#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 7.25 -0.42 1.61 1.04 -1.26 -5.02 113.70 116.91 2crp s SER 2 Ca 0.00 2.16 -0.03 0.00 0.48 0.00 0.00 55.95 58.55 2crp s SER 2 Cb 0.00 -2.61 0.11 0.00 0.10 0.00 0.00 66.02 63.62 2crp s SER 2 CO 0.00 -0.21 0.22 -0.55 0.98 0.00 0.00 173.24 173.68 2crp s SER 3 N -0.32 5.29 0.00 7.02 0.15 -1.26 -4.99 113.70 119.60 2crp s SER 3 Ca 0.48 -2.04 0.00 0.00 0.70 0.00 0.00 55.95 55.09 2crp s SER 3 Cb -0.30 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2crp s SER 3 CO 0.37 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2crp n GLY 4 N 4.59 0.46 3.57 9.45 0.00 -1.26 -5.12 105.19 116.89 2crp n GLY 4 Ca -0.02 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 2crp n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crp s SER 5 N -4.00 -0.13 0.12 1.61 1.04 -1.26 -5.19 113.70 105.90 2crp s SER 5 Ca 0.00 -0.78 -0.24 0.00 0.48 0.00 0.00 55.95 55.40 2crp s SER 5 Cb 0.00 0.58 0.07 0.00 0.10 0.00 0.00 66.02 66.77 2crp s SER 5 CO 0.00 -1.11 0.63 -0.44 0.98 0.00 0.00 173.24 173.29 2crp s SER 6 N -2.97 -0.57 0.00 7.02 0.01 -1.26 -5.14 113.70 110.79 2crp s SER 6 Ca 0.18 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2crp s SER 6 Cb -0.01 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.80 2crp s SER 6 CO 0.05 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.41 2crp n GLY 7 N -0.21 2.22 3.64 3.44 0.00 -1.26 -5.16 105.19 107.86 2crp n GLY 7 Ca -0.17 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.26 -0.37 0.56 1.61 0.04 -1.26 -5.08 135.00 130.24 2crp s PRO 8 Ca 0.00 0.25 0.07 0.00 0.04 0.00 0.00 61.00 61.36 2crp s PRO 8 Cb 0.00 -1.67 0.06 0.00 0.04 0.00 0.00 34.50 32.93 2crp s PRO 8 CO 0.00 -3.21 0.58 -1.21 0.04 0.00 0.00 177.00 173.20 2crp s GLU 9 N -5.15 2.28 0.11 4.56 2.02 -1.26 -5.15 118.70 116.11 2crp s GLU 9 Ca 0.68 -1.85 0.05 0.00 0.02 0.00 0.00 54.97 53.88 2crp s GLU 9 Cb -0.15 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 2crp s GLU 9 CO 0.57 -0.73 -0.13 -1.59 0.02 0.00 0.00 175.26 173.40 2crp s LYS 10 N -4.45 0.97 1.24 1.61 -2.85 -1.26 -5.16 119.74 109.83 2crp s LYS 10 Ca 0.47 -1.20 -0.20 0.00 -1.00 0.00 0.00 55.97 54.03 2crp s LYS 10 Cb -0.04 -0.82 0.30 0.00 -2.06 0.00 0.00 37.83 35.22 2crp s LYS 10 CO 0.29 0.15 1.11 -1.25 0.10 0.00 0.00 175.35 175.76 2crp s PRO 11 N -2.64 -1.51 0.30 1.78 0.04 -1.26 -5.09 135.00 126.64 2crp s PRO 11 Ca 0.07 -0.17 0.04 0.00 0.04 0.00 0.00 61.00 60.98 2crp s PRO 11 Cb -0.05 -1.57 0.04 0.00 0.04 0.00 0.00 34.50 32.96 2crp s PRO 11 CO 0.02 -3.88 0.36 0.00 0.04 0.00 0.00 177.00 173.54 2crp n ALA 12 N -4.86 0.59 -1.99 8.56 0.00 -1.26 -5.14 120.51 116.41 2crp n ALA 12 Ca 0.15 -1.14 -0.24 0.00 0.00 0.00 0.00 53.44 52.21 2crp n ALA 12 Cb 0.60 0.37 0.11 0.00 0.00 0.00 0.00 19.45 20.53 2crp n ALA 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2crp s LYS 13 N -3.33 1.60 0.45 0.00 2.20 -1.26 -5.12 119.74 114.27 2crp s LYS 13 Ca 0.27 -1.10 0.08 0.00 -0.36 0.00 0.00 55.97 54.86 2crp s LYS 13 Cb -0.02 -2.