#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crp s SER 2 N 0.00 3.83 0.08 1.61 0.01 -1.26 -5.04 113.70 112.93 2crp s SER 2 Ca 0.00 -0.34 -0.19 0.00 1.31 0.00 0.00 55.95 56.72 2crp s SER 2 Cb 0.00 -0.68 -0.09 0.00 0.21 0.00 0.00 66.02 65.46 2crp s SER 2 CO 0.00 0.29 1.52 0.77 0.41 0.00 0.00 173.24 176.23 2crp h SER 3 N 4.89 0.38 0.00 2.44 4.64 -2.13 -3.49 113.55 120.29 2crp h SER 3 Ca -0.47 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.55 2crp h SER 3 Cb 1.15 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2crp h SER 3 CO 0.49 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.65 2crp n GLY 4 N -0.33 3.33 0.23 -0.77 0.00 -1.26 -5.03 105.19 101.36 2crp n GLY 4 Ca -0.04 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 2crp n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2crp h SER 5 N 0.00 -0.43 -3.65 1.61 0.02 -2.06 -3.45 113.55 105.59 2crp h SER 5 Ca 0.00 -0.14 -0.46 0.00 -0.84 0.00 0.00 61.79 60.35 2crp h SER 5 Cb 0.00 0.11 0.09 0.00 0.14 0.00 0.00 62.40 62.74 2crp h SER 5 CO 0.00 -0.01 0.25 -0.44 -1.14 0.00 0.00 176.83 175.48 2crp s SER 6 N -5.01 4.52 -0.23 3.07 0.01 -1.26 -5.11 113.70 109.70 2crp s SER 6 Ca -0.13 0.35 -0.11 0.00 1.31 0.00 0.00 55.95 57.38 2crp s SER 6 Cb 0.02 -0.88 0.08 0.00 0.21 0.00 0.00 66.02 65.45 2crp s SER 6 CO 0.46 -1.79 0.53 -0.83 0.41 0.00 0.00 173.24 172.01 2crp s GLY 7 N -4.59 -0.49 0.02 3.44 0.00 -1.26 -5.05 107.32 99.38 2crp s GLY 7 Ca 0.63 1.90 -0.22 0.00 0.00 0.00 0.00 44.72 47.03 2crp s GLY 7 CO 0.46 2.29 1.32 -0.56 0.00 0.00 0.00 173.10 176.61 2crp h PRO 8 N 7.50 0.25 -3.07 2.90 0.13 -2.02 -3.47 132.00 134.23 2crp h PRO 8 Ca -0.27 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2crp h PRO 8 Cb 1.16 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 2crp h PRO 8 CO 0.18 0.67 0.17 -1.21 -0.23 0.00 0.00 178.00 177.59 2crp s GLU 9 N -4.28 1.42 -0.29 0.86 2.02 -1.26 -5.18 118.70 112.00 2crp s GLU 9 Ca -0.15 -0.68 -0.17 0.00 0.02 0.00 0.00 54.97 53.99 2crp s GLU 9 Cb 0.04 0.58 0.18 0.00 0.10 0.00 0.00 34.13 35.03 2crp s GLU 9 CO 0.73 -0.63 1.15 -1.59 0.02 0.00 0.00 175.26 174.95 2crp s LYS 10 N -3.82 0.20 0.00 1.61 0.00 -1.26 -5.01 119.74 111.46 2crp s LYS 10 Ca 0.05 0.33 0.15 0.00 0.00 0.00 0.00 55.97 56.50 2crp s LYS 10 Cb -0.02 0.05 0.89 0.00 0.00 0.00 0.00 37.83 38.74 2crp s LYS 10 CO -0.06 -0.04 1.30 -0.35 0.00 0.00 0.00 175.35 176.20 2crp n PRO 11 N 3.15 0.49 -0.13 1.78 -0.04 -1.26 -3.47 135.00 135.53 2crp n PRO 11 Ca -0.17 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.24 2crp n PRO 11 Cb 0.57 -1.47 0.03 0.00 -0.04 0.00 0.00 33.50 32.59 2crp n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2crp h ALA 12 N 2.93 0.52 -0.08 0.55 0.00 -2.05 -3.13 119.26 117.99 2crp h ALA 12 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2crp h ALA 12 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2crp h ALA 12 CO 0.00 -0.19 -0.12 -0.22 0.00 0.00 0.00 179.25 178.72 2crp h LYS 13 N 0.38 -0.09 0.00 0.00 3.64 -2.02 -3.46 116.57 115.02 2crp h LYS 13 Ca 0.19 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 2crp h LYS 13 Cb 0.13 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2crp h LYS 13 CO -0.16 -0.06 0.00 0.25 -2.27 0.00 0.00 179.45 177.22 2crp n THR 14 N -3.26 0.00 -4.48 1.00 -2.24 -1.18 -5.19 114.28 98.92 2crp n THR 14 Ca -0.01 -0.97 -0.25 0.00 -2.27 0.00 0.00 64.05 60.55 2crp n THR 14 Cb 0.07 0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 68.92 2crp n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2crp n GLN 15 N -0.37 0.56 -4.41 -0.78 10.64 -1.26 -4.72 117.38 117.04 2crp n GLN 15 Ca -0.02 -3.44 -0.29 0.00 -1.83 0.00 0.00 57.00 51.42 2crp n GLN 15 Cb 0.38 1.96 -0.07 0.00 -0.86 0.00 0.00 30.24 31.66 2crp n GLN 15 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2crp s LYS 16 N -3.54 2.17 0.02 2.61 1.02 -1.26 -4.94 119.74 115.82 2crp s LYS 16 Ca 0.23 -2.14 0.08 0.00 0.02 0.00 0.00 55.97 54.16 2crp s LYS 16 Cb 0.01 -1.77 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 2crp s LYS 16 CO 0.16 -0.29 -0.24 0.99 -0.92 0.00 0.00 175.35 175.05 2crp s THR 17 N -2.76 1.92 -0.03 2.17 2.01 -1.26 -5.01 115.64 112.68 2crp s THR 17 Ca 0.25 -1.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 2crp s THR 17 Cb 0.03 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2crp s THR 17 CO 0.14 0.38 0.09 -0.44 -0.69 0.00 0.00 174.62 174.10 2crp s SER 18 N -0.99 5.80 0.10 3.53 0.01 -1.26 -4.96 113.70 115.93 2crp s SER 18 Ca 0.10 0.22 -0.24 0.00 1.31 0.00 0.00 55.95 57.33 2crp s SER 18 Cb -0.09 -1.71 -0.08 0.00 0.21 0.00 0.00 66.02 64.34 2crp s SER 18 CO 0.01 0.31 1.41 0.25 0.41 0.00 0.00 173.24 175.62 2crp h LEU 19 N 4.34 -1.41 -1.10 2.44 7.12 -1.93 0.86 115.31 125.63 2crp h LEU 19 Ca -0.50 0.19 0.00 0.00 0.13 0.00 0.00 57.88 57.69 2crp h LEU 19 Cb 1.19 0.58 0.00 0.00 -0.53 0.00 0.00 40.66 41.90 2crp h LEU 19 CO 0.61 -0.29 0.61 0.44 -0.13 0.00 0.00 178.44 179.67 2crp h ASP 20 N -0.28 0.00 0.00 1.25 3.32 -1.99 -0.67 116.42 118.04 2crp h ASP 20 Ca 0.06 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 2crp h ASP 20 Cb 0.44 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2crp h ASP 20 CO -0.46 0.00 -0.69 -0.08 -1.72 0.00 0.00 