#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 3.71 0.31 1.61 0.01 -1.26 -5.12 113.70 112.97 2crp s SER 2 Ca 0.00 -0.88 0.08 0.00 1.31 0.00 0.00 55.95 56.46 2crp s SER 2 Cb 0.00 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.65 2crp s SER 2 CO 0.00 -0.07 0.11 -0.55 0.41 0.00 0.00 173.24 173.14 2crp s SER 3 N 1.25 4.72 -0.40 2.44 0.15 -1.26 -5.10 113.70 115.50 2crp s SER 3 Ca 0.00 -0.69 -0.17 0.00 0.70 0.00 0.00 55.95 55.80 2crp s SER 3 Cb -0.16 -0.82 0.01 0.00 -1.71 0.00 0.00 66.02 63.35 2crp s SER 3 CO -0.09 -0.20 0.41 -0.83 1.20 0.00 0.00 173.24 173.73 2crp s GLY 4 N -3.80 1.90 -0.26 9.45 0.00 -1.26 -5.02 107.32 108.33 2crp s GLY 4 Ca 0.36 -1.45 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 2crp s GLY 4 CO 0.22 1.11 0.60 -0.56 0.00 0.00 0.00 173.10 174.47 2crp s SER 5 N 1.78 -0.87 -0.38 1.64 0.01 -1.26 -5.13 113.70 109.50 2crp s SER 5 Ca 0.12 1.39 -0.13 0.00 1.31 0.00 0.00 55.95 58.63 2crp s SER 5 Cb -0.17 1.72 0.01 0.00 0.21 0.00 0.00 66.02 67.79 2crp s SER 5 CO 0.13 -0.23 0.26 -0.44 0.41 0.00 0.00 173.24 173.37 2crp s SER 6 N 2.34 5.99 -0.39 2.44 0.01 -1.26 -4.96 113.70 117.87 2crp s SER 6 Ca -0.07 -0.74 0.11 0.00 1.31 0.00 0.00 55.95 56.56 2crp s SER 6 Cb -0.10 -2.12 0.34 0.00 0.21 0.00 0.00 66.02 64.35 2crp s SER 6 CO -0.18 -0.36 0.79 0.61 0.41 0.00 0.00 173.24 174.52 2crp n GLY 7 N 5.10 3.06 3.77 3.44 0.00 -1.26 -5.12 105.19 114.18 2crp n GLY 7 Ca -0.12 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 2crp n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crp s PRO 8 N -1.92 4.24 0.07 1.61 0.04 -1.26 -5.05 135.00 132.73 2crp s PRO 8 Ca 0.37 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.39 2crp s PRO 8 Cb 0.33 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 2crp s PRO 8 CO -0.08 -0.20 -0.06 -1.21 0.04 0.00 0.00 177.00 175.49 2crp s GLU 9 N -2.00 0.65 -0.29 4.56 0.41 -1.26 -5.16 118.70 115.62 2crp s GLU 9 Ca 0.52 -1.04 -0.16 0.00 -0.41 0.00 0.00 54.97 53.88 2crp s GLU 9 Cb -0.34 -0.18 0.12 0.00 -1.78 0.00 0.00 34.13 31.95 2crp s GLU 9 CO 0.44 -0.00 0.87 -1.59 -0.49 0.00 0.00 175.26 174.48 2crp s LYS 10 N -2.77 0.50 0.00 1.61 0.00 -1.26 -5.18 119.74 112.64 2crp s LYS 10 Ca 0.01 0.88 0.00 0.00 0.00 0.00 0.00 55.97 56.86 2crp s LYS 10 Cb -0.02 0.11 0.00 0.00 0.00 0.00 0.00 37.83 37.93 2crp s LYS 10 CO -0.03 -0.11 0.00 -0.35 0.00 0.00 0.00 175.35 174.86 2crp n PRO 11 N 3.97 -0.89 -3.71 1.78 -0.04 -1.26 -5.10 135.00 129.75 2crp n PRO 11 Ca -0.19 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.15 2crp n PRO 11 Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.94 2crp n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2crp s ALA 12 N -2.97 -1.11 -0.22 0.55 0.00 -1.26 -5.16 121.76 111.58 2crp s ALA 12 Ca 0.00 1.37 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 2crp s ALA 12 Cb 0.00 -0.81 0.13 0.00 0.00 0.00 0.00 23.12 22.44 2crp s ALA 12 CO 0.00 -0.23 1.06 0.21 0.00 0.00 0.00 175.76 176.80 2crp s LYS 13 N 0.61 0.49 0.41 0.00 2.47 -1.26 -5.19 119.74 117.28 2crp s LYS 13 Ca -0.03 0.29 0.06 0.00 -1.56 0.00 0.00 55.97 54.73 2crp s LYS 13 Cb -0.05 0.24 -0.07 0.00 -1.46 0.00 0.00 37.83 36.49 2crp s LYS 13 CO -0.04 -0.12 0.02 -0.08 0.16 0.00 0.00 175.35 175.29 2crp s THR 14 N -0.57 1.79 0.21 3.43 -1.32 -1.26 -5.16 115.64 112.77 2crp s THR 14 Ca 0.01 -2.00 -0.22 0.00 -1.21 0.00 0.00 61.69 58.27 2crp s THR 14 Cb -0.02 -2.89 0.07 0.00 -1.51 0.00 0.00 72.50 68.15 2crp s THR 14 CO -0.03 0.00 0.97 -1.58 -2.21 0.00 0.00 174.62 171.77 2crp s GLN 15 N -3.75 1.44 0.44 7.08 0.74 -1.26 -5.19 119.66 119.16 2crp s GLN 15 Ca 0.32 -0.89 0.01 0.00 0.05 0.00 0.00 55.36 54.85 2crp s GLN 15 Cb 0.09 0.42 0.01 0.00 1.10 0.00 0.00 33.01 34.63 2crp s GLN 15 CO 0.16 -0.67 0.08 1.63 -0.55 0.00 0.00 175.29 175.95 2crp n LYS 16 N -0.60 0.92 -4.41 1.67 5.02 -1.26 -4.84 118.16 114.66 2crp n LYS 16 Ca -0.05 -3.08 -0.29 0.00 -2.02 0.00 0.00 58.31 52.87 2crp n LYS 16 Cb 0.60 0.71 -0.12 0.00 -0.02 0.00 0.00 35.03 36.19 2crp n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2crp s THR 17 N -2.49 2.56 0.27 -0.18 2.01 -1.26 -5.02 115.64 111.53 2crp s THR 17 Ca 0.06 -1.57 0.08 0.00 0.31 0.00 0.00 61.69 60.57 2crp s THR 17 Cb -0.01 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 2crp s THR 17 CO 0.04 0.13 0.16 -0.55 -0.69 0.00 0.00 174.62 173.71 2crp s SER 18 N -1.99 5.18 0.07 3.53 0.15 -1.26 -4.95 113.70 114.43 2crp s SER 18 Ca 0.16 -0.42 -0.25 0.00 0.70 0.00 0.00 55.95 56.13 2crp s SER 18 Cb -0.10 -1.15 -0.11 0.00 -1.71 0.00 0.00 66.02 62.95 2crp s SER 18 CO 0.08 -0.09 1.40 0.25 1.20 0.00 0.00 173.24 176.07 2crp h LEU 19 N 1.56 -1.15 -1.76 3.45 7.12 -1.94 0.22 115.31 122.81 2crp h LEU 19 Ca -0.47 0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.67 2crp h LEU 19 Cb 1.24 0.42 0.00 0.00 -0.53 0.00 0.00 40.66 41.80 2crp h LEU 19 CO 0.60 -0.40 0.38 -0.78 -0.13 0.00 0.00 178.44 178.12 2crp h ASP 20 N -0.54 0.00 0.00 1.25 1.82 -1.99 -1.84 116.42 115.12 2crp h ASP 20 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 2crp h ASP 20 Cb 0.54 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.55 2crp h