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 2crp s LYS 13 CO 0.17 -1.52 0.46 -0.08 -0.36 0.00 0.00 175.35 174.02 2crp s THR 14 N -3.19 2.55 0.77 3.43 -1.32 -1.26 -5.13 115.64 111.49 2crp s THR 14 Ca 0.67 -1.26 -0.13 0.00 -1.21 0.00 0.00 61.69 59.75 2crp s THR 14 Cb -0.05 -2.82 0.18 0.00 -1.51 0.00 0.00 72.50 68.30 2crp s THR 14 CO 0.45 0.00 1.03 0.00 -2.21 0.00 0.00 174.62 173.89 2crp n GLN 15 N -1.69 -1.06 -4.58 7.08 10.64 -1.26 -5.11 117.38 121.39 2crp n GLN 15 Ca 0.05 -1.59 -0.27 0.00 -1.83 0.00 0.00 57.00 53.36 2crp n GLN 15 Cb 0.62 -1.07 -0.09 0.00 -0.86 0.00 0.00 30.24 28.83 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 -5.25 1.92 0.20 2.61 -0.14 -1.26 -5.05 119.74 112.77 2crp s LYS 16 Ca 0.58 -2.14 -0.22 0.00 -1.36 0.00 0.00 55.97 52.83 2crp s LYS 16 Cb -0.02 -1.12 -0.08 0.00 -1.68 0.00 0.00 37.83 34.93 2crp s LYS 16 CO 0.41 -0.28 0.75 0.99 -0.76 0.00 0.00 175.35 176.47 2crp s THR 17 N -3.05 4.48 0.59 2.17 2.01 -1.26 -5.07 115.64 115.50 2crp s THR 17 Ca 0.25 1.47 -0.07 0.00 0.31 0.00 0.00 61.69 63.66 2crp s THR 17 Cb 0.06 -3.97 -0.00 0.00 0.01 0.00 0.00 72.50 68.59 2crp s THR 17 CO 0.13 0.33 0.91 -0.55 -0.69 0.00 0.00 174.62 174.75 2crp s SER 18 N -1.44 5.75 0.04 3.53 0.15 -1.26 -4.90 113.70 115.57 2crp s SER 18 Ca 0.40 0.86 -0.29 0.00 0.70 0.00 0.00 55.95 57.62 2crp s SER 18 Cb -0.19 -1.89 -0.17 0.00 -1.71 0.00 0.00 66.02 62.05 2crp s SER 18 CO 0.23 -0.99 1.45 0.25 1.20 0.00 0.00 173.24 175.37 2crp h LEU 19 N -0.17 -0.58 -0.57 3.45 7.12 -1.88 -0.65 115.31 122.02 2crp h LEU 19 Ca -0.46 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.51 2crp h LEU 19 Cb 1.24 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.52 2crp h LEU 19 CO 0.61 -0.31 0.08 -0.67 -0.13 0.00 0.00 178.44 178.02 2crp n ASP 20 N -5.33 0.22 -0.08 1.25 2.03 -1.26 -2.37 116.55 111.01 2crp n ASP 20 Ca -0.12 0.56 -0.06 0.00 0.52 0.00 0.00 54.79 55.68 2crp n ASP 20 Cb 0.31 -0.57 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 2crp n ASP 20 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2crp n GLU 21 N -1.78 0.47 -0.67 -0.67 4.07 -0.82 -3.81 120.64 117.43 2crp n GLU 21 Ca -0.01 0.51 0.50 0.00 -0.06 0.00 0.00 57.16 58.10 2crp n GLU 21 Cb 0.09 -1.68 0.77 0.00 -0.06 0.00 0.00 31.44 30.57 2crp n GLU 21 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2crp n ALA 22 N -3.69 1.79 0.06 4.31 0.00 -0.32 0.23 120.51 122.90 2crp n ALA 22 Ca -0.10 0.62 -0.21 0.00 0.00 0.00 0.00 53.44 53.75 2crp n ALA 22 Cb 0.32 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 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 0.81 -1.35 0.00 3.38 -1.71 -3.15 115.31 113.28 2crp h LEU 23 Ca 0.89 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2crp h LEU 23 Cb 3.58 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 44.08 2crp h LEU 23 CO -0.01 1.51 0.18 1.56 0.09 0.00 0.00 178.44 181.76 2crp h GLN 24 N 0.21 0.00 0.00 1.13 4.20 0.29 0.25 115.11 121.18 2crp h GLN 24 Ca -0.15 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 2crp h GLN 24 Cb 1.72 