEU 198 Ca -0.02 0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 53.74 2p0k s LEU 198 Cb -0.08 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 2p0k s LEU 198 CO 0.01 -0.41 0.54 -0.69 -1.32 0.00 0.00 176.35 174.48 2p0k s VAL 199 N 2.30 5.14 -0.04 1.68 1.01 0.73 -0.20 120.40 131.02 2p0k s VAL 199 Ca 0.18 1.06 0.06 0.00 0.00 0.00 0.00 61.98 63.28 2p0k s VAL 199 Cb -0.16 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 2p0k s VAL 199 CO 0.12 0.28 -0.22 0.42 0.00 0.00 0.00 175.10 175.70 2p0k s THR 200 N 0.88 1.78 -0.22 3.92 -4.23 -0.51 -2.01 115.64 115.26 2p0k s THR 200 Ca 0.28 -0.93 -0.18 0.00 -1.18 0.00 0.00 61.69 59.69 2p0k s THR 200 Cb -0.16 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 2p0k s THR 200 CO 0.12 0.50 0.49 -0.36 -0.54 0.00 0.00 174.62 174.83 2p0k s PHE 201 N -0.18 3.35 0.18 3.99 0.08 -1.26 -0.47 117.98 123.67 2p0k s PHE 201 Ca -0.01 0.70 -0.32 0.00 0.12 0.00 0.00 56.93 57.43 2p0k s PHE 201 Cb -0.12 -2.65 -0.12 0.00 -0.57 0.00 0.00 43.02 39.56 2p0k s PHE 201 CO 0.02 -0.13 1.75 -0.25 -0.10 0.00 0.00 175.22 176.51 2p0k n ASP 202 N 4.91 3.98 0.00 1.36 9.92 -0.91 -1.82 116.55 133.99 2p0k n ASP 202 Ca -0.05 1.04 0.00 0.00 -0.53 0.00 0.00 54.79 55.25 2p0k n ASP 202 Cb 0.50 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 2p0k n ASP 202 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2p0k n GLY 203 N 4.02 1.85 0.53 0.44 0.00 -1.26 -4.70 105.19 106.08 2p0k n GLY 203 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2p0k n GLY 203 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2p0k n TRP 204 N -2.00 0.04 -3.97 1.61 7.02 -0.76 -4.96 117.44 114.43 2p0k n TRP 204 Ca 0.00 -0.02 -0.31 0.00 -1.02 0.00 0.00 57.50 56.15 2p0k n TRP 204 Cb 0.00 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 28.90 2p0k n TRP 204 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2p0k n ARG 205 N 0.30 -4.85 0.00 -0.99 1.74 -1.26 -1.57 116.66 110.02 2p0k n ARG 205 Ca 0.18 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2p0k n ARG 205 Cb 0.37 -5.33 0.00 0.00 -1.02 0.00 0.00 32.46 26.48 2p0k n ARG 205 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2p0k n GLY 206 N -1.64 3.36 3.73 -0.13 0.00 -1.26 -5.04 105.19 104.22 2p0k n GLY 206 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2p0k n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p0k n ALA 207 N -1.45 2.45 -1.32 4.61 0.00 -0.61 -2.21 120.51 121.98 2p0k n ALA 207 Ca 0.00 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.71 2p0k n ALA 207 Cb 0.00 -2.46 -0.05 0.00 0.00 0.00 0.00 19.45 16.95 2p0k n ALA 207 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2p0k n PHE 208 N 2.49 0.00 -1.60 0.00 3.72 -1.26 -4.63 117.46 116.17 2p0k n PHE 208 Ca 0.10 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.06 2p0k n PHE 208 Cb 0.36 -2.46 -0.01 0.00 -0.94 0.00 0.00 39.48 36.43 2p0k n PHE 208 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2p0k n ASP 209 N -0.73 1.47 -3.61 4.37 9.92 -0.94 -4.87 116.55 122.17 2p0k n ASP 209 Ca -0.11 1.18 -0.14 0.00 -0.53 0.00 0.00 54.79 55.19 2p0k n ASP 209 Cb 0.50 -1.32 -0.06 0.00 -0.64 0.00 0.00 41.12 39.61 2p0k n ASP 209 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2p0k