179.24 176.29 2crp h GLU 21 N 0.00 0.00 -1.66 3.56 4.57 0.20 -3.30 114.58 117.95 2crp h GLU 21 Ca 0.00 0.00 0.49 0.00 -1.18 0.00 0.00 59.36 58.67 2crp h GLU 21 Cb 1.21 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.72 2crp h GLU 21 CO 0.00 0.34 1.17 0.00 -1.18 0.00 0.00 179.01 179.34 2crp h ALA 22 N -0.81 3.44 0.01 2.92 0.00 0.80 1.57 119.26 127.20 2crp h ALA 22 Ca -0.11 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 2crp h ALA 22 Cb 0.73 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2crp h ALA 22 CO -0.07 -1.98 -0.97 -0.07 0.00 0.00 0.00 179.25 176.17 2crp h LEU 23 N 0.02 0.56 -2.15 0.00 3.38 -1.63 -3.14 115.31 112.36 2crp h LEU 23 Ca 0.83 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 58.38 2crp h LEU 23 Cb 3.17 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 43.75 2crp h LEU 23 CO -0.11 1.26 0.30 1.56 0.09 0.00 0.00 178.44 181.53 2crp h GLN 24 N 0.23 0.00 0.00 1.13 4.20 0.22 0.39 115.11 121.28 2crp h GLN 24 Ca -0.09 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 2crp h GLN 24 Cb 1.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.39 2crp h GLN 24 CO 0.17 0.00 -0.19 -1.49 -0.67 0.00 0.00 178.83 176.65 2crp h TRP 25 N 0.00 0.00 -0.23 2.96 6.55 -1.48 -3.09 115.95 120.67 2crp h TRP 25 Ca 0.05 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.79 2crp h TRP 25 Cb 0.64 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.94 2crp h TRP 25 CO 0.00 0.19 -0.26 0.00 -1.05 0.00 0.00 178.44 177.32 2crp h ARG 26 N 0.00 0.57 0.53 0.49 3.08 -0.40 -3.32 114.38 115.34 2crp h ARG 26 Ca -0.00 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 2crp h ARG 26 Cb 0.70 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2crp h ARG 26 CO 0.02 0.91 -0.41 -0.44 -1.07 0.00 0.00 179.97 178.99 2crp h ASP 27 N 0.27 -1.07 -3.35 7.04 3.32 -1.61 -3.43 116.42 117.59 2crp h ASP 27 Ca 0.03 0.07 -0.52 0.00 0.02 0.00 0.00 57.03 56.64 2crp h ASP 27 Cb 0.82 0.33 -0.34 0.00 0.22 0.00 0.00 39.33 40.36 2crp h ASP 27 CO 0.06 -0.58 -0.81 -0.55 -1.72 0.00 0.00 179.24 175.64 2crp s SER 28 N -3.84 1.87 0.37 6.45 0.15 -1.22 -5.02 113.70 112.47 2crp s SER 28 Ca -0.15 -0.30 0.15 0.00 0.70 0.00 0.00 55.95 56.35 2crp s SER 28 Cb 0.03 -0.82 0.99 0.00 -1.71 0.00 0.00 66.02 64.51 2crp s SER 28 CO 0.48 -0.01 1.79 0.25 1.20 0.00 0.00 173.24 176.95 2crp h LEU 29 N 7.34 0.54 -0.59 3.45 5.85 -1.83 -1.68 115.31 128.38 2crp h LEU 29 Ca -0.31 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.58 2crp h LEU 29 Cb 1.17 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.08 2crp h LEU 29 CO 0.46 0.16 -0.41 0.44 -0.34 0.00 0.00 178.44 178.74 2crp h ASP 30 N 0.50 -1.42 -1.08 1.25 5.19 -1.95 0.70 116.42 119.61 2crp h ASP 30 Ca 0.56 0.24 0.31 0.00 -0.62 0.00 0.00 57.03 57.53 2crp h ASP 30 Cb 1.25 0.66 -0.04 0.00 0.18 0.00 0.00 39.33 41.37 2crp h ASP 30 CO -0.30 -0.33 1.00 0.11 -3.12 0.00 0.00 179.24 176.60 2crp h LYS 31 N -0.21 0.00 0.03 3.56 1.79 -1.59 0.43 116.57 120.58 2crp h LYS 31 Ca 0.19 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.62 2crp h LYS 31 Cb 0.56 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2crp h LYS 31 CO -0.69 0.00 -0.19 1.25 -1.08 0.00 0.00 179.45 178.74 2crp h LEU 32 N 0.00 0.11 -0.67 2.94 5.85 0.28 -2.89 115.31 120.93 2crp h LEU 32 Ca 0.51 -0.98 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 2crp h LEU 32 Cb 2.50 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 43.47 2crp h LEU 32 CO -0.01 1.09 0.22 -0.07 -0.34 0.00 0.00 178.44 179.33 2crp h LEU 33 N -0.85 0.96 -1.05 2.25 3.38 0.21 0.23 115.31 120.44 2crp h LEU 33 Ca -0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 2crp h LEU 33 Cb 1.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2crp h LEU 33 CO 0.04 0.91 0.09 0.06 0.09 0.00 0.00 178.44 179.63 2crp h GLN 34 N 0.97 0.77 -6.24 1.13 -0.00 -0.69 -3.39 115.11 107.65 2crp h GLN 34 Ca 0.22 -0.16 -0.54 0.00 -0.00 0.00 0.00 58.65 58.16 2crp h GLN 34 Cb 0.29 -0.11 -0.08 0.00 -0.00 0.00 0.00 27.48 27.58 2crp h GLN 34 CO -0.01 0.72 1.17 1.21 -0.00 0.00 0.00 178.83 181.92 2crp s ASN 35 N -6.61 6.08 0.14 0.06 3.84 -1.02 -4.89 114.94 112.54 2crp s ASN 35 Ca -0.09 -0.54 -0.12 0.00 0.21 0.00 0.00 52.86 52.31 2crp s ASN 35 Cb 0.15 -2.56 0.12 0.00 -0.55 0.00 0.00 41.25 38.42 2crp s ASN 35 CO 0.80 -1.88 0.98 -0.46 -2.79 0.00 0.00 177.10 173.75 2crp n ASN 36 N 9.87 -0.45 -0.01 -4.21 0.23 -1.26 0.14 115.26 119.57 2crp n ASN 36 Ca 0.12 1.10 -0.09 0.00 -0.53 0.00 0.00 54.58 55.19 2crp n ASN 36 Cb 0.50 -0.24 -0.03 0.00 -2.08 0.00 0.00 39.78 37.93 2crp n ASN 36 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2crp h TYR 37 N 0.00 -0.37 -0.09 -2.53 3.20 -1.90 -0.22 116.97 115.06 2crp h TYR 37 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2crp h TYR 37 Cb 0.36 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 2crp h TYR 37 CO -0.57 -0.22 0.06 0.78 -1.64 0.00 0.00 178.16 176.57 2crp h GLY 38 N -0.17 0.13 0.46 1.82 0.00 0.10 -2.71 103.07 102.69 2crp h GLY 38 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2crp h GLY 38 CO -0.26 0.05 -0.45 -2.00 0.00 0.00 0.00 176.54 173.88 2crp h LEU 39 N 0.10 -1.24 -0.88 3.11 5.85 0.16 0.31 115.31 122.73 2crp h LEU 39 Ca 0.03 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.94 2crp h LEU 39 Cb 0.02 0.41 -0.11 0.00 0.37 0.00 0.00 40.66 41.34 2crp h LEU 39 CO -0.01 -0.60 -0.57 0.00 -0.34 0.00 0.00 178.44 176.93 2crp h ALA 40 N -1.01 -0.55 -0.58 1.25 0.00 -1.05 0.18 119.26 117.50 2crp h ALA 40 Ca -0.06 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2crp h ALA 40 Cb 0.78 1.