ASP 20 CO -0.21 0.00 -0.15 -0.08 -1.61 0.00 0.00 179.24 177.19 2crp h GLU 21 N 0.00 0.00 -1.58 0.28 4.57 -1.10 -3.25 114.58 113.49 2crp h GLU 21 Ca 0.00 0.00 0.51 0.00 -1.18 0.00 0.00 59.36 58.69 2crp h GLU 21 Cb 0.77 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.24 2crp h GLU 21 CO 0.00 0.20 1.07 0.00 -1.18 0.00 0.00 179.01 179.10 2crp n ALA 22 N -2.94 1.54 -0.00 2.92 0.00 0.37 0.23 120.51 122.63 2crp n ALA 22 Ca -0.04 0.78 -0.15 0.00 0.00 0.00 0.00 53.44 54.03 2crp n ALA 22 Cb 0.15 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 2crp n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2crp h LEU 23 N 0.00 0.82 -2.34 0.00 3.38 -1.65 -3.02 115.31 112.51 2crp h LEU 23 Ca 0.89 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2crp h LEU 23 Cb 3.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 43.65 2crp h LEU 23 CO -0.30 1.32 0.18 1.56 0.09 0.00 0.00 178.44 181.29 2crp h GLN 24 N 0.47 0.00 0.00 1.13 4.20 0.29 0.26 115.11 121.46 2crp h GLN 24 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2crp h GLN 24 Cb 1.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.16 2crp h GLN 24 CO 0.15 0.00 0.00 -1.49 -0.67 0.00 0.00 178.83 176.82 2crp h TRP 25 N 0.00 0.00 0.02 2.96 6.55 -1.38 -3.03 115.95 121.08 2crp h TRP 25 Ca 0.00 0.00 -0.26 0.00 0.95 0.00 0.00 58.89 59.58 2crp h TRP 25 Cb 0.36 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 28.68 2crp h TRP 25 CO 0.00 0.00 -1.02 0.00 -1.05 0.00 0.00 178.44 176.37 2crp h ARG 26 N 0.00 0.66 0.03 0.49 3.08 -0.66 -3.35 114.38 114.63 2crp h ARG 26 Ca 0.00 -0.73 0.02 0.00 0.07 0.00 0.00 59.98 59.33 2crp h ARG 26 Cb 0.55 0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 2crp h ARG 26 CO 0.00 1.31 -0.52 -0.44 -1.07 0.00 0.00 179.97 179.25 2crp h ASP 27 N 0.31 -1.61 -3.45 7.04 5.19 -1.62 -3.42 116.42 118.87 2crp h ASP 27 Ca -0.13 0.18 -0.42 0.00 -0.62 0.00 0.00 57.03 56.04 2crp h ASP 27 Cb 1.69 0.61 -0.34 0.00 0.18 0.00 0.00 39.33 41.46 2crp h ASP 27 CO 0.20 -0.52 -0.77 -0.55 -3.12 0.00 0.00 179.24 174.47 2crp s SER 28 N -4.67 1.02 0.31 6.45 0.15 -1.25 -5.03 113.70 110.70 2crp s SER 28 Ca -0.16 -0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.44 2crp s SER 28 Cb 0.06 -0.47 0.85 0.00 -1.71 0.00 0.00 66.02 64.75 2crp s SER 28 CO 0.59 -0.05 1.73 0.25 1.20 0.00 0.00 173.24 176.96 2crp h LEU 29 N 7.22 0.65 -0.38 3.45 5.85 -1.82 -1.49 115.31 128.79 2crp h LEU 29 Ca -0.37 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2crp h LEU 29 Cb 1.15 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.13 2crp h LEU 29 CO 0.46 0.11 -0.45 -0.78 -0.34 0.00 0.00 178.44 177.44 2crp h ASP 30 N 0.58 -1.50 -1.30 1.25 3.58 -1.94 0.21 116.42 117.30 2crp h ASP 30 Ca 0.63 0.22 0.44 0.00 0.42 0.00 0.00 57.03 58.73 2crp h ASP 30 Cb 1.16 0.64 -0.13 0.00 1.72 0.00 0.00 39.33 42.72 2crp h ASP 30 CO -0.47 -0.38 0.83 0.11 -2.88 0.00 0.00 179.24 176.45 2crp h LYS 31 N -0.36 0.07 0.36 0.28 1.57 -1.58 0.25 116.57 117.16 2crp h LYS 31 Ca 0.12 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2crp h LYS 31 Cb 0.59 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2crp h LYS 31 CO -0.56 0.05 -0.17 1.25 -0.57 0.00 0.00 179.45 179.45 2crp h LEU 32 N 0.08 -0.41 -0.55 2.94 5.85 -0.67 -2.96 115.31 119.59 2crp h LEU 32 Ca 0.83 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.67 2crp h LEU 32 Cb 2.57 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 43.61 2crp h LEU 32 CO -0.45 -0.07 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.48 2crp h LEU 33 N -0.92 -0.30 -0.64 2.25 3.38 -0.47 -0.95 115.31 117.66 2crp h LEU 33 Ca -0.05 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.20 2crp h LEU 33 Cb 0.37 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 2crp h LEU 33 CO 0.08 -0.11 0.04 1.56 0.09 0.00 0.00 178.44 180.10 2crp h GLN 34 N 0.09 0.15 -6.62 1.13 1.08 -0.69 -3.39 115.11 106.85 2crp h GLN 34 Ca 0.28 -0.01 -0.52 0.00 -1.45 0.00 0.00 58.65 56.95 2crp h GLN 34 Cb 0.44 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2crp h GLN 34 CO -0.49 0.10 0.56 -0.80 -0.95 0.00 0.00 178.83 177.25 2crp s ASN 35 N -5.24 7.09 0.07 1.46 -0.87 -0.38 -4.95 114.94 112.12 2crp s ASN 35 Ca -0.13 2.17 -0.35 0.00 -1.57 0.00 0.00 52.86 52.98 2crp s ASN 35 Cb 0.19 -2.60 -0.20 0.00 -0.02 0.00 0.00 41.25 38.63 2crp s ASN 35 CO 0.74 -0.39 1.60 -1.13 -2.57 0.00 0.00 177.10 175.35 2crp h ASN 36 N 5.64 -0.95 -0.39 -1.22 -1.24 -1.80 0.13 115.58 115.76 2crp h ASN 36 Ca -0.44 0.04 0.08 0.00 0.71 0.00 0.00 56.30 56.69 2crp h ASN 36 Cb 1.21 0.25 -0.09 0.00 0.73 0.00 0.00 38.32 40.43 2crp h ASN 36 CO 0.76 -0.67 -0.23 0.22 -1.29 0.00 0.00 177.43 176.22 2crp h TYR 37 N -1.10 -0.61 -0.25 0.67 3.20 -1.90 0.12 116.97 117.11 2crp h TYR 37 Ca -0.11 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2crp h TYR 37 Cb 0.85 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2crp h TYR 37 CO -0.02 -0.31 0.16 0.78 -1.64 0.00 0.00 178.16 177.13 2crp h GLY 38 N -0.17 0.35 0.42 1.82 0.00 -1.74 -2.51 103.07 101.25 2crp h GLY 38 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2crp h GLY 38 CO -0.49 0.13 -0.25 -2.00 