s TYR 210 N -1.08 -0.37 -0.01 1.24 -0.85 -0.85 -5.00 117.35 110.44 2p0k s TYR 210 Ca 0.58 0.40 -0.14 0.00 -0.52 0.00 0.00 57.07 57.39 2p0k s TYR 210 Cb -0.68 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 41.90 2p0k s TYR 210 CO 0.60 -0.61 0.37 -1.58 -1.52 0.00 0.00 175.55 172.82 2p0k s TRP 211 N -2.39 3.71 0.13 -3.49 0.52 -1.26 -0.19 118.94 115.97 2p0k s TRP 211 Ca -0.06 0.93 -0.04 0.00 0.02 0.00 0.00 56.10 56.96 2p0k s TRP 211 Cb -0.01 -2.24 -0.03 0.00 -1.15 0.00 0.00 33.47 30.04 2p0k s TRP 211 CO -0.01 0.66 0.12 0.00 0.02 0.00 0.00 176.95 177.74 2p0k s ARG 213 N -4.00 3.78 0.62 0.00 3.52 -1.26 -0.69 118.95 120.92 2p0k s ARG 213 Ca 0.20 0.83 0.39 0.00 -0.13 0.00 0.00 55.73 57.02 2p0k s ARG 213 Cb 0.06 -2.13 2.01 0.00 -1.56 0.00 0.00 34.95 33.34 2p0k s ARG 213 CO -0.00 -0.39 2.23 0.27 -0.81 0.00 0.00 175.30 176.60 2p0k h PHE 214 N 0.38 0.00 -0.32 5.12 -5.15 -1.31 -1.17 116.94 114.48 2p0k h PHE 214 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 2p0k h PHE 214 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 2p0k h PHE 214 CO 0.65 0.02 0.00 -0.40 -2.00 0.00 0.00 178.31 176.57 2p0k n ASP 215 N -3.21 1.81 -4.65 -0.68 5.75 -1.26 -4.43 116.55 109.88 2p0k n ASP 215 Ca -0.02 -1.97 -0.43 0.00 -0.01 0.00 0.00 54.79 52.37 2p0k n ASP 215 Cb 0.15 -0.22 -0.01 0.00 -1.03 0.00 0.00 41.12 40.02 2p0k n ASP 215 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2p0k n SER 216 N 0.48 2.04 -0.39 -1.12 2.88 -0.44 -4.67 113.62 112.40 2p0k n SER 216 Ca 0.12 1.17 0.14 0.00 -1.33 0.00 0.00 58.87 58.97 2p0k n SER 216 Cb 0.29 -1.40 0.60 0.00 -0.75 0.00 0.00 64.21 62.95 2p0k n SER 216 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2p0k n ARG 217 N 0.53 1.52 -0.12 -1.46 5.12 -1.26 -3.93 116.66 117.07 2p0k n ARG 217 Ca 0.07 -0.78 0.11 0.00 -1.93 0.00 0.00 57.85 55.32 2p0k n ARG 217 Cb 0.35 -1.48 0.31 0.00 -1.16 0.00 0.00 32.46 30.48 2p0k n ARG 217 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2p0k n ASP 218 N -0.06 2.23 -4.26 0.55 8.00 -1.26 -4.87 116.55 116.87 2p0k n ASP 218 Ca 0.20 -1.81 -0.25 0.00 0.71 0.00 0.00 54.79 53.63 2p0k n ASP 218 Cb 0.31 -0.15 -0.14 0.00 -0.02 0.00 0.00 41.12 41.12 2p0k n ASP 218 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2p0k s ILE 219 N -1.69 1.69 0.03 0.53 -4.36 -1.25 -0.82 121.20 115.31 2p0k s ILE 219 Ca 0.34 -1.28 -0.03 0.00 -0.26 0.00 0.00 60.65 59.42 2p0k s ILE 219 Cb 0.19 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 42.40 2p0k s ILE 219 CO 0.27 0.15 0.03 -0.36 0.24 0.00 0.00 174.94 175.27 2p0k s PHE 220 N -0.88 0.26 0.72 1.37 0.08 0.18 -4.83 117.98 114.88 2p0k s PHE 220 Ca 0.07 -0.58 -0.15 0.00 0.12 0.00 0.00 56.93 56.40 2p0k s PHE 220 Cb -0.09 -0.19 0.03 0.00 -0.57 0.00 0.00 43.02 42.20 2p0k s PHE 220 CO 0.02 -0.30 1.18 -1.25 -0.10 0.00 0.00 175.22 174.77 2p0k s PRO 221 N -2.30 2.29 0.12 0.24 0.04 -1.26 -0.77 135.00 133.36 2p0k s PRO 221 Ca -0.08 1.65 -0.35 0.00 0.04 0.00 0.00 61.00 62.26 2p0k s PRO 221 Cb -0.03 -1.86 -0.16 0.00 0.04 0.00 0.00 34.50 32.48 2p0k s PRO 221 CO -0.04 -1.70 1.29 0.28 0.04 0.00 0.00 177.00 176.88 2p0k n VAL 222 N -2.68 0.35 -0.40 -0.36 0.31 -1.26 -2.18 118.33 112.10 2p0k n VAL 222 Ca 0.12 