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 2crp h ALA 40 CO -0.05 -0.96 0.37 1.03 0.00 0.00 0.00 179.25 179.63 2crp h SER 41 N -0.08 0.62 -0.81 0.00 0.87 -1.35 -2.37 113.55 110.44 2crp h SER 41 Ca 0.15 -0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.86 2crp h SER 41 Cb 0.46 -0.14 -0.10 0.00 -0.44 0.00 0.00 62.40 62.18 2crp h SER 41 CO -0.87 0.44 0.36 0.15 -0.53 0.00 0.00 176.83 176.38 2crp h PHE 42 N 0.74 0.63 0.68 2.24 3.57 0.24 -2.19 116.94 122.84 2crp h PHE 42 Ca 0.23 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2crp h PHE 42 Cb -0.03 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.56 2crp h PHE 42 CO -0.05 0.10 -0.35 0.87 -2.23 0.00 0.00 178.31 176.66 2crp h LYS 43 N 0.51 -0.90 -0.96 1.11 1.57 -0.39 -2.93 116.57 114.58 2crp h LYS 43 Ca 0.45 0.06 0.26 0.00 -1.87 0.00 0.00 60.65 59.54 2crp h LYS 43 Cb 0.68 0.21 -0.18 0.00 0.08 0.00 0.00 32.23 33.02 2crp h LYS 43 CO -0.40 -0.60 0.02 1.03 -0.57 0.00 0.00 179.45 178.93 2crp h SER 44 N -0.94 -0.46 -0.94 0.86 0.87 -1.28 0.94 113.55 112.60 2crp h SER 44 Ca -0.09 0.27 0.18 0.00 -1.23 0.00 0.00 61.79 60.92 2crp h SER 44 Cb 0.73 0.47 -0.10 0.00 -0.44 0.00 0.00 62.40 63.05 2crp h SER 44 CO 0.14 -0.33 0.53 0.15 -0.53 0.00 0.00 176.83 176.79 2crp h PHE 45 N 0.03 0.93 0.29 2.24 3.57 -1.23 -2.12 116.94 120.65 2crp h PHE 45 Ca 0.57 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 62.09 2crp h PHE 45 Cb 1.15 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2crp h PHE 45 CO -0.49 0.19 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.56 2crp h LEU 46 N 0.68 -0.33 -1.54 0.59 3.38 0.10 -2.75 115.31 115.44 2crp h LEU 46 Ca 0.54 -0.19 0.50 0.00 0.09 0.00 0.00 57.88 58.82 2crp h LEU 46 Cb 0.84 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 2crp h LEU 46 CO -0.39 0.05 1.03 0.29 0.09 0.00 0.00 178.44 179.51 2crp n LYS 47 N -5.11 -0.03 0.11 1.13 5.02 -0.82 0.23 118.16 118.69 2crp n LYS 47 Ca -0.09 1.21 -0.18 0.00 -2.02 0.00 0.00 58.31 57.23 2crp n LYS 47 Cb 0.26 -2.49 -0.13 0.00 -0.02 0.00 0.00 35.03 32.66 2crp n LYS 47 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2crp h SER 48 N 0.00 0.56 -0.35 4.39 0.87 -1.37 -3.21 113.55 114.44 2crp h SER 48 Ca 0.90 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2crp h SER 48 Cb 3.09 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 64.87 2crp h SER 48 CO -0.35 1.42 0.00 -0.62 -0.53 0.00 0.00 176.83 176.75 2crp n GLU 49 N -3.62 2.91 -2.75 2.24 -0.58 0.63 -4.88 120.64 114.58 2crp n GLU 49 Ca -0.10 -1.71 -0.11 0.00 -0.42 0.00 0.00 57.16 54.82 2crp n GLU 49 Cb 1.00 -1.79 -0.01 0.00 -0.57 0.00 0.00 31.44 30.08 2crp n GLU 49 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2crp n PHE 50 N 0.44 -1.71 -1.50 -0.32 -1.74 0.65 -4.77 117.46 108.51 2crp n PHE 50 Ca 0.15 0.12 0.07 0.00 -0.56 0.00 0.00 57.45 57.23 2crp n PHE 50 Cb 0.68 -1.99 0.19 0.00 1.52 0.00 0.00 39.48 39.88 2crp n PHE 50 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2crp n SER 51 N -1.80 1.83 0.22 5.98 7.64 -0.98 -4.69 113.62 121.81 2crp n SER 51 Ca -0.05 -3.68 0.09 0.00 1.01 0.00 0.00 58.87 56.24 2crp n SER 51 Cb 0.54 -0.50 0.43 0.00 -1.01 0.00 0.00 64.21 63.67 2crp n SER 51 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2crp h GLU 52 N 0.78 0.00 -0.11 1.43 4.81 -1.86 -2.95 114.58 116.67 2crp h GLU 52 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2crp h GLU 52 Cb 1.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2crp h GLU 52 CO 0.00 0.24 0.02 1.05 -0.73 0.00 0.00 179.01 179.60 2crp h GLU 53 N 0.00 0.15 0.19 1.92 4.11 -1.87 -1.87 114.58 117.21 2crp h GLU 53 Ca -0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2crp h GLU 53 Cb 0.78 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2crp h GLU 53 CO 0.03 0.15 -0.13 -0.91 0.07 0.00 0.00 179.01 178.22 2crp h ASN 54 N 0.15 -0.33 -0.38 3.06 4.21 -1.81 -2.50 115.58 117.99 2crp h ASN 54 Ca 0.04 0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.51 2crp h ASN 54 Cb 0.07 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 2crp h ASN 54 CO -0.00 -0.21 0.01 0.25 -1.29 0.00 0.00 177.43 176.19 2crp h LEU 55 N -0.32 0.65 -0.56 1.61 6.46 -1.65 -3.19 115.31 118.31 2crp h LEU 55 Ca -0.01 -0.30 0.09 0.00 -0.12 0.00 0.00 57.88 57.53 2crp h LEU 55 Cb 0.27 -0.17 -0.11 0.00 -0.73 0.00 0.00 40.66 39.92 2crp h LEU 55 CO 0.01 0.79 -0.40 -0.33 -0.62 0.00 0.00 178.44 177.89 2crp h GLU 56 N 0.49 -0.21 -0.99 1.25 4.39 -1.20 0.47 114.58 118.77 2crp h GLU 56 Ca 0.11 0.01 0.25 0.00 0.34 0.00 0.00 59.36 60.07 2crp h GLU 56 Cb 0.45 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.08 2crp h GLU 56 CO 0.02 -0.14 0.66 0.35 -1.16 0.00 0.00 179.01 178.73 2crp h PHE 57 N -0.22 0.52 0.47 4.33 3.57 -1.43 -1.07 116.94 123.11 2crp h PHE 57 Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2crp h PHE 57 Cb 0.56 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2crp