0.00 0.00 0.00 176.54 173.93 2crp h LEU 39 N 0.33 -0.62 -0.97 3.11 5.85 0.05 0.16 115.31 123.22 2crp h LEU 39 Ca 0.09 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.01 2crp h LEU 39 Cb -0.03 0.18 -0.17 0.00 0.37 0.00 0.00 40.66 41.01 2crp h LEU 39 CO -0.02 -0.39 -0.32 0.00 -0.34 0.00 0.00 178.44 177.37 2crp n ALA 40 N -2.41 0.02 0.17 1.25 0.00 0.36 -0.52 120.51 119.39 2crp n ALA 40 Ca -0.08 1.01 -0.14 0.00 0.00 0.00 0.00 53.44 54.23 2crp n ALA 40 Cb 0.26 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 2crp n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2crp h SER 41 N 0.00 -0.32 -0.85 0.00 0.87 -1.34 -2.89 113.55 109.02 2crp h SER 41 Ca 0.39 -0.06 0.22 0.00 -1.23 0.00 0.00 61.79 61.10 2crp h SER 41 Cb 0.63 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 62.54 2crp h SER 41 CO -0.98 -0.14 0.23 0.15 -0.53 0.00 0.00 176.83 175.56 2crp h PHE 42 N -0.49 0.35 0.52 2.24 3.57 0.19 -1.51 116.94 121.82 2crp h PHE 42 Ca -0.04 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2crp h PHE 42 Cb 0.36 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2crp h PHE 42 CO -0.03 -0.17 -0.45 0.87 -2.23 0.00 0.00 178.31 176.30 2crp h LYS 43 N 0.24 -0.92 -0.86 1.11 1.57 -0.79 -2.58 116.57 114.34 2crp h LYS 43 Ca 0.52 0.06 0.22 0.00 -1.87 0.00 0.00 60.65 59.58 2crp h LYS 43 Cb 1.01 0.21 -0.15 0.00 0.08 0.00 0.00 32.23 33.38 2crp h LYS 43 CO -0.62 -0.61 0.06 1.03 -0.57 0.00 0.00 179.45 178.74 2crp h SER 44 N -0.96 -0.32 -0.66 0.86 0.87 -1.11 0.35 113.55 112.58 2crp h SER 44 Ca -0.07 0.22 0.12 0.00 -1.23 0.00 0.00 61.79 60.84 2crp h SER 44 Cb 0.81 0.37 -0.09 0.00 -0.44 0.00 0.00 62.40 63.06 2crp h SER 44 CO -0.02 -0.23 0.20 0.15 -0.53 0.00 0.00 176.83 176.41 2crp h PHE 45 N 0.10 0.34 -0.45 2.24 3.57 -1.02 -1.25 116.94 120.46 2crp h PHE 45 Ca 0.50 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.99 2crp h PHE 45 Cb 0.96 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2crp h PHE 45 CO -0.42 0.02 0.08 -0.07 -2.23 0.00 0.00 178.31 175.69 2crp h LEU 46 N 0.34 0.71 -0.41 0.59 3.38 -0.00 -1.91 115.31 118.02 2crp h LEU 46 Ca 0.35 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.15 2crp h LEU 46 Cb 0.52 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 2crp h LEU 46 CO -0.39 0.79 -0.30 0.11 0.09 0.00 0.00 178.44 178.73 2crp h LYS 47 N 0.61 -0.21 -0.59 1.13 1.57 -0.16 1.44 116.57 120.36 2crp h LYS 47 Ca 0.14 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2crp h LYS 47 Cb 0.37 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2crp h LYS 47 CO 0.01 -0.14 0.09 0.77 -0.57 0.00 0.00 179.45 179.60 2crp h SER 48 N -0.22 0.95 0.86 0.86 0.02 -1.38 -2.17 113.55 112.46 2crp h SER 48 Ca 0.18 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2crp h SER 48 Cb 0.52 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2crp h SER 48 CO -0.53 0.97 0.00 -0.62 -1.14 0.00 0.00 176.83 175.51 2crp n GLU 49 N -4.30 0.13 -2.77 3.45 -0.58 -0.46 -4.89 120.64 111.22 2crp n GLU 49 Ca 0.03 0.27 -0.13 0.00 -0.42 0.00 0.00 57.16 56.92 2crp n GLU 49 Cb 0.28 -1.71 0.03 0.00 -0.57 0.00 0.00 31.44 29.47 2crp n GLU 49 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2crp n PHE 50 N -1.94 -1.20 -2.29 -0.32 3.72 0.47 -4.94 117.46 110.96 2crp n PHE 50 Ca 0.04 0.35 -0.03 0.00 -0.05 0.00 0.00 57.45 57.75 2crp n PHE 50 Cb 0.27 -3.02 0.07 0.00 -0.94 0.00 0.00 39.48 35.86 2crp n PHE 50 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2crp n SER 51 N -0.71 2.26 0.17 4.37 7.64 -0.01 -4.80 113.62 122.54 2crp n SER 51 Ca -0.05 -2.83 0.05 0.00 1.01 0.00 0.00 58.87 57.05 2crp n SER 51 Cb 0.56 -0.41 0.22 0.00 -1.01 0.00 0.00 64.21 63.57 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 1.75 0.00 -0.86 1.43 4.81 -1.90 -3.18 114.58 116.62 2crp h GLU 52 Ca -0.01 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.36 2crp h GLU 52 Cb 1.44 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.75 2crp h GLU 52 CO 0.26 0.42 0.56 1.05 -0.73 0.00 0.00 179.01 180.57 2crp h GLU 53 N 0.00 0.62 0.24 1.92 4.11 -1.87 -1.18 114.58 118.42 2crp h GLU 53 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2crp h GLU 53 Cb 1.08 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2crp h GLU 53 CO 0.05 0.41 -0.21 -0.91 0.07 0.00 0.00 179.01 178.42 2crp h ASN 54 N 0.64 -0.56 0.10 3.06 4.21 -1.82 -2.69 115.58 118.51 2crp h ASN 54 Ca 0.43 0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.98 2crp h ASN 54 Cb 0.74 0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.13 2crp h ASN 54 CO -0.19 -0.32 -0.05 0.25 -1.29 0.00 0.00 177.43 175.84 2crp h LEU 55 N -0.47 -0.11 -0.96 1.61 6.46 -1.55 -3.08 115.31 117.20 2crp h LEU 55 Ca -0.01 -0.07 0.14 0.00 -0.12 0.00 0.00 57.88 57.82 2crp h LEU 55 Cb 0.43 0.03 -0.15 0.00 -0.73 0.00 0.00 40.66 40.24 2crp h LEU 55 CO -0.03 0.00 -0.39 -0.62 -0.62 0.00 0.00 178.44 176.78 2crp n GLU 56 N -5.11 -0.24 -0.30 1.25 -0.58 -0.52 0.18 120.64 115.33 2crp n GLU 56 Ca -0.08 1.48 0.22 0.00 -0.42 0.00 0.00 57.16 58.35 2crp n GLU 56 Cb 0.11 -2.19 0.51 0.00 -0.57 0.00 0.00 31.44 29.30 2crp n GLU 56 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2crp