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.49 2crp h GLN 24 CO 0.20 0.00 -0.18 -1.49 -0.67 0.00 0.00 178.83 176.69 2crp h TRP 25 N 0.00 0.00 -0.17 2.96 6.55 -1.48 -3.05 115.95 120.77 2crp h TRP 25 Ca 0.00 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.64 2crp h TRP 25 Cb 0.35 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.66 2crp h TRP 25 CO 0.00 0.18 -0.70 0.00 -1.05 0.00 0.00 178.44 176.86 2crp h ARG 26 N 0.00 0.73 0.04 0.49 3.08 -0.70 -3.31 114.38 114.71 2crp h ARG 26 Ca -0.00 -0.55 0.02 0.00 0.07 0.00 0.00 59.98 59.52 2crp h ARG 26 Cb 0.73 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.83 2crp h ARG 26 CO 0.02 1.17 -0.50 -0.44 -1.07 0.00 0.00 179.97 179.15 2crp h ASP 27 N 0.52 -1.53 -3.87 7.04 3.32 -1.64 -3.43 116.42 116.83 2crp h ASP 27 Ca -0.03 0.17 -0.35 0.00 0.02 0.00 0.00 57.03 56.84 2crp h ASP 27 Cb 1.31 0.58 -0.29 0.00 0.22 0.00 0.00 39.33 41.15 2crp h ASP 27 CO 0.14 -0.52 -0.76 -0.55 -1.72 0.00 0.00 179.24 175.83 2crp s SER 28 N -4.73 0.72 0.52 6.45 0.15 -1.25 -5.02 113.70 110.54 2crp s SER 28 Ca -0.16 -0.11 0.21 0.00 0.70 0.00 0.00 55.95 56.59 2crp s SER 28 Cb 0.07 -0.12 1.34 0.00 -1.71 0.00 0.00 66.02 65.59 2crp s SER 28 CO 0.62 0.05 2.06 0.25 1.20 0.00 0.00 173.24 177.42 2crp h LEU 29 N 6.17 0.01 0.39 3.45 5.85 -1.83 -2.51 115.31 126.83 2crp h LEU 29 Ca -0.30 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 2crp h LEU 29 Cb 1.18 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2crp h LEU 29 CO 0.50 0.01 -0.38 0.44 -0.34 0.00 0.00 178.44 178.66 2crp h ASP 30 N 0.01 -1.02 -0.78 1.25 3.32 -1.95 -0.80 116.42 116.45 2crp h ASP 30 Ca 0.15 0.09 0.22 0.00 0.02 0.00 0.00 57.03 57.51 2crp h ASP 30 Cb 0.59 0.34 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 2crp h ASP 30 CO -0.00 -0.53 0.85 0.11 -1.72 0.00 0.00 179.24 177.95 2crp h LYS 31 N -0.79 0.00 0.00 3.56 1.57 -1.75 0.23 116.57 119.39 2crp h LYS 31 Ca -0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2crp h LYS 31 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 2crp h LYS 31 CO -0.06 0.00 -0.10 1.25 -0.57 0.00 0.00 179.45 179.97 2crp h LEU 32 N 0.00 0.00 -0.47 2.94 5.85 -1.25 -3.18 115.31 119.19 2crp h LEU 32 Ca 0.37 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.08 2crp h LEU 32 Cb 2.07 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 43.04 2crp h LEU 32 CO -0.00 0.59 0.14 -0.07 -0.34 0.00 0.00 178.44 178.75 2crp h LEU 33 N -1.00 0.10 -0.61 2.25 3.38 -0.07 -1.84 115.31 117.51 2crp h LEU 33 Ca -0.01 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2crp h LEU 33 Cb 0.17 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 2crp h LEU 33 CO -0.00 0.08 0.20 1.56 0.09 0.00 0.00 178.44 180.37 2crp h GLN 34 N 0.29 0.35 -6.36 1.13 4.20 -0.79 -3.39 115.11 110.55 2crp h GLN 34 Ca 0.23 -0.02 -0.57 0.00 0.06 0.00 0.00 58.65 58.35 2crp h GLN 34 Cb 0.27 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 2crp h GLN 34 CO -0.26 0.23 1.02 -0.80 -0.67 0.00 0.00 178.83 178.35 2crp s ASN 35 N -5.36 6.56 0.15 1.46 -0.87 -0.74 -4.92 