h PHE 57 CO -0.67 0.09 -0.22 2.35 -2.23 0.00 0.00 178.31 177.62 2crp h TRP 58 N 0.35 -0.58 -0.84 0.41 7.01 -0.16 -1.89 115.95 120.25 2crp h TRP 58 Ca 0.53 -0.01 0.21 0.00 2.11 0.00 0.00 58.89 61.73 2crp h TRP 58 Cb 1.45 0.19 -0.13 0.00 -2.10 0.00 0.00 29.16 28.56 2crp h TRP 58 CO -0.00 -0.36 0.21 0.82 -2.79 0.00 0.00 178.44 176.31 2crp h ILE 59 N -1.03 0.36 0.09 2.65 2.04 -0.61 -0.37 117.51 120.64 2crp h ILE 59 Ca -0.06 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2crp h ILE 59 Cb 0.48 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2crp h ILE 59 CO 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 178.15 178.25 2crp h ALA 60 N 1.74 -0.13 -0.75 1.87 0.00 -1.27 -2.12 119.26 118.61 2crp h ALA 60 Ca 0.51 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.47 2crp h ALA 60 Cb 0.98 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.69 2crp h ALA 60 CO -0.62 -0.51 -0.31 0.00 0.00 0.00 0.00 179.25 177.81 2crp h GLU 62 N -0.08 0.73 0.00 0.00 4.39 -1.36 -1.46 114.58 116.80 2crp h GLU 62 Ca 0.31 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 2crp h GLU 62 Cb 0.57 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2crp h GLU 62 CO -0.80 0.58 -0.00 0.22 -1.16 0.00 0.00 179.01 177.85 2crp h ASP 63 N 0.69 0.00 0.48 1.42 1.82 -0.04 -1.98 116.42 118.80 2crp h ASP 63 Ca 0.18 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.52 2crp h ASP 63 Cb 0.07 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 2crp h ASP 63 CO -0.03 0.00 -1.55 0.22 -1.61 0.00 0.00 179.24 176.28 2crp h TYR 64 N 0.00 0.35 -0.16 0.28 5.03 0.43 -3.33 116.97 119.57 2crp h TYR 64 Ca -0.00 -0.25 -0.04 0.00 2.58 0.00 0.00 58.73 61.01 2crp h TYR 64 Cb 0.15 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 2crp h TYR 64 CO 0.00 1.32 -0.09 0.87 -1.32 0.00 0.00 178.16 178.94 2crp h LYS 65 N 0.05 0.25 -0.92 1.82 1.57 -0.57 -1.56 116.57 117.22 2crp h LYS 65 Ca -0.24 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2crp h LYS 65 Cb 2.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.27 2crp h LYS 65 CO 0.14 0.36 0.00 0.36 -0.57 0.00 0.00 179.45 179.74 2crp n LYS 66 N -4.30 1.70 -3.25 3.15 2.85 -1.11 -4.79 118.16 112.41 2crp n LYS 66 Ca -0.01 -0.57 -0.41 0.00 -1.05 0.00 0.00 58.31 56.27 2crp n LYS 66 Cb 0.24 -1.63 -0.08 0.00 -0.65 0.00 0.00 35.03 32.91 2crp n LYS 66 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2crp s ILE 67 N -1.32 5.02 -0.16 0.58 1.01 -0.59 -4.91 121.20 120.83 2crp s ILE 67 Ca 0.10 0.29 0.21 0.00 0.00 0.00 0.00 60.65 61.25 2crp s ILE 67 Cb 0.07 -3.96 -0.13 0.00 0.01 0.00 0.00 42.46 38.45 2crp s ILE 67 CO 0.03 -0.23 0.80 2.29 0.00 0.00 0.00 174.94 177.84 2crp n LYS 68 N 5.73 0.63 -1.77 2.79 0.00 -1.26 -4.76 118.16 119.51 2crp n LYS 68 Ca -0.05 0.05 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 2crp n LYS 68 Cb 0.49 -1.73 -0.02 0.00 -0.00 0.00 0.00 35.03 33.77 2crp n LYS 68 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2crp s SER 69 N -5.22 6.39 0.24 -5.58 0.01 -1.26 -4.91 113.70 103.36 2crp s SER 69 Ca -0.03 2.91 0.01 0.00 1.31 0.00 0.00 55.95 60.15 2crp s SER 69 Cb 0.10 -2.62 0.28 0.00 0.21 0.00 0.00 66.02 63.99 2crp s SER 69 CO 0.83 -0.93 1.61 1.55 0.41 0.00 0.00 173.24 176.71 2crp h PRO 70 N 5.52 0.43 0.16 12.44 0.13 -2.00 -1.34 132.00 147.35 2crp h PRO 70 Ca -0.46 -0.23 -0.31 0.00 -0.87 0.00 0.00 66.00 64.14 2crp h PRO 70 Cb 1.21 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.36 2crp h PRO 70 CO 0.85 0.79 -1.48 0.00 -0.23 0.00 0.00 178.00 177.93 2crp h ALA 71 N 1.18 0.13 -0.09 -0.56 0.00 -2.00 -3.33 119.26 114.59 2crp h ALA 71 Ca 0.03 -1.01 -0.02 0.00 0.00 0.00 0.00 54.91 53.90 2crp h ALA 71 Cb 0.91 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2crp h ALA 71 CO 0.08 0.99 -0.03 -0.22 0.00 0.00 0.00 179.25 180.07 2crp h LYS 72 N 0.09 0.18 -1.06 0.00 1.63 -1.95 0.46 116.57 115.92 2crp h LYS 72 Ca -0.23 -0.07 0.29 0.00 -0.85 0.00 0.00 60.65 59.78 2crp h LYS 72 Cb 2.05 -0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 33.56 2crp h LYS 72 CO 0.20 0.52 0.66 0.52 -3.45 0.00 0.00 179.45 177.90 2crp h MET 73 N -0.17 0.38 0.00 1.90 2.86 -1.39 0.53 114.93 119.05 2crp h MET 73 Ca 0.02 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2crp h MET 73 Cb 0.46 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2crp h MET 73 CO 0.01 0.25 -0.63 0.00 1.06 0.00 0.00 176.91 177.61 2crp h ALA 74 N 1.67 0.05 0.09 6.32 0.00 -1.63 -3.30 119.26 122.46 2crp h ALA 74 Ca 0.65 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2crp h ALA 74 Cb 1.59 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 19.87 2crp h ALA 74 CO -0.39 0.53 -0.51 0.93 0.00 0.00 0.00 179.25 179.80 2crp h GLU 75 N -1.00 -0.70 -0.85 0.00 4.39 0.17 -1.60 114.58 114.99 2crp h GLU 75 Ca -0.06 0.05 0.20 0.00 0.34 0.00 0.00 59.36 59.89 2crp h GLU 75 Cb 0.64 0.16 -0.12 0.00 -0.10 0.00 0.00 28.75 29.32 2crp h GLU 75 CO -0.04 -0.46 0.31 -0.22 -1.16 0.00 0.00 179.01 177.43 2crp h LYS 76 N -0.72 0.33 -0.52 2.33 1.63 -0.10 -0.43 116.57 119.08 2crp h LYS 76 Ca 0.00 -0.02 0.10 0.00 -0.85 0.00 0.00 60.65 59.89 2crp h LYS 76 Cb 0.74 -0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 32.20 2crp h LYS 76 CO -0.30 0.22 -0.22 