h PHE 57 N 0.00 0.60 0.45 -0.32 3.57 -1.39 0.49 116.94 120.35 2crp h PHE 57 Ca 0.32 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 2crp h PHE 57 Cb 0.56 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2crp h PHE 57 CO -0.86 0.10 -0.22 2.35 -2.23 0.00 0.00 178.31 177.45 2crp h TRP 58 N 0.40 -0.56 -0.67 0.41 7.01 0.19 -2.52 115.95 120.21 2crp h TRP 58 Ca 0.55 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.67 2crp h TRP 58 Cb 1.39 0.19 -0.10 0.00 -2.10 0.00 0.00 29.16 28.53 2crp h TRP 58 CO -0.00 -0.35 0.10 0.82 -2.79 0.00 0.00 178.44 176.21 2crp h ILE 59 N -1.15 0.52 0.01 2.65 2.04 -0.63 -1.47 117.51 119.47 2crp h ILE 59 Ca -0.06 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2crp h ILE 59 Cb 0.47 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2crp h ILE 59 CO 0.10 0.04 -0.13 0.00 0.00 0.00 0.00 178.15 178.16 2crp h ALA 60 N 1.58 -0.15 -0.29 1.87 0.00 -1.01 -2.35 119.26 118.90 2crp h ALA 60 Ca 0.37 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.31 2crp h ALA 60 Cb 0.60 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2crp h ALA 60 CO -0.51 -0.62 -0.33 0.00 0.00 0.00 0.00 179.25 177.79 2crp h GLU 62 N -0.20 0.41 0.00 0.00 4.39 -1.41 0.89 114.58 118.66 2crp h GLU 62 Ca 0.05 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2crp h GLU 62 Cb 0.34 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2crp h GLU 62 CO -0.38 0.27 -0.11 0.22 -1.16 0.00 0.00 179.01 177.85 2crp h ASP 63 N 0.42 0.00 1.70 1.42 3.58 -0.36 -1.42 116.42 121.77 2crp h ASP 63 Ca 0.57 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 58.01 2crp h ASP 63 Cb 1.09 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.14 2crp h ASP 63 CO -0.52 0.11 -0.30 0.22 -2.88 0.00 0.00 179.24 175.87 2crp h TYR 64 N 0.00 0.00 -0.17 0.28 5.03 0.29 -3.27 116.97 119.12 2crp h TYR 64 Ca -0.00 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.19 2crp h TYR 64 Cb 0.28 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 2crp h TYR 64 CO 0.00 0.05 -0.40 0.87 -1.32 0.00 0.00 178.16 177.36 2crp h LYS 65 N 0.00 0.40 -0.92 1.82 1.79 -0.35 -2.59 116.57 116.72 2crp h LYS 65 Ca -0.00 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2crp h LYS 65 Cb 1.04 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2crp h LYS 65 CO 0.01 0.74 0.00 0.36 -1.08 0.00 0.00 179.45 179.47 2crp n LYS 66 N -4.03 1.21 -3.37 3.15 2.85 -1.21 -4.77 118.16 111.99 2crp n LYS 66 Ca -0.01 -0.17 -0.41 0.00 -1.05 0.00 0.00 58.31 56.67 2crp n LYS 66 Cb 0.49 -1.51 -0.09 0.00 -0.65 0.00 0.00 35.03 33.27 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 -1.15 5.14 -0.23 0.58 1.01 -0.98 -4.92 121.20 120.65 2crp s ILE 67 Ca 0.03 0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.97 2crp s ILE 67 Cb 0.02 -3.83 -0.21 0.00 0.01 0.00 0.00 42.46 38.46 2crp s ILE 67 CO 0.01 -0.07 -0.08 2.29 0.00 0.00 0.00 174.94 177.09 2crp n LYS 68 N 5.45 0.67 -1.51 2.79 -0.00 -1.26 -4.73 118.16 119.57 2crp n LYS 68 Ca -0.08 0.09 -0.51 0.00 -0.00 0.00 0.00 58.31 57.81 2crp n LYS 68 Cb 0.49 -1.53 -0.05 0.00 -0.00 0.00 0.00 35.03 33.95 2crp n LYS 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2crp n SER 69 N -3.05 0.23 0.21 -5.58 7.64 -1.26 -4.82 113.62 106.99 2crp n SER 69 Ca -0.40 1.15 0.07 0.00 1.01 0.00 0.00 58.87 60.70 2crp n SER 69 Cb 1.06 -1.06 0.43 0.00 -1.01 0.00 0.00 64.21 63.63 2crp n SER 69 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2crp h PRO 70 N 2.54 0.00 0.09 1.43 0.13 -2.00 -1.44 132.00 132.75 2crp h PRO 70 Ca -0.41 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.37 2crp h PRO 70 Cb 1.39 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.50 2crp h PRO 70 CO 0.65 0.31 -1.93 0.00 -0.23 0.00 0.00 178.00 176.80 2crp n ALA 71 N -2.32 1.05 -0.00 -0.56 0.00 -1.26 -4.08 120.51 113.33 2crp n ALA 71 Ca -0.01 -0.64 -0.13 0.00 0.00 0.00 0.00 53.44 52.66 2crp n ALA 71 Cb 0.42 -0.72 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 2crp n ALA 71 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2crp h LYS 72 N 0.05 -0.01 -1.13 0.00 1.63 -1.92 0.45 116.57 115.65 2crp h LYS 72 Ca -0.39 0.00 0.32 0.00 -0.85 0.00 0.00 60.65 59.73 2crp h LYS 72 Cb 2.03 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 33.56 2crp h LYS 72 CO 0.09 0.42 0.73 0.52 -3.45 0.00 0.00 179.45 177.76 2crp h MET 73 N -0.44 0.28 0.00 1.90 2.86 -1.46 0.51 114.93 118.58 2crp h MET 73 Ca -0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2crp h MET 73 Cb 0.43 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 2crp h MET 73 CO 0.00 0.18 -0.58 0.00 1.06 0.00 0.00 176.91 177.57 2crp n ALA 74 N -2.50 0.49 0.10 6.32 0.00 -1.16 -3.76 120.51 119.99 2crp n ALA 74 Ca 0.29 -0.44 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 2crp n ALA 74 Cb 1.05 -0.02 -0.10 0.00 0.00 0.00 0.00 19.45 20.39 2crp n ALA 74 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2crp h GLU 75 N -1.00 -0.71 -0.78 0.00 4.39 0.19 -1.82 114.58 114.84 2crp h GLU 75 Ca -0.02 0.05 0.19 0.00 0.34 0.00 0.00 59.36 59.91 2crp h GLU 75 Cb 0.58 0.16 -0.13 0.00 -0.10 0.00 0.00 28.75 29.26 2crp h GLU 75 CO -0.01 -0.47 0.08 -0.22 -1.16 0.00 0.00 179.01 177.22 2crp h LYS 76 N -0.73 0.14 -0.57 2.33 1.63 -0.15 -0.11 116.57 119.11 2crp h LYS 76 Ca 0.00 -0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.90 2crp h LYS 76 Cb 0.75 -0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.24 2crp h LYS 76 CO -0.30 0.09 -0.24 0.00 -3.45 0.00 0.00 179.45 175.55 2crp h ALA 77 N 1.72 0.16 -0.87 5.00 0.00 -1.43 0.17 119.26 124.02 2crp h ALA 77 Ca 0.45 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.59 2crp h ALA 77 Cb 0.81 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 2crp h ALA 77 CO -0.65 -0.56 0.57 1.57 0.00 0.00 0.00 179.25 180.18 2crp h LYS 78 N -0.10 1.02 0.11 0.00 2.10 -0.77 -2.70 116.57 116.23 2crp h LYS 78 Ca 0.26 -0.06 0.02 0.00 -2.00 0.00 0.00 60.65 58.87 2crp h LYS 78 Cb 0.51 -0.23 -0.04 0.00 -0.90 0.00 0.00 32.23 31.57 2crp h LYS 78 CO -0.64 0.67 -0.33 1.96 -2.00 0.00 0.00 179.45 179.11 2crp h GLN 79 N 1.05 -0.53 -0.14 0.07 4.20 -0.24 0.38 115.11 119.88 2crp h GLN 79 Ca 0.35 0.04 0.04 0.00 0.06 0.00 0.00 58.65 59.14 2crp h GLN 79 Cb 0.08 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2crp h GLN 79 CO -0.11 -0.36 0.15 0.82 -0.67 0.00 0.00 178.83 178.66 2crp h ILE 80 N -0.55 0.53 0.16 2.54 2.04 -1.13 -1.68 117.51 119.43 2crp h ILE 80 Ca 0.03 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.67 2crp h ILE 80 Cb 0.59 0.88 0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2crp h ILE 80 CO -0.20 0.00 -0.98 0.22 0.00 0.00 0.00 178.15 177.19 2crp h TYR 81 N 0.00 0.63 0.00 1.37 5.03 -0.81 -0.91 116.97 122.29 2crp h TYR 81 Ca 0.07 -0.46 0.00 0.00 2.58 0.00 0.00 58.73 60.91 2crp h TYR 81 Cb 0.36 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.62 2crp h TYR 81 CO 0.00 1.38 0.00 0.39 -1.32 0.00 0.00 178.16 178.61 2crp n GLU 82 N -4.03 0.06 -0.09 1.82 1.02 0.12 0.23 120.64 119.76 2crp n GLU 82 Ca -0.15 0.26 -0.19 0.00 -0.02 0.00 0.00 57.16 57.06 2crp n GLU 82 Cb 0.89 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.74 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 0.41 -0.12 3.49 2.13 -0.81 -4.54 120.64 119.78 2crp n GLU 83 Ca 0.04 0.18 -0.21 0.00 0.66 0.00 0.00 57.16 57.82 2crp n GLU 83 Cb 0.12 -1.20 -0.07 0.00 0.27 0.00 0.00 31.44 30.56 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 -3.94 0.00 0.99 4.31 3.72 -0.35 -3.63 117.46 118.55 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 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 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 -4.30 0.60 -4.10 4.37 2.08 0.38 -4.05 119.36 114.34 2crp n ILE 85 Ca -0.38 0.00 -0.26 0.00 0.56 0.00 0.00 62.75 62.67 2crp n ILE 85 Cb 0.73 -0.80 -0.06 0.00 -0.75 0.00 0.00 39.64 38.77 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 -0.38 2.85 0.30 0.38 0.74 0.63 -4.64 119.66 119.54 2crp s GLN 86 Ca 0.00 -0.90 -0.30 0.00 0.05 0.00 0.00 55.36 54.22 2crp s GLN 86 Cb 0.00 -2.61 -0.11 0.00 1.10 0.00 0.00 33.01 31.38 2crp s GLN 86 CO 0.00 0.48 1.59 2.41 -0.55 0.00 0.00 175.29 179.23 2crp n THR 87 N -0.34 1.12 -2.51 -0.34 -1.04 -1.26 -2.08 114.28 107.84 2crp n THR 87 Ca -0.08 -0.28 -0.05 0.00 -2.04 0.00 0.00 64.05 61.60 2crp n THR 87 Cb 0.55 -1.99 -0.01 0.00 -1.82 0.00 0.00 70.33 67.06 2crp n THR 87 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2crp n GLU 88 N 1.99 -2.49 -0.81 -2.82 0.28 -1.26 -4.80 120.64 110.72 2crp n GLU 88 Ca 0.08 0.02 -0.33 0.00 -0.16 0.00 0.00 57.16 56.76 2crp n GLU 88 Cb 0.37 -3.97 0.12 0.00 1.43 0.00 0.00 31.44 29.38 2crp n GLU 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2crp n ALA 89 N -2.38 -2.97 0.17 -1.84 0.00 -0.88 -4.89 120.51 107.72 2crp n ALA 89 Ca 0.01 -0.66 0.02 0.00 0.00 0.00 0.00 53.44 52.81 2crp n ALA 89 Cb 0.43 -1.72 0.30 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.55 0.00 0.00 0.00 0.13 -1.87 -3.19 132.00 125.52 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 0.33 0.46 -0.08 1.63 -0.23 0.00 0.00 178.00 180.12 2crp n LYS 91 N -3.91 1.36 -1.49 0.86 5.02 -1.24 -5.04 118.16 113.72 2crp n LYS 91 Ca -0.01 -2.04 -0.41 0.00 -2.02 0.00 0.00 58.31 53.83 2crp n LYS 91 Cb 0.49 -1.21 -0.14 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.97 0.07 -0.28 1.97 2.13 -1.21 -4.69 120.64 117.65 2crp n GLU 92 Ca 0.10 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.64 2crp n GLU 92 Cb 0.57 -1.62 0.27 0.00 0.27 0.00 0.00 31.44 30.92 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 7.50 0.00 -3.10 6.31 0.24 -1.26 -4.91 118.33 123.11 2crp n VAL 93 Ca 0.64 -0.02 -0.45 0.00 -2.04 0.00 0.00 64.34 62.47 2crp n VAL 93 Cb 0.06 -0.90 -0.03 0.00 -1.47 0.00 0.00 33.84 31.50 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 -2.87 6.47 -0.16 -1.34 2.47 -1.26 -4.97 114.94 113.27 2crp s ASN 94 Ca 0.61 -1.92 -0.04 0.00 0.42 0.00 0.00 52.86 51.93 2crp s ASN 94 Cb -0.11 -2.31 0.07 0.00 -1.45 0.00 0.00 41.25 37.45 2crp s ASN 94 CO 0.52 -0.97 0.17 0.27 -3.72 0.00 0.00 177.10 173.37 2crp s ILE 95 N 2.10 -0.25 1.01 -5.21 -4.36 -1.26 -4.76 121.20 108.46 2crp s ILE 95 Ca 0.20 0.01 -0.15 0.00 -0.26 0.00 0.00 60.65 60.45 2crp s ILE 95 Cb -0.14 -0.54 0.05 0.00 1.25 0.00 