114.94 111.23 2crp s ASN 35 Ca -0.13 1.25 -0.31 0.00 -1.57 0.00 0.00 52.86 52.10 2crp s ASN 35 Cb 0.17 -2.54 -0.06 0.00 -0.02 0.00 0.00 41.25 38.81 2crp s ASN 35 CO 0.74 -1.16 1.55 -0.55 -2.57 0.00 0.00 177.10 175.11 2crp h ASN 36 N 9.79 -1.95 -0.37 -1.22 -1.07 -1.80 0.22 115.58 119.19 2crp h ASN 36 Ca -0.28 0.29 0.04 0.00 0.07 0.00 0.00 56.30 56.42 2crp h ASN 36 Cb 1.11 0.84 -0.07 0.00 -2.07 0.00 0.00 38.32 38.13 2crp h ASN 36 CO 1.03 -0.31 -0.49 0.22 0.07 0.00 0.00 177.43 177.95 2crp h TYR 37 N -0.18 -1.51 -0.34 4.14 3.20 -1.91 0.23 116.97 120.61 2crp h TYR 37 Ca 0.14 0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.15 2crp h TYR 37 Cb 0.51 0.71 -0.07 0.00 1.54 0.00 0.00 36.73 39.42 2crp h TYR 37 CO -0.87 -0.43 -0.09 0.78 -1.64 0.00 0.00 178.16 175.91 2crp h GLY 38 N -0.34 0.25 0.32 1.82 0.00 -1.47 -2.26 103.07 101.38 2crp h GLY 38 Ca 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2crp h GLY 38 CO -0.53 -0.13 -0.31 -2.00 0.00 0.00 0.00 176.54 173.57 2crp h LEU 39 N -0.00 -0.85 -0.97 3.11 5.85 0.34 0.46 115.31 123.26 2crp h LEU 39 Ca 0.16 0.07 0.14 0.00 0.84 0.00 0.00 57.88 59.10 2crp h LEU 39 Cb 0.25 0.28 -0.15 0.00 0.37 0.00 0.00 40.66 41.41 2crp h LEU 39 CO -0.35 -0.41 -0.39 0.00 -0.34 0.00 0.00 178.44 176.94 2crp n ALA 40 N -2.59 -0.16 -0.16 1.25 0.00 0.74 0.80 120.51 120.38 2crp n ALA 40 Ca -0.07 0.95 -0.06 0.00 0.00 0.00 0.00 53.44 54.26 2crp n ALA 40 Cb 0.29 -0.40 0.11 0.00 0.00 0.00 0.00 19.45 19.44 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 0.89 -0.95 0.00 0.87 -1.21 -2.73 113.55 110.43 2crp h SER 41 Ca 0.32 -0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 2crp h SER 41 Cb 0.56 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 2crp h SER 41 CO -0.95 0.93 0.62 0.15 -0.53 0.00 0.00 176.83 177.04 2crp h PHE 42 N 0.87 1.13 0.49 2.24 3.57 0.53 -2.63 116.94 123.14 2crp h PHE 42 Ca 0.17 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2crp h PHE 42 Cb 0.45 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2crp h PHE 42 CO 0.03 0.62 -0.24 0.87 -2.23 0.00 0.00 178.31 177.37 2crp h LYS 43 N 1.14 -0.64 -0.99 1.11 1.57 -0.50 -3.05 116.57 115.21 2crp h LYS 43 Ca 0.39 0.04 0.38 0.00 -1.87 0.00 0.00 60.65 59.60 2crp h LYS 43 Cb 0.10 0.15 -0.18 0.00 0.08 0.00 0.00 32.23 32.37 2crp h LYS 43 CO -0.14 -0.43 0.41 0.45 -0.57 0.00 0.00 179.45 179.18 2crp n SER 44 N -4.17 0.23 -0.04 0.86 2.88 -1.11 0.79 113.62 113.07 2crp n SER 44 Ca -0.08 1.65 -0.08 0.00 -1.33 0.00 0.00 58.87 59.02 2crp n SER 44 Cb 0.26 -0.75 -0.03 0.00 -0.75 0.00 0.00 64.21 62.94 2crp n SER 44 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2crp h PHE 45 N 0.00 -0.09 -0.30 0.66 3.57 -1.40 -2.58 116.94 116.80 2crp h PHE 45 Ca 0.78 0.02 0.05 0.00 3.53 0.00 0.00 57.97 62.35 2crp h PHE 45 Cb 1.98 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 40.75 2crp h PHE 45 CO -0.13 -0.08 0.01 -0.07 -2.23 0.00 0.00 178.31 175.81 2crp h LEU 46 N 0.01 -0.10 -1.22 0.59 4.07 0.49 -1.43 115.31 117.71 2crp h LEU 46 Ca 0.10 0.07 0.37 0.00 0.08 