0.00 -3.45 0.00 0.00 179.45 175.70 2crp h ALA 77 N 1.69 0.16 -0.98 5.00 0.00 -1.37 0.49 119.26 124.25 2crp h ALA 77 Ca 0.52 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.62 2crp h ALA 77 Cb 0.96 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 2crp h ALA 77 CO -0.54 -0.55 0.65 1.57 0.00 0.00 0.00 179.25 180.38 2crp h LYS 78 N -0.10 1.29 0.14 0.00 2.10 -0.85 -2.84 116.57 116.32 2crp h LYS 78 Ca 0.24 -0.08 0.02 0.00 -2.00 0.00 0.00 60.65 58.83 2crp h LYS 78 Cb 0.48 -0.29 -0.04 0.00 -0.90 0.00 0.00 32.23 31.47 2crp h LYS 78 CO -0.58 0.86 -0.42 1.96 -2.00 0.00 0.00 179.45 179.26 2crp h GLN 79 N 1.33 -0.65 -0.34 0.07 4.20 -0.51 0.33 115.11 119.55 2crp h GLN 79 Ca 0.36 0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.21 2crp h GLN 79 Cb -0.15 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2crp h GLN 79 CO -0.08 -0.43 0.32 0.82 -0.67 0.00 0.00 178.83 178.79 2crp h ILE 80 N -0.67 0.52 0.09 2.54 2.04 -1.22 -1.27 117.51 119.53 2crp h ILE 80 Ca 0.02 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.74 2crp h ILE 80 Cb 0.69 0.75 0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2crp h ILE 80 CO -0.23 0.00 -0.60 0.22 0.00 0.00 0.00 178.15 177.54 2crp h TYR 81 N 0.00 0.43 0.00 1.37 5.03 -0.80 -0.57 116.97 122.43 2crp h TYR 81 Ca 0.16 -0.30 0.00 0.00 2.58 0.00 0.00 58.73 61.17 2crp h TYR 81 Cb 0.81 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.06 2crp h TYR 81 CO 0.00 1.21 0.00 0.39 -1.32 0.00 0.00 178.16 178.44 2crp n GLU 82 N -4.25 0.04 -0.09 1.82 1.02 0.99 0.21 120.64 120.39 2crp n GLU 82 Ca -0.12 0.30 -0.19 0.00 -0.02 0.00 0.00 57.16 57.13 2crp n GLU 82 Cb 0.72 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.58 2crp n GLU 82 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2crp n GLU 83 N -1.43 0.42 -0.11 3.49 2.13 -0.75 -4.56 120.64 119.83 2crp n GLU 83 Ca 0.03 0.18 -0.20 0.00 0.66 0.00 0.00 57.16 57.83 2crp n GLU 83 Cb 0.10 -1.21 -0.07 0.00 0.27 0.00 0.00 31.44 30.53 2crp n GLU 83 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2crp n PHE 84 N -3.97 0.00 0.98 4.31 3.72 -0.23 -3.58 117.46 118.69 2crp n PHE 84 Ca -0.34 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 2crp n PHE 84 Cb 0.70 -0.76 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 2crp n PHE 84 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2crp n ILE 85 N -4.29 0.79 -4.09 4.37 2.08 0.50 -4.05 119.36 114.67 2crp n ILE 85 Ca -0.36 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 62.65 2crp n ILE 85 Cb 0.72 -0.89 -0.07 0.00 -0.75 0.00 0.00 39.64 38.64 2crp n ILE 85 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2crp s GLN 86 N -0.18 2.75 0.11 0.38 0.74 0.57 -4.62 119.66 119.41 2crp s GLN 86 Ca 0.00 -0.80 -0.31 0.00 0.05 0.00 0.00 55.36 54.30 2crp s GLN 86 Cb 0.00 -2.63 -0.09 0.00 1.10 0.00 0.00 33.01 31.39 2crp s GLN 86 CO 0.00 0.54 1.71 0.99 -0.55 0.00 0.00 175.29 177.98 2crp s THR 87 N -1.45 2.76 -1.22 -0.34 2.01 -1.26 -1.91 115.64 114.23 2crp s THR 87 Ca 0.28 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.59 2crp s THR 87 Cb -0.11 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.20 2crp s THR 87 CO 0.21 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.52 2crp n GLU 88 N 5.35 -1.97 -0.82 4.92 1.02 -1.26 -4.90 120.64 122.97 2crp n GLU 88 Ca 0.16 0.69 -0.33 0.00 -0.02 0.00 0.00 57.16 57.66 2crp n GLU 88 Cb 0.39 -5.23 0.12 0.00 -0.02 0.00 0.00 31.44 26.71 2crp n GLU 88 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crp n ALA 89 N -1.64 -2.14 0.18 0.62 0.00 -0.80 -4.90 120.51 111.83 2crp n ALA 89 Ca -0.16 -0.56 0.03 0.00 0.00 0.00 0.00 53.44 52.75 2crp n ALA 89 Cb 0.59 -1.88 0.32 0.00 0.00 0.00 0.00 19.45 18.48 2crp n ALA 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2crp h PRO 90 N -1.50 0.00 0.00 0.00 0.13 -1.91 -3.17 132.00 125.55 2crp h PRO 90 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2crp h PRO 90 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2crp h PRO 90 CO 0.36 0.43 -0.07 1.63 -0.23 0.00 0.00 178.00 180.12 2crp n LYS 91 N -3.86 1.38 -1.50 0.86 5.02 -1.23 -5.03 118.16 113.79 2crp n LYS 91 Ca -0.01 -2.06 -0.35 0.00 -2.02 0.00 0.00 58.31 53.87 2crp n LYS 91 Cb 0.48 -1.22 -0.17 0.00 -0.02 0.00 0.00 35.03 34.10 2crp n LYS 91 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2crp n GLU 92 N -1.00 0.06 -0.38 1.97 2.13 -1.20 -4.71 120.64 117.51 2crp n GLU 92 Ca 0.10 -0.02 -0.25 0.00 0.66 0.00 0.00 57.16 57.66 2crp n GLU 92 Cb 0.57 -1.48 0.23 0.00 0.27 0.00 0.00 31.44 31.02 2crp n GLU 92 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2crp n VAL 93 N 6.95 0.00 -3.10 6.31 0.24 -1.26 -4.90 118.33 122.58 2crp n VAL 93 Ca 0.65 -0.05 -0.45 0.00 -2.04 0.00 0.00 64.34 62.45 2crp n VAL 93 Cb 0.09 -0.76 -0.04 0.00 -1.47 0.00 0.00 33.84 31.66 2crp n VAL 93 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2crp s ASN 94 N -2.53 6.24 -0.18 -1.34 2.47 -1.26 -4.98 114.94 113.36 2crp s ASN 94 Ca 0.53 -1.52 -0.04 0.00 0.42 0.00 0.00 52.86 52.25 2crp s ASN 94 Cb -0.10 -2.31 0.09 0.00 -1.45 0.00 0.00 41.25 37.48 2crp s ASN 94 CO 0.47 -1.10 0.25 0.27 -3.72 0.00 0.00 177.10 173.27 2crp s ILE 95 N 2.62 -0.39 0.76 -5.21 -4.36 -1.26 -4.77 121.20 108.59 2crp s ILE 95 