0.00 42.46 43.08 2crp s ILE 95 CO -0.02 -0.12 0.25 -0.90 0.24 0.00 0.00 174.94 174.39 2crp n ASP 96 N 5.31 -2.26 -0.33 4.36 5.68 -1.26 -4.32 116.55 123.73 2crp n ASP 96 Ca -0.06 0.18 0.14 0.00 -0.50 0.00 0.00 54.79 54.55 2crp n ASP 96 Cb 0.49 -1.12 0.35 0.00 -1.14 0.00 0.00 41.12 39.71 2crp n ASP 96 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2crp h HIS 97 N -1.71 0.96 -0.03 2.11 -0.00 -2.01 0.51 115.15 114.99 2crp h HIS 97 Ca -0.47 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 59.95 2crp h HIS 97 Cb 1.31 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 28.39 2crp h HIS 97 CO 0.31 0.24 -0.27 0.35 -0.00 0.00 0.00 177.93 178.56 2crp h PHE 98 N 0.71 -0.81 -0.11 5.26 3.57 -2.00 0.27 116.94 123.84 2crp h PHE 98 Ca 0.54 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 62.06 2crp h PHE 98 Cb 0.91 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 40.00 2crp h PHE 98 CO -0.00 -0.29 0.02 1.15 -2.23 0.00 0.00 178.31 176.96 2crp h THR 99 N -0.32 1.21 -0.83 4.41 2.02 -1.78 -2.86 112.91 114.75 2crp h THR 99 Ca 0.01 -0.65 0.20 0.00 0.77 0.00 0.00 66.41 66.74 2crp h THR 99 Cb 0.36 1.43 -0.13 0.00 -1.74 0.00 0.00 68.15 68.07 2crp h THR 99 CO -0.20 0.19 0.22 0.50 0.37 0.00 0.00 175.52 176.61 2crp h LYS 100 N -0.04 0.25 -0.41 6.66 3.11 -0.74 0.90 116.57 126.30 2crp h LYS 100 Ca 0.03 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 2crp h LYS 100 Cb 0.27 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 2crp h LYS 100 CO 0.00 0.16 0.21 0.22 -2.81 0.00 0.00 179.45 177.24 2crp h ASP 101 N 0.25 0.52 -0.29 4.20 3.58 -0.33 -3.19 116.42 121.16 2crp h ASP 101 Ca 0.50 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.88 2crp h ASP 101 Cb 0.94 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.81 2crp h ASP 101 CO -0.59 0.47 -0.32 0.40 -2.88 0.00 0.00 179.24 176.33 2crp h ILE 102 N 0.52 0.00 -0.93 2.25 1.08 -0.60 -1.13 117.51 118.70 2crp h ILE 102 Ca 0.14 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.78 2crp h ILE 102 Cb 0.08 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.67 2crp h ILE 102 CO -0.02 0.00 -0.31 0.74 -0.69 0.00 0.00 178.15 177.87 2crp h THR 103 N -0.18 0.04 -0.37 -0.27 2.02 -1.51 0.99 112.91 113.63 2crp h THR 103 Ca 0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.30 2crp h THR 103 Cb 0.32 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.68 2crp h THR 103 CO -0.37 0.00 -0.41 0.24 0.37 0.00 0.00 175.52 175.35 2crp h MET 104 N -0.02 -0.32 0.00 6.66 2.86 -1.21 0.63 114.93 123.52 2crp h MET 104 Ca 0.38 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 2crp h MET 104 Cb 0.63 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2crp h MET 104 CO -0.95 -0.22 0.00 0.87 1.06 0.00 0.00 176.91 177.68 2crp h LYS 105 N -0.34 0.00 -0.29 1.72 1.57 -0.31 0.22 116.57 119.14 2crp h LYS 105 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2crp h LYS 105 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2crp h LYS 105 CO -0.55 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.42 2crp n ASN 106 N -3.01 2.21 -0.47 0.86 3.02 0.21 -3.78 115.26 114.30 2crp n ASN 106 Ca -0.03 -1.85 0.13 0.00 -0.03 0.00 0.00 54.58 52.80 2crp n ASN 106 Cb 0.07 -0.19 0.38 0.00 -0.61 0.00 0.00 39.78 39.43 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 0.68 1.58 0.01 3.41 4.77 0.77 -3.27 117.00 124.95 2crp n LEU 107 Ca 0.16 -0.51 -0.05 0.00 -0.03 0.00 0.00 56.01 55.59 2crp n LEU 107 Cb 0.39 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 2crp n LEU 107 CO 0.13 0.27 0.14 0.58 -1.33 0.00 0.00 177.39 177.18 2crp h VAL 108 N 2.29 0.30 -1.47 4.08 2.07 -1.71 -3.40 116.25 118.41 2crp h VAL 108 Ca 0.00 -1.08 -0.54 0.00 0.82 0.00 0.00 66.70 65.90 2crp h VAL 108 Cb 0.59 0.54 -0.42 0.00 -1.52 0.00 0.00 31.29 30.48 2crp h VAL 108 CO 0.00 0.09 -0.82 -1.84 0.02 0.00 0.00 177.57 175.02 2crp n GLU 109 N -4.86 2.94 -2.21 1.57 0.28 -1.26 -5.08 120.64 112.02 2crp n GLU 109 Ca -0.03 -4.27 -0.42 0.00 -0.16 0.00 0.00 57.16 52.28 2crp n GLU 109 Cb 0.13 -2.04 -0.03 0.00 1.43 0.00 0.00 31.44 30.93 2crp n GLU 109 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2crp s PRO 110 N -3.44 4.36 0.00 3.44 0.04 -1.20 -4.93 135.00 133.27 2crp s PRO 110 Ca 0.44 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2crp s PRO 110 Cb 0.40 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2crp s PRO 110 CO -0.14 -0.34 0.00 0.43 0.04 0.00 0.00 177.00 176.99 2crp n SER 111 N 3.34 0.00 0.00 6.66 7.64 -1.26 -4.44 113.62 125.56 2crp n SER 111 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2crp n SER 111 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 -2.24 0.69 -1.44 -3.43 4.77 -1.26 -4.79 117.00 109.30 2crp n LEU 112 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2crp n LEU 112 Cb 0.00 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.29 2crp n LEU 112 CO 0.00 -0.01 0.72 -1.20 -1.33 0.00 0.00 177.39 175.56 2crp n SER 113 N -2.25 3.70 -0.33 -1.43 7.64 -1.26 -4.38 113.62 115.31 2crp n SER 113 Ca 0.00 -2.66 -0.01 0.00 1.01 0.00 0.00 58.87 57.21 2crp n SER 113 Cb 0.20 -0.64 0.12 0.00 -1.01 0.00 0.00 64.21 62.89 2crp