0.00 0.00 57.88 58.49 2crp h LEU 46 Cb 0.14 0.11 -0.13 0.00 1.08 0.00 0.00 40.66 41.86 2crp h LEU 46 CO -0.20 -0.02 0.69 0.11 -1.08 0.00 0.00 178.44 177.94 2crp h LYS 47 N 0.10 0.21 -0.33 1.13 1.57 -1.05 1.26 116.57 119.46 2crp h LYS 47 Ca 0.14 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 2crp h LYS 47 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2crp h LYS 47 CO -0.24 0.14 -0.27 1.03 -0.57 0.00 0.00 179.45 179.54 2crp h SER 48 N 0.21 0.68 0.14 0.86 0.87 -1.16 -2.70 113.55 112.46 2crp h SER 48 Ca 0.76 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 2crp h SER 48 Cb 2.05 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.82 2crp h SER 48 CO -0.50 0.92 -0.23 -0.62 -0.53 0.00 0.00 176.83 175.88 2crp n GLU 49 N -4.10 1.11 -2.23 2.24 1.02 0.36 -4.93 120.64 114.11 2crp n GLU 49 Ca -0.00 -0.71 -0.17 0.00 -0.02 0.00 0.00 57.16 56.25 2crp n GLU 49 Cb 0.45 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.37 2crp n GLU 49 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2crp n PHE 50 N -0.32 -0.72 -1.29 -0.32 3.01 0.29 -4.88 117.46 113.23 2crp n PHE 50 Ca 0.13 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.64 2crp n PHE 50 Cb 0.38 -3.39 0.20 0.00 -0.01 0.00 0.00 39.48 36.66 2crp n PHE 50 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2crp n SER 51 N -1.22 2.55 0.12 4.37 2.88 -1.00 -4.66 113.62 116.66 2crp n SER 51 Ca -0.20 -3.46 0.10 0.00 -1.33 0.00 0.00 58.87 53.98 2crp n SER 51 Cb 0.64 -0.54 0.46 0.00 -0.75 0.00 0.00 64.21 64.03 2crp n SER 51 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2crp n GLU 52 N -1.08 0.14 0.00 -1.46 2.13 -1.26 -2.12 120.64 116.99 2crp n GLU 52 Ca 0.23 0.49 -0.03 0.00 0.66 0.00 0.00 57.16 58.50 2crp n GLU 52 Cb 0.82 -1.83 0.21 0.00 0.27 0.00 0.00 31.44 30.91 2crp n GLU 52 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2crp h GLU 53 N 0.00 0.52 -0.42 5.31 9.09 -1.87 -2.26 114.58 124.95 2crp h GLU 53 Ca 0.00 -0.18 0.02 0.00 0.05 0.00 0.00 59.36 59.25 2crp h GLU 53 Cb 0.19 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.23 2crp h GLU 53 CO 0.00 0.69 0.28 -0.91 0.05 0.00 0.00 179.01 179.11 2crp h ASN 54 N 0.46 0.44 0.11 3.06 2.35 -1.71 -2.66 115.58 117.63 2crp h ASN 54 Ca 0.08 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 2crp h ASN 54 Cb 0.60 -0.11 0.02 0.00 0.05 0.00 0.00 38.32 38.88 2crp h ASN 54 CO 0.04 0.31 -0.68 0.25 -1.65 0.00 0.00 177.43 175.71 2crp h LEU 55 N 0.51 0.41 -0.62 1.61 6.46 -1.64 -3.32 115.31 118.71 2crp h LEU 55 Ca 0.16 -0.94 0.12 0.00 -0.12 0.00 0.00 57.88 57.10 2crp h LEU 55 Cb 0.02 -0.13 -0.12 0.00 -0.73 0.00 0.00 40.66 39.70 2crp h LEU 55 CO -0.04 1.32 -0.25 -0.33 -0.62 0.00 0.00 178.44 178.51 2crp h GLU 56 N -0.43 -0.09 -0.89 1.25 4.39 -1.09 0.44 114.58 118.16 2crp h GLU 56 Ca -0.12 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.77 2crp h GLU 56 Cb 1.51 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 30.11 2crp h GLU 56 CO 0.13 -0.06 0.58 0.35 -1.16 0.00 0.00 179.01 178.85 2crp h PHE 57 N -0.09 0.67 0.39 4.33 