Ca 0.14 0.02 -0.15 0.00 -0.26 0.00 0.00 60.65 60.39 2crp s ILE 95 Cb -0.22 -0.62 -0.01 0.00 1.25 0.00 0.00 42.46 42.86 2crp s ILE 95 CO 0.05 -0.09 0.65 -0.67 0.24 0.00 0.00 174.94 175.11 2crp n ASP 96 N 5.34 -0.83 -0.42 4.36 2.03 -1.26 -4.35 116.55 121.41 2crp n ASP 96 Ca -0.05 0.57 0.35 0.00 0.52 0.00 0.00 54.79 56.17 2crp n ASP 96 Cb 0.50 -1.27 0.64 0.00 -0.72 0.00 0.00 41.12 40.27 2crp n ASP 96 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2crp h HIS 97 N -0.55 0.44 0.00 -0.67 3.86 -2.01 -0.42 115.15 115.80 2crp h HIS 97 Ca -0.46 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 2crp h HIS 97 Cb 1.33 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.69 2crp h HIS 97 CO 0.37 -0.09 0.00 0.34 0.86 0.00 0.00 177.93 179.41 2crp n PHE 98 N -4.54 0.00 -0.18 2.45 7.35 -1.26 -0.23 117.46 121.04 2crp n PHE 98 Ca 0.33 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.95 2crp n PHE 98 Cb 1.32 -0.49 0.02 0.00 0.35 0.00 0.00 39.48 40.68 2crp n PHE 98 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2crp h THR 99 N 0.00 1.21 -0.57 -2.13 2.02 -1.67 -2.84 112.91 108.93 2crp h THR 99 Ca 0.00 -0.62 0.11 0.00 0.77 0.00 0.00 66.41 66.68 2crp h THR 99 Cb 0.00 0.65 -0.10 0.00 -1.74 0.00 0.00 68.15 66.95 2crp h THR 99 CO 0.00 0.24 -0.11 0.50 0.37 0.00 0.00 175.52 176.52 2crp h LYS 100 N 0.70 0.03 -0.51 6.66 3.11 -0.99 -0.55 116.57 125.02 2crp h LYS 100 Ca 0.18 -0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.03 2crp h LYS 100 Cb 0.16 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.35 2crp h LYS 100 CO -0.02 0.02 0.32 -0.44 -2.81 0.00 0.00 179.45 176.51 2crp h ASP 101 N 0.03 0.52 -0.34 4.20 3.32 -0.44 -3.12 116.42 120.60 2crp h ASP 101 Ca 0.28 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.36 2crp h ASP 101 Cb 0.43 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 2crp h ASP 101 CO -0.56 0.37 -0.31 0.40 -1.72 0.00 0.00 179.24 177.43 2crp h ILE 102 N 0.63 0.00 -0.87 0.35 1.08 -0.87 -0.76 117.51 117.08 2crp h ILE 102 Ca 0.20 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.83 2crp h ILE 102 Cb -0.02 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.58 2crp h ILE 102 CO -0.07 0.00 -0.29 0.74 -0.69 0.00 0.00 178.15 177.84 2crp h THR 103 N -0.13 0.09 -0.39 -0.27 2.02 -1.45 0.91 112.91 113.69 2crp h THR 103 Ca 0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.31 2crp h THR 103 Cb 0.28 0.09 -0.09 0.00 -1.74 0.00 0.00 68.15 66.69 2crp h THR 103 CO -0.39 0.00 -0.37 0.24 0.37 0.00 0.00 175.52 175.37 2crp h MET 104 N -0.03 -0.28 0.00 6.66 2.86 -1.14 0.53 114.93 123.54 2crp h MET 104 Ca 0.37 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2crp h MET 104 Cb 0.62 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 2crp h MET 104 CO -0.90 -0.19 -0.02 0.87 1.06 0.00 0.00 176.91 177.74 2crp h LYS 105 N -0.29 0.00 -0.30 1.72 1.57 -0.22 0.72 116.57 119.78 2crp h LYS 105 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2crp h LYS 105 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2crp h LYS 105 CO -0.55 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 178.44 2crp n ASN 106 N -3.31 2.05 -0.43 0.86 3.02 0.18 -3.72 115.26 113.90 2crp n ASN 106 Ca -0.02 -1.87 0.13 0.00 -0.03 0.00 0.00 54.58 52.79 2crp n ASN 106 Cb 0.12 -0.19 0.36 0.00 -0.61 0.00 0.00 39.78 39.46 2crp n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2crp n LEU 107 N 0.59 1.51 -0.01 3.41 4.77 0.25 -3.28 117.00 124.24 2crp n LEU 107 Ca 0.15 -0.48 -0.03 0.00 -0.03 0.00 0.00 56.01 55.62 2crp n LEU 107 Cb 0.36 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2crp n LEU 107 CO 0.11 0.27 0.08 0.58 -1.33 0.00 0.00 177.39 177.10 2crp h VAL 108 N 2.12 0.14 -1.50 4.08 2.07 -1.72 -3.40 116.25 118.05 2crp h VAL 108 Ca 0.00 -1.02 -0.58 0.00 0.82 0.00 0.00 66.70 65.92 2crp h VAL 108 Cb 0.58 0.26 -0.42 0.00 -1.52 0.00 0.00 31.29 30.20 2crp h VAL 108 CO 0.00 0.05 -0.76 -0.62 0.02 0.00 0.00 177.57 176.26 2crp n GLU 109 N -4.84 3.29 -2.22 1.57 -0.58 -1.26 -5.07 120.64 111.54 2crp n GLU 109 Ca -0.02 -4.44 -0.42 0.00 -0.42 0.00 0.00 57.16 51.86 2crp n GLU 109 Cb 0.08 -2.19 -0.03 0.00 -0.57 0.00 0.00 31.44 28.73 2crp n GLU 109 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2crp s PRO 110 N -3.51 4.37 0.01 3.49 0.04 -1.21 -4.92 135.00 133.27 2crp s PRO 110 Ca 0.47 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2crp s PRO 110 Cb 0.40 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.73 2crp s PRO 110 CO -0.18 -0.30 0.00 0.43 0.04 0.00 0.00 177.00 177.00 2crp n SER 111 N 3.04 0.05 0.00 6.66 7.64 -1.26 -4.58 113.62 125.17 2crp n SER 111 Ca 0.08 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2crp n SER 111 Cb 0.43 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2crp n SER 111 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2crp n LEU 112 N -2.58 0.53 -1.15 -3.43 4.77 -1.26 -4.79 117.00 109.08 2crp n LEU 112 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2crp n LEU 112 Cb 0.00 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.24 2crp n LEU 112 CO 0.00 -0.07 0.56 -1.54 -1.33 0.00 0.00 177.39 175.01 2crp n SER 113 N -2.25 3.02 -0.37 -1.43 3.41 -1.26 -4.30 113.62 110.44 2crp n SER 113 Ca 0.00 -2.43 0.03 