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2p0k n VAL 222 Cb 0.51 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 2p0k n VAL 222 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2p0k n GLY 223 N 2.37 0.88 0.13 2.92 0.00 -1.26 -4.96 105.19 105.27 2p0k n GLY 223 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 2p0k n GLY 223 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2p0k h TRP 224 N 0.00 0.02 -0.50 1.61 2.91 -1.79 -0.70 115.95 117.50 2p0k h TRP 224 Ca 0.00 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.10 2p0k h TRP 224 Cb 0.00 0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 28.63 2p0k h TRP 224 CO 0.00 -0.02 0.21 0.00 -1.03 0.00 0.00 178.44 177.59 2p0k h SER 226 N 0.40 0.19 -0.75 0.00 4.64 -1.80 0.18 113.55 116.41 2p0k h SER 226 Ca 0.23 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2p0k h SER 226 Cb 0.21 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 2p0k h SER 226 CO -0.21 0.84 0.49 0.25 -0.87 0.00 0.00 176.83 177.33 2p0k h LEU 227 N 0.11 0.87 0.00 5.97 5.85 -0.37 -3.30 115.31 124.45 2p0k h LEU 227 Ca -0.02 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2p0k h LEU 227 Cb 1.26 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2p0k h LEU 227 CO 0.10 0.64 -1.10 0.35 -0.34 0.00 0.00 178.44 178.10 2p0k n THR 228 N -4.55 0.00 -0.84 1.05 -2.24 0.23 -4.98 114.28 102.95 2p0k n THR 228 Ca 0.07 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2p0k n THR 228 Cb 0.02 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 2p0k n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p0k n GLY 229 N 1.43 0.85 3.79 3.38 0.00 0.48 -4.01 105.19 111.12 2p0k n GLY 229 Ca 0.02 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 2p0k n GLY 229 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2p0k n ASP 230 N 1.14 0.98 -4.33 1.61 4.64 -0.29 -3.82 116.55 116.48 2p0k n ASP 230 Ca 0.00 -1.93 -0.46 0.00 -1.38 0.00 0.00 54.79 51.02 2p0k n ASP 230 Cb 0.13 -0.73 -0.04 0.00 -1.04 0.00 0.00 41.12 39.44 2p0k n ASP 230 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 2p0k s ASN 231 N -5.20 6.41 -0.23 1.67 0.02 -1.26 -4.72 114.94 111.62 2p0k s ASN 231 Ca 0.67 -2.06 -0.22 0.00 -1.02 0.00 0.00 52.86 50.24 2p0k s ASN 231 Cb -0.03 -2.23 -0.02 0.00 0.02 0.00 0.00 41.25 38.99 2p0k s ASN 231 CO 0.45 -0.81 0.71 -0.22 0.02 0.00 0.00 177.10 177.25 2p0k s LEU 232 N 1.33 4.09 -0.41 0.60 2.96 -1.26 -0.21 118.68 125.78 2p0k s LEU 232 Ca 0.11 0.88 -0.19 0.00 -0.22 0.00 0.00 54.13 54.71 2p0k s LEU 232 Cb -0.21 -3.00 0.02 0.00 0.50 0.00 0.00 46.19 43.49 2p0k s LEU 232 CO -0.01 -0.40 0.53 -1.58 -1.32 0.00 0.00 176.35 173.57 2p0k s GLN 233 N 2.46 3.30 0.70 1.98 2.00 0.32 -4.93 119.66 125.50 2p0k s GLN 233 Ca 0.30 -0.47 -0.16 0.00 -2.00 0.00 0.00 55.36 53.03 2p0k s GLN 233 Cb -0.16 -3.92 0.02 0.00 0.80 0.00 0.00 33.01 29.76 2p0k s GLN 233 CO 0.09 -0.85 1.26 -1.25 -0.50 0.00 0.00 175.29 174.04 2p0k s PRO 234 N 2.44 2.26 0.00 1.67 0.04 -1.26 -4.21 135.00 135.94 2p0k s PRO 234 Ca 0.17 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2p0k s PRO 234 Cb -0.16 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2p0k s PRO 234 CO 0.15 -1.79 0.31 -2.30 0.04 0.00 0.00 177.00 173.41