3.57 -1.61 -0.68 116.94 123.52 2crp h PHE 57 Ca 0.28 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 2crp h PHE 57 Cb 0.53 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2crp h PHE 57 CO -0.59 0.20 -0.19 2.35 -2.23 0.00 0.00 178.31 177.86 2crp h TRP 58 N 0.53 -0.48 -0.91 0.41 7.01 -0.28 -1.26 115.95 120.96 2crp h TRP 58 Ca 0.46 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.70 2crp h TRP 58 Cb 0.98 0.16 -0.14 0.00 -2.10 0.00 0.00 29.16 28.07 2crp h TRP 58 CO -0.00 -0.30 0.38 0.82 -2.79 0.00 0.00 178.44 176.54 2crp h ILE 59 N -0.90 0.39 -0.43 2.65 2.04 -0.86 0.24 117.51 120.64 2crp h ILE 59 Ca -0.05 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 2crp h ILE 59 Cb 0.40 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2crp h ILE 59 CO 0.09 0.06 -0.14 0.00 0.00 0.00 0.00 178.15 178.15 2crp h ALA 60 N 1.76 0.60 0.12 1.87 0.00 -1.18 -2.40 119.26 120.03 2crp h ALA 60 Ca 0.59 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2crp h ALA 60 Cb 1.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2crp h ALA 60 CO -0.59 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 178.98 2crp h GLU 62 N -0.38 0.28 -0.05 0.00 4.39 -1.25 -1.48 114.58 116.09 2crp h GLU 62 Ca 0.02 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2crp h GLU 62 Cb 0.39 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2crp h GLU 62 CO -0.10 0.22 -0.65 0.22 -1.16 0.00 0.00 179.01 177.53 2crp h ASP 63 N 0.28 0.22 0.53 1.42 1.82 -0.81 -3.05 116.42 116.85 2crp h ASP 63 Ca 0.07 -0.14 -0.09 0.00 -0.39 0.00 0.00 57.03 56.48 2crp h ASP 63 Cb 0.03 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 2crp h ASP 63 CO -0.01 0.82 -0.45 0.22 -1.61 0.00 0.00 179.24 178.20 2crp h TYR 64 N 0.14 0.00 0.00 0.28 5.03 0.24 -2.63 116.97 120.03 2crp h TYR 64 Ca -0.01 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 2crp h TYR 64 Cb 1.18 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.46 2crp h TYR 64 CO 0.02 0.45 -0.03 0.87 -1.32 0.00 0.00 178.16 178.15 2crp h LYS 65 N 0.00 0.00 -0.77 1.82 1.79 -1.34 -1.59 116.57 116.47 2crp h LYS 65 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2crp h LYS 65 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2crp h LYS 65 CO 0.06 0.03 0.00 1.63 -1.08 0.00 0.00 179.45 180.09 2crp n LYS 66 N -3.23 1.98 -4.15 3.15 5.02 -0.99 -4.82 118.16 115.12 2crp n LYS 66 Ca -0.01 -0.85 -0.35 0.00 -2.02 0.00 0.00 58.31 55.08 2crp n LYS 66 Cb 0.19 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.49 2crp n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2crp s ILE 67 N -1.53 4.58 0.00 -0.18 1.01 -0.60 -4.96 121.20 119.53 2crp s ILE 67 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2crp s ILE 67 Cb 0.11 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.56 2crp s ILE 67 CO 0.05 0.51 0.16 2.29 0.00 0.00 0.00 174.94 177.96 2crp n LYS 68 N 3.11 3.15 -2.31 2.79 0.00 -1.26 -4.86 118.16 118.78 2crp n LYS 68 Ca -0.17 -0.16 -0.41 0.00 -0.00 0.00 0.00 58.31 57.56 2crp n LYS 68 Cb 0.53 -0.61 -0.03 0.00 -0.00 