0.00 -0.26 0.00 0.00 58.87 56.21 2crp n SER 113 Cb 0.17 -0.59 0.17 0.00 -0.26 0.00 0.00 64.21 63.71 2crp n SER 113 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2crp h SER 114 N 1.45 1.02 -1.13 4.04 4.64 -1.87 -2.43 113.55 119.27 2crp h SER 114 Ca 0.04 0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.75 2crp h SER 114 Cb 1.22 -0.21 -0.37 0.00 -0.31 0.00 0.00 62.40 62.74 2crp h SER 114 CO 0.25 0.65 -0.10 0.49 -0.87 0.00 0.00 176.83 177.25 2crp n PHE 115 N -4.52 3.04 -0.03 4.77 3.72 -1.26 -4.73 117.46 118.46 2crp n PHE 115 Ca 0.15 -2.63 -0.13 0.00 -0.05 0.00 0.00 57.45 54.79 2crp n PHE 115 Cb 0.19 -0.70 -0.10 0.00 -0.94 0.00 0.00 39.48 37.92 2crp n PHE 115 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2crp h ASP 116 N 2.31 0.07 0.37 4.37 1.82 -1.73 -1.84 116.42 121.80 2crp h ASP 116 Ca 0.45 -0.61 -0.02 0.00 -0.39 0.00 0.00 57.03 56.45 2crp h ASP 116 Cb 1.03 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.02 2crp h ASP 116 CO 1.09 0.68 -0.18 -0.03 -1.61 0.00 0.00 179.24 179.19 2crp h MET 117 N -0.52 -0.48 -0.60 0.28 4.05 -1.85 -2.30 114.93 113.51 2crp h MET 117 Ca -0.00 0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.56 2crp h MET 117 Cb 0.67 0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 31.50 2crp h MET 117 CO 0.01 -0.17 0.15 0.00 0.23 0.00 0.00 176.91 177.13 2crp h ALA 118 N -0.61 0.72 0.44 0.39 0.00 -1.87 0.64 119.26 118.97 2crp h ALA 118 Ca -0.05 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2crp h ALA 118 Cb 0.53 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2crp h ALA 118 CO 0.08 -0.28 -0.35 0.37 0.00 0.00 0.00 179.25 179.08 2crp h GLN 119 N 0.29 -0.75 0.00 0.00 4.15 -1.38 -0.60 115.11 116.82 2crp h GLN 119 Ca 0.31 0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.74 2crp h GLN 119 Cb 0.45 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 2crp h GLN 119 CO -0.38 -0.50 -0.18 1.57 -1.93 0.00 0.00 178.83 177.41 2crp h LYS 120 N -0.78 0.00 0.11 1.69 2.10 -0.94 0.08 116.57 118.83 2crp h LYS 120 Ca -0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 2crp h LYS 120 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2crp h LYS 120 CO -0.00 0.18 -0.06 -0.09 -2.00 0.00 0.00 179.45 177.48 2crp h ARG 121 N 0.00 -0.15 -0.21 0.07 1.12 0.86 -1.76 114.38 114.31 2crp h ARG 121 Ca -0.00 0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 58.75 2crp h ARG 121 Cb 0.32 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.32 2crp h ARG 121 CO 0.02 0.09 -0.36 0.82 -3.11 0.00 0.00 179.97 177.43 2crp h ILE 122 N -0.37 1.32 -0.85 1.20 1.08 -0.93 -3.03 117.51 115.93 2crp h ILE 122 Ca -0.02 -1.57 0.12 0.00 -0.39 0.00 0.00 64.86 63.00 2crp h ILE 122 Cb 0.31 1.81 -0.06 0.00 -3.07 0.00 0.00 36.82 35.80 2crp h ILE 122 CO 0.03 0.49 0.55 -0.74 -0.69 0.00 0.00 178.15 177.79 2crp h HIS 123 N 0.31 0.79 0.00 1.37 2.76 -1.00 0.21 115.15 119.59 2crp h HIS 123 Ca 0.02 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 2crp h HIS 123 Cb 0.95 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 2crp h HIS 123 CO 0.09 0.33 -0.23 0.00 -1.30 0.00 0.00 177.93 176.81 2crp h ALA 124 N 1.60 1.00 0.25 5.26 0.00 -1.25 -2.68 119.26 123.43 2crp h ALA 124 Ca 0.41 -0.21 -0.33 0.00 0.00 0.00 0.00 54.91 54.78 2crp h ALA 124 Cb 0.61 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.40 2crp h ALA 124 CO -0.18 0.29 -1.44 1.25 0.00 0.00 0.00 179.25 179.18 2crp h LEU 125 N 0.00 0.82 -0.08 0.00 5.85 -0.53 -2.53 115.31 118.84 2crp h LEU 125 Ca -0.00 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.79 2crp h LEU 125 Cb 0.79 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2crp h LEU 125 CO 0.03 1.69 0.00 0.23 -0.34 0.00 0.00 178.44 180.05 2crp n MET 126 N -3.75 0.04 -0.03 1.25 0.00 -0.40 0.42 117.12 114.65 2crp n MET 126 Ca -0.17 0.18 0.07 0.00 0.00 0.00 0.00 57.70 57.78 2crp n MET 126 Cb 1.08 -1.57 -0.17 0.00 0.00 0.00 0.00 33.22 32.57 2crp n MET 126 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2crp n GLU 127 N -1.65 0.66 0.00 0.03 0.28 -1.01 0.80 120.64 119.75 2crp n GLU 127 Ca 0.05 -0.16 0.05 0.00 -0.16 0.00 0.00 57.16 56.94 2crp n GLU 127 Cb 0.26 -1.52 -0.05 0.00 1.43 0.00 0.00 31.44 31.55 2crp n GLU 127 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2crp n LYS 128 N -2.36 3.22 0.01 3.44 2.85 -0.96 -4.12 118.16 120.25 2crp n LYS 128 Ca -0.09 -0.08 -0.01 0.00 -1.05 0.00 0.00 58.31 57.07 2crp n LYS 128 Cb 0.68 -1.03 -0.00 0.00 -0.65 0.00 0.00 35.03 34.03 2crp n LYS 128 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2crp n ASP 129 N -1.12 0.63 0.13 -5.58 2.03 0.17 -4.69 116.55 108.12 2crp n ASP 129 Ca 0.02 0.09 -0.10 0.00 0.52 0.00 0.00 54.79 55.33 2crp n ASP 129 Cb 0.18 -0.26 -0.06 0.00 -0.72 0.00 0.00 41.12 40.26 2crp n ASP 129 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2crp h SER 130 N -0.10 -0.35 -0.89 1.67 0.02 -1.57 -2.33 113.55 109.99 2crp h SER 130 Ca 0.00 -0.14 0.12 0.00 -0.84 0.00 0.00 61.79 60.93 2crp h SER 130 Cb 0.10 0.09 -0.13 0.00 0.14 0.00 0.00 62.40 62.60 2crp h SER 130 CO 0.00 0.12 -0.40 -0.11 -1.14 0.00 0.00 176.83 175.30 2crp n LEU 131 N -5.06 -0.69 0.27 5.07 7.94 0.24 0.24 117.00 125.01 2crp n LEU 131 Ca -0.07 1.56 0.16 0.00 -1.11 0.00 0.00 56.01 56.54 