n SER 113 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2crp h SER 114 N 1.84 0.96 -0.72 6.43 4.64 -1.88 -2.09 113.55 122.73 2crp h SER 114 Ca 0.11 -0.01 -0.40 0.00 -0.47 0.00 0.00 61.79 61.02 2crp h SER 114 Cb 1.59 -0.21 -0.23 0.00 -0.31 0.00 0.00 62.40 63.23 2crp h SER 114 CO 0.40 0.65 0.30 0.49 -0.87 0.00 0.00 176.83 177.79 2crp n PHE 115 N -4.53 2.26 0.25 4.77 3.01 -1.26 -4.69 117.46 117.27 2crp n PHE 115 Ca 0.12 -1.91 -0.16 0.00 1.01 0.00 0.00 57.45 56.51 2crp n PHE 115 Cb 0.10 -0.79 -0.08 0.00 -0.01 0.00 0.00 39.48 38.70 2crp n PHE 115 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2crp h ASP 116 N 1.18 -0.52 0.81 4.37 3.58 -1.67 0.78 116.42 124.96 2crp h ASP 116 Ca 0.45 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.88 2crp h ASP 116 Cb 2.07 0.14 0.01 0.00 1.72 0.00 0.00 39.33 43.27 2crp h ASP 116 CO 0.85 -0.36 -0.39 -0.03 -2.88 0.00 0.00 179.24 176.43 2crp h MET 117 N -0.58 -1.05 -1.01 0.28 4.05 -1.83 -0.84 114.93 113.95 2crp h MET 117 Ca -0.05 0.07 0.26 0.00 -0.28 0.00 0.00 59.70 59.70 2crp h MET 117 Cb 0.46 0.24 -0.13 0.00 -0.80 0.00 0.00 31.60 31.37 2crp h MET 117 CO 0.08 -0.70 0.59 0.00 0.23 0.00 0.00 176.91 177.12 2crp h ALA 118 N -1.38 1.84 0.35 0.39 0.00 -1.88 0.62 119.26 119.20 2crp h ALA 118 Ca -0.11 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2crp h ALA 118 Cb 0.83 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2crp h ALA 118 CO 0.18 -0.35 -0.17 0.37 0.00 0.00 0.00 179.25 179.29 2crp h GLN 119 N 0.52 -0.45 0.00 0.00 4.15 -0.70 -2.17 115.11 116.47 2crp h GLN 119 Ca 0.67 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 60.09 2crp h GLN 119 Cb 1.34 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 29.13 2crp h GLN 119 CO -0.50 -0.15 -0.12 1.57 -1.93 0.00 0.00 178.83 177.70 2crp h LYS 120 N -0.76 0.00 0.70 1.69 2.10 0.14 -1.02 116.57 119.43 2crp h LYS 120 Ca -0.05 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.57 2crp h LYS 120 Cb 0.51 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2crp h LYS 120 CO 0.08 0.12 -0.34 -0.09 -2.00 0.00 0.00 179.45 177.22 2crp h ARG 121 N 0.00 -0.91 -0.75 0.07 1.12 0.33 -2.23 114.38 112.01 2crp h ARG 121 Ca -0.00 0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 2crp h ARG 121 Cb 0.25 0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 30.38 2crp h ARG 121 CO 0.02 -0.61 0.43 0.82 -3.11 0.00 0.00 179.97 177.52 2crp h ILE 122 N -1.25 1.22 -0.84 1.20 1.08 -1.30 -2.28 117.51 115.33 2crp h ILE 122 Ca -0.10 -0.51 0.11 0.00 -0.39 0.00 0.00 64.86 63.97 2crp h ILE 122 Cb 0.73 0.20 -0.06 0.00 -3.07 0.00 0.00 36.82 34.62 2crp h ILE 122 CO 0.16 0.23 0.55 -0.74 -0.69 0.00 0.00 178.15 177.66 2crp h HIS 123 N 1.02 0.83 0.00 1.37 2.76 -1.23 0.26 115.15 120.17 2crp h HIS 123 Ca 0.27 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2crp h HIS 123 Cb -0.00 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.69 2crp h HIS 123 CO -0.01 0.37 0.00 0.00 -1.30 0.00 0.00 177.93 176.99 2crp h ALA 124 N 1.59 1.00 0.00 5.26 0.00 -0.81 -2.88 119.26 123.42 2crp h ALA 124 Ca 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 2crp h ALA 124 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2crp h ALA 124 CO -0.16 0.00 -0.56 1.25 0.00 0.00 0.00 179.25 179.78 2crp h LEU 125 N 0.00 0.00 -0.18 0.00 5.85 -0.39 -3.11 115.31 117.47 2crp h LEU 125 Ca 0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2crp h LEU 125 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2crp h LEU 125 CO 0.00 0.95 0.04 0.23 -0.34 0.00 0.00 178.44 179.32 2crp n MET 126 N -4.59 0.02 -0.04 1.25 0.00 -0.32 0.20 117.12 113.63 2crp n MET 126 Ca -0.13 0.48 -0.02 0.00 0.00 0.00 0.00 57.70 58.04 2crp n MET 126 Cb 0.36 -1.60 -0.14 0.00 0.00 0.00 0.00 33.22 31.84 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 -1.57 0.66 0.00 0.03 0.28 -1.09 0.69 120.64 119.65 2crp n GLU 127 Ca -0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 2crp n GLU 127 Cb 0.04 -1.60 0.03 0.00 1.43 0.00 0.00 31.44 31.34 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 -2.65 0.80 0.01 3.44 -0.00 0.51 -4.01 118.16 116.26 2crp n LYS 128 Ca -0.19 -0.92 -0.01 0.00 -0.00 0.00 0.00 58.31 57.19 2crp n LYS 128 Cb 0.91 -1.14 -0.00 0.00 -0.00 0.00 0.00 35.03 34.79 2crp n LYS 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2crp n ASP 129 N 0.31 0.42 -0.06 -5.58 2.03 0.53 -4.75 116.55 109.45 2crp n ASP 129 Ca 0.05 0.06 -0.11 0.00 0.52 0.00 0.00 54.79 55.31 2crp n ASP 129 Cb 0.22 -0.19 -0.10 0.00 -0.72 0.00 0.00 41.12 40.33 2crp n ASP 129 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2crp h SER 130 N -0.06 -0.01 -0.95 1.67 4.64 -1.64 -3.10 113.55 114.11 2crp h SER 130 Ca 0.00 -0.74 0.16 0.00 -0.47 0.00 0.00 61.79 60.74 2crp h SER 130 Cb 0.06 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.99 2crp h SER 130 CO 0.00 0.85 -0.32 -0.11 -0.87 0.00 0.00 176.83 176.38 2crp n LEU 131 N -4.67 -0.52 0.25 5.97 7.94 0.22 0.21 117.00 126.40 2crp n LEU 131 Ca -0.08 1.64 0.14 0.00 -1.11 0.00 0.00 56.01 56.60 2crp n LEU 131 Cb 0.36 -0.42 0.61 0.00 0.53 0.00 0.00 43.42 44.51 2crp n LEU 131 CO 0.26 -1.51 