0.00 0.00 35.03 34.91 2crp n LYS 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2crp s SER 69 N -0.50 7.02 0.00 -5.58 0.15 -1.26 -4.91 113.70 108.62 2crp s SER 69 Ca 0.00 2.34 0.14 0.00 0.70 0.00 0.00 55.95 59.13 2crp s SER 69 Cb 0.00 -2.61 0.65 0.00 -1.71 0.00 0.00 66.02 62.35 2crp s SER 69 CO 0.00 -0.41 1.44 -0.81 1.20 0.00 0.00 173.24 174.66 2crp n PRO 70 N 2.21 0.07 -0.10 5.44 -0.04 -1.26 -1.30 135.00 140.01 2crp n PRO 70 Ca 0.04 0.22 -0.18 0.00 -0.04 0.00 0.00 63.50 63.54 2crp n PRO 70 Cb 0.44 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 2crp n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2crp n ALA 71 N -1.43 1.61 -0.05 0.55 0.00 -1.26 -4.44 120.51 115.49 2crp n ALA 71 Ca 0.05 -0.83 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 2crp n ALA 71 Cb 0.15 0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.36 0.31 -1.06 0.00 1.63 -1.95 0.13 116.57 115.26 2crp h LYS 72 Ca -0.48 -0.17 0.28 0.00 -0.85 0.00 0.00 60.65 59.43 2crp h LYS 72 Cb 1.58 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 33.14 2crp h LYS 72 CO -0.19 0.72 0.71 0.52 -3.45 0.00 0.00 179.45 177.76 2crp h MET 73 N -0.09 0.24 0.00 1.90 2.86 -1.46 0.67 114.93 119.04 2crp h MET 73 Ca 0.02 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2crp h MET 73 Cb 0.67 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2crp h MET 73 CO 0.03 0.16 -0.64 0.00 1.06 0.00 0.00 176.91 177.52 2crp n ALA 74 N -2.58 0.51 0.18 6.32 0.00 -1.16 -3.93 120.51 119.85 2crp n ALA 74 Ca 0.25 -0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.10 2crp n ALA 74 Cb 0.98 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.72 -1.11 0.00 5.08 -0.47 -1.56 114.58 114.80 2crp h GLU 75 Ca -0.06 0.05 0.35 0.00 -1.00 0.00 0.00 59.36 58.70 2crp h GLU 75 Cb 0.64 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.92 2crp h GLU 75 CO -0.04 -0.48 0.68 -0.22 -1.00 0.00 0.00 179.01 177.95 2crp h LYS 76 N -0.74 0.25 -0.13 2.33 1.63 0.16 0.29 116.57 120.36 2crp h LYS 76 Ca -0.01 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2crp h LYS 76 Cb 0.71 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 2crp h LYS 76 CO -0.15 0.17 0.07 0.00 -3.45 0.00 0.00 179.45 176.08 2crp h ALA 77 N 1.73 0.15 -0.51 5.00 0.00 -1.40 -2.18 119.26 122.05 2crp h ALA 77 Ca 0.73 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.68 2crp h ALA 77 Cb 1.93 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 2crp h ALA 77 CO -0.49 -0.38 0.34 1.57 0.00 0.00 0.00 179.25 180.30 2crp h LYS 78 N 0.14 0.54 0.77 0.00 2.10 -0.23 -2.33 116.57 117.56 2crp h LYS 78 Ca 0.05 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.63 2crp h LYS 78 Cb 0.00 -0.12 0.01 0.00 -0.90 0.00 0.00 32.23 31.22 2crp h LYS 78 CO -0.03 0.36 -0.37 1.96 -2.00 0.00 0.00 179.45 179.37 2crp h GLN 79 N 0.56 -1.00 -0.22 0.07 4.20 -0.88 0.27 115.11 118.11 2crp h GLN 79 Ca 0.21 0.07 0.06 0.00 0.06 0.00 0.00 58.65 59.05 2crp h GLN 79 Cb 0.14 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2crp h GLN 79 CO -0.06 -0.65 0.26 