2crp n LEU 131 Cb 0.24 -0.31 0.66 0.00 0.53 0.00 0.00 43.42 44.54 2crp n LEU 131 CO 0.21 -1.36 0.96 1.55 -1.11 0.00 0.00 177.39 177.64 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.72 -2.53 132.00 129.84 2crp h PRO 132 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 2crp h PRO 132 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2crp h PRO 132 CO -0.87 0.05 -0.93 0.54 -0.23 0.00 0.00 178.00 176.57 2crp n ARG 133 N -3.18 0.18 -0.00 0.86 1.74 0.55 -4.09 116.66 112.72 2crp n ARG 133 Ca 0.00 -0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 2crp n ARG 133 Cb 0.32 -1.56 -0.13 0.00 -1.02 0.00 0.00 32.46 30.07 2crp n ARG 133 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2crp h PHE 134 N 0.00 0.00 -0.20 -1.55 3.57 0.35 -3.28 116.94 115.83 2crp h PHE 134 Ca 0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2crp h PHE 134 Cb 0.65 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2crp h PHE 134 CO 0.00 0.95 -0.33 -0.39 -2.23 0.00 0.00 178.31 176.31 2crp h VAL 135 N 0.00 1.28 0.00 1.41 -1.51 -1.63 -2.81 116.25 112.99 2crp h VAL 135 Ca -0.23 -1.39 -0.13 0.00 -1.23 0.00 0.00 66.70 63.73 2crp h VAL 135 Cb 1.93 1.49 -0.02 0.00 -2.13 0.00 0.00 31.29 32.56 2crp h VAL 135 CO 0.08 0.43 -0.60 0.03 -1.23 0.00 0.00 177.57 176.28 2crp h ARG 136 N 0.35 0.00 -6.76 5.19 3.08 -1.72 -3.38 114.38 111.15 2crp h ARG 136 Ca 0.04 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.58 2crp h ARG 136 Cb 0.75 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.82 2crp h ARG 136 CO 0.06 0.60 0.52 -1.54 -1.07 0.00 0.00 179.97 178.54 2crp s SER 137 N -6.59 7.16 0.21 7.04 1.04 -1.06 -4.85 113.70 116.65 2crp s SER 137 Ca 0.01 2.29 -0.12 0.00 0.48 0.00 0.00 55.95 58.61 2crp s SER 137 Cb 0.10 -2.62 0.27 0.00 0.10 0.00 0.00 66.02 63.87 2crp s SER 137 CO 0.75 -0.26 1.33 -0.62 0.98 0.00 0.00 173.24 175.41 2crp n GLU 138 N 1.64 -0.16 -0.15 4.02 4.71 -1.26 0.28 120.64 129.72 2crp n GLU 138 Ca 0.01 1.32 0.14 0.00 -0.01 0.00 0.00 57.16 58.62 2crp n GLU 138 Cb 0.44 -1.96 0.26 0.00 -1.01 0.00 0.00 31.44 29.17 2crp n GLU 138 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2crp n PHE 139 N -5.30 0.51 -0.05 -0.32 3.01 -1.26 0.21 117.46 114.26 2crp n PHE 139 Ca 0.10 0.54 -0.18 0.00 1.01 0.00 0.00 57.45 58.92 2crp n PHE 139 Cb 0.37 -0.98 -0.13 0.00 -0.01 0.00 0.00 39.48 38.73 2crp n PHE 139 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 2crp h TYR 140 N 0.00 0.13 -1.14 1.38 5.03 -0.28 -3.25 116.97 118.83 2crp h TYR 140 Ca 0.38 -0.09 0.32 0.00 2.58 0.00 0.00 58.73 61.92 2crp h TYR 140 Cb 0.99 -0.01 -0.07 0.00 1.55 0.00 0.00 36.73 39.20 2crp h TYR 140 CO -0.02 1.25 0.79 1.96 -1.32 0.00 0.00 178.16 180.82 2crp h GLN 141 N -0.83 0.12 0.00 1.82 1.08 0.26 1.12 115.11 118.68 2crp h GLN 141 Ca -0.15 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 56.94 2crp h GLN 141 Cb 1.27 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.65 2crp h GLN 141 CO -0.03 0.08 -0.49 1.05 -0.95 0.00 0.00 178.83 178.49 2crp h GLU 142 N 0.13 0.00 -0.03 1.46 4.11 -1.09 0.98 114.58 120.12 2crp h GLU 142 Ca 0.58 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.84 2crp h GLU 142 Cb 2.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 2crp h GLU 142 CO -0.11 0.49 -0.74 -0.07 0.07 0.00 0.00 179.01 178.65 2crp h LEU 143 N 0.00 0.27 0.00 3.06 3.38 0.12 -2.12 115.31 120.03 2crp h LEU 143 Ca -0.00 -0.19 -0.32 0.00 0.09 0.00 0.00 57.88 57.46 2crp h LEU 143 Cb 1.34 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 2crp h LEU 143 CO 0.06 0.92 -2.16 2.30 0.09 0.00 0.00 178.44 179.65 2crp n ILE 144 N -3.77 1.16 -1.48 1.22 -5.35 -0.73 -4.59 119.36 105.83 2crp n ILE 144 Ca -0.03 -0.39 -0.33 0.00 -0.27 0.00 0.00 62.75 61.73 2crp n ILE 144 Cb 0.71 -1.41 0.07 0.00 -1.74 0.00 0.00 39.64 37.27 2crp n ILE 144 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2crp n SER 145 N -3.39 7.19 -1.36 7.28 7.64 0.34 -4.85 113.62 126.47 2crp n SER 145 Ca -0.38 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 55.72 2crp n SER 145 Cb 0.85 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2crp n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crp n GLY 146 N -0.87 -3.35 0.00 0.23 0.00 -0.80 -4.62 105.19 95.79 2crp n GLY 146 Ca 0.59 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.83 2crp n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crp n PRO 147 N 0.00 0.42 -4.34 1.61 -0.04 -1.26 -4.72 135.00 126.67 2crp n PRO 147 Ca 0.00 0.04 -0.25 0.00 -0.04 0.00 0.00 63.50 63.25 2crp n PRO 147 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2crp n PRO 147 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2crp s SER 148 N -2.14 4.13 0.73 3.54 0.15 -1.26 -5.14 113.70 113.70 2crp s SER 148 Ca 0.21 -0.72 -0.06 0.00 0.70 0.00 0.00 55.95 56.09 2crp s SER 148 Cb 0.11 -0.63 0.09 0.00 -1.71 0.00 0.00 66.02 63.88 2crp s SER 148 CO 0.19 0.06 1.02 -0.44 1.20 0.00 0.00 173.24 175.28 2crp s SER 149 N -3.21 4.53 0.00 5.45 0.01 -1.26 -4.72 113.70 114.49 2crp s SER 149 Ca 0.27 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2crp s SER 149 Cb -0.07 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2crp s SER 149 CO 0.16 -1.76 0.00 0.61 0.41 0.00 0.00 173.24 172.66