0.92 1.55 -1.11 0.00 0.00 177.39 177.50 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.70 -2.59 132.00 129.80 2crp h PRO 132 Ca 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.50 2crp h PRO 132 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2crp h PRO 132 CO -0.95 0.11 -0.97 0.54 -0.23 0.00 0.00 178.00 176.50 2crp n ARG 133 N -3.29 0.29 0.03 0.86 5.12 0.55 -4.00 116.66 116.23 2crp n ARG 133 Ca -0.00 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 55.80 2crp n ARG 133 Cb 0.34 -1.61 -0.14 0.00 -1.16 0.00 0.00 32.46 29.90 2crp n ARG 133 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2crp h PHE 134 N 0.00 0.24 0.00 -1.55 3.57 0.22 -3.28 116.94 116.14 2crp h PHE 134 Ca 0.00 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.29 2crp h PHE 134 Cb 0.73 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 2crp h PHE 134 CO 0.00 1.24 -0.16 -0.39 -2.23 0.00 0.00 178.31 176.77 2crp h VAL 135 N 0.04 0.41 -0.01 1.41 -1.51 -1.63 -3.15 116.25 111.81 2crp h VAL 135 Ca -0.23 -0.93 -0.08 0.00 -1.23 0.00 0.00 66.70 64.23 2crp h VAL 135 Cb 1.98 1.68 0.01 0.00 -2.13 0.00 0.00 31.29 32.82 2crp h VAL 135 CO 0.12 0.16 -0.31 0.03 -1.23 0.00 0.00 177.57 176.34 2crp h ARG 136 N 0.00 0.23 -6.96 5.19 2.47 -1.69 -3.38 114.38 110.24 2crp h ARG 136 Ca -0.00 -0.23 -0.44 0.00 -1.26 0.00 0.00 59.98 58.04 2crp h ARG 136 Cb 0.66 0.06 0.22 0.00 -1.65 0.00 0.00 29.97 29.27 2crp h ARG 136 CO 0.02 0.94 -0.39 -1.13 0.56 0.00 0.00 179.97 179.97 2crp n SER 137 N -4.45 -2.02 -0.15 7.04 3.41 -1.19 -4.78 113.62 111.48 2crp n SER 137 Ca -0.10 -0.17 -0.12 0.00 -0.26 0.00 0.00 58.87 58.23 2crp n SER 137 Cb 0.52 -1.15 -0.00 0.00 -0.26 0.00 0.00 64.21 63.32 2crp n SER 137 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2crp h GLU 138 N -2.51 0.99 -0.90 4.33 4.81 -1.89 -3.00 114.58 116.41 2crp h GLU 138 Ca -0.60 -0.44 0.36 0.00 -0.13 0.00 0.00 59.36 58.55 2crp h GLU 138 Cb 1.34 -0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.56 2crp h GLU 138 CO 0.46 1.12 0.50 1.19 -0.73 0.00 0.00 179.01 181.55 2crp n PHE 139 N -4.10 0.93 -0.08 0.92 3.01 -1.26 -0.38 117.46 116.51 2crp n PHE 139 Ca -0.00 0.94 -0.09 0.00 1.01 0.00 0.00 57.45 59.30 2crp n PHE 139 Cb 0.48 -1.35 -0.05 0.00 -0.01 0.00 0.00 39.48 38.54 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 0.00 -1.72 1.38 3.20 -1.66 -3.29 116.97 114.88 2crp h TYR 140 Ca 0.72 0.00 0.50 0.00 3.14 0.00 0.00 58.73 63.10 2crp h TYR 140 Cb 1.98 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 40.18 2crp h TYR 140 CO -0.01 0.52 1.23 1.96 -1.64 0.00 0.00 178.16 180.22 2crp h GLN 141 N -1.00 0.01 0.02 1.82 1.08 -0.89 1.81 115.11 117.96 2crp h GLN 141 Ca -0.09 -0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.88 2crp h GLN 141 Cb 0.68 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2crp h GLN 141 CO -0.06 0.01 -0.98 1.05 -0.95 0.00 0.00 178.83 177.90 2crp h GLU 142 N 0.01 0.33 -0.77 1.46 4.11 -0.85 0.44 114.58 119.32 2crp h GLU 142 Ca 0.83 -0.39 0.19 0.00 0.07 0.00 0.00 59.36 60.06 2crp h GLU 142 Cb 3.28 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 32.61 2crp h GLU 142 CO -0.05 1.09 0.53 -0.07 0.07 0.00 0.00 179.01 180.58 2crp h LEU 143 N 0.17 0.22 0.00 3.06 3.38 0.27 0.19 115.31 122.61 2crp h LEU 143 Ca -0.08 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 2crp h LEU 143 Cb 1.63 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.31 2crp h LEU 143 CO 0.16 0.10 -1.84 2.30 0.09 0.00 0.00 178.44 179.25 2crp n ILE 144 N -4.42 0.84 0.22 1.22 -0.00 -1.17 -4.73 119.36 111.32 2crp n ILE 144 Ca 0.15 -0.44 -0.09 0.00 -0.00 0.00 0.00 62.75 62.37 2crp n ILE 144 Cb 0.68 -0.83 -0.04 0.00 -0.00 0.00 0.00 39.64 39.45 2crp n ILE 144 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2crp h SER 145 N 0.00 -0.52 0.00 7.28 0.87 0.17 -3.47 113.55 117.88 2crp h SER 145 Ca -0.33 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2crp h SER 145 Cb 1.65 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 2crp h SER 145 CO -0.01 -0.16 0.00 0.61 -0.53 0.00 0.00 176.83 176.74 2crp n GLY 146 N 0.07 0.55 3.57 5.77 0.00 0.65 -3.22 105.19 112.59 2crp n GLY 146 Ca -0.08 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 2crp n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crp s PRO 147 N 0.00 2.52 0.26 1.61 0.04 -1.26 -4.82 135.00 133.35 2crp s PRO 147 Ca 0.00 -0.75 -0.18 0.00 0.04 0.00 0.00 61.00 60.11 2crp s PRO 147 Cb 0.00 -5.16 0.07 0.00 0.04 0.00 0.00 34.50 29.45 2crp s PRO 147 CO 0.00 -3.70 0.89 -1.13 0.04 0.00 0.00 177.00 173.10 2crp n SER 148 N 14.21 -1.88 -4.35 6.66 3.41 -1.20 -5.17 113.62 125.29 2crp n SER 148 Ca 0.43 -2.14 -0.29 0.00 -0.26 0.00 0.00 58.87 56.60 2crp n SER 148 Cb 0.47 3.10 0.18 0.00 -0.26 0.00 0.00 64.21 67.70 2crp n SER 148 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2crp s SER 149 N -3.19 2.64 0.00 4.04 0.15 -1.26 -5.10 113.70 110.98 2crp s SER 149 Ca 0.19 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.55 2crp s SER 149 Cb -0.04 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2crp s SER 149 CO 0.08 -3.07 0.00 0.61 1.20 0.00 0.00 173.24 172.06