0.82 -0.67 0.00 0.00 178.83 178.54 2crp h ILE 80 N -1.13 0.41 0.14 2.54 2.04 -1.21 -1.26 117.51 119.03 2crp h ILE 80 Ca -0.11 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.53 2crp h ILE 80 Cb 0.81 0.79 0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2crp h ILE 80 CO 0.17 0.00 -1.05 0.22 0.00 0.00 0.00 178.15 177.49 2crp h TYR 81 N 0.00 0.52 0.00 1.37 5.03 -1.01 -1.53 116.97 121.35 2crp h TYR 81 Ca 0.10 -0.38 0.00 0.00 2.58 0.00 0.00 58.73 61.03 2crp h TYR 81 Cb 0.62 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.88 2crp h TYR 81 CO 0.00 1.41 0.00 0.39 -1.32 0.00 0.00 178.16 178.64 2crp n GLU 82 N -4.04 0.06 -0.09 1.82 -0.58 0.91 0.22 120.64 118.93 2crp n GLU 82 Ca -0.18 0.27 -0.17 0.00 -0.42 0.00 0.00 57.16 56.66 2crp n GLU 82 Cb 0.86 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 30.17 2crp n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2crp n GLU 83 N -1.42 0.42 -0.12 3.49 2.13 -0.73 -4.53 120.64 119.87 2crp n GLU 83 Ca 0.04 0.18 -0.22 0.00 0.66 0.00 0.00 57.16 57.81 2crp n GLU 83 Cb 0.11 -1.21 -0.08 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 -4.00 0.04 0.98 4.31 3.72 -0.58 -3.65 117.46 118.27 2crp n PHE 84 Ca -0.31 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 2crp n PHE 84 Cb 0.66 -0.83 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 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 -4.33 0.56 -4.08 4.37 2.08 0.43 -4.07 119.36 114.33 2crp n ILE 85 Ca -0.40 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 62.63 2crp n ILE 85 Cb 0.75 -0.78 -0.06 0.00 -0.75 0.00 0.00 39.64 38.80 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 -0.41 2.83 0.30 0.38 0.74 0.59 -4.64 119.66 119.45 2crp s GLN 86 Ca 0.00 -0.82 -0.29 0.00 0.05 0.00 0.00 55.36 54.30 2crp s GLN 86 Cb 0.00 -2.65 -0.12 0.00 1.10 0.00 0.00 33.01 31.34 2crp s GLN 86 CO 0.00 0.52 1.44 2.41 -0.55 0.00 0.00 175.29 179.10 2crp n THR 87 N 0.03 1.43 -2.44 -0.34 -1.04 -1.26 -1.82 114.28 108.83 2crp n THR 87 Ca -0.09 -0.36 -0.07 0.00 -2.04 0.00 0.00 64.05 61.50 2crp n THR 87 Cb 0.53 -1.71 -0.01 0.00 -1.82 0.00 0.00 70.33 67.32 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 1.41 -2.24 -0.84 -2.82 0.28 -1.26 -4.79 120.64 110.38 2crp n GLU 88 Ca 0.07 0.02 -0.34 0.00 -0.16 0.00 0.00 57.16 56.76 2crp n GLU 88 Cb 0.35 -3.61 0.10 0.00 1.43 0.00 0.00 31.44 29.72 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 -2.24 -3.48 0.08 -1.84 0.00 -0.76 -4.89 120.51 107.39 2crp n ALA 89 Ca 0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 53.44 52.73 2crp n ALA 89 Cb 0.39 -1.60 0.19 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.45 0.26 0.00 0.00 0.13 -1.87 -3.24 132.00 125.83 2crp h PRO 90 Ca -0.44 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2crp h PRO 90 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2crp h PRO 90 CO 0.32 0.67 -0.01 1.63 -0.23 0.00 0.00 178.00 180.37 2crp n LYS 91 N -3.99 2.33 -1.04 0.86 5.02 -1.25 -5.04 118.16 115.05 2crp n LYS 91 Ca -0.02 -1.55 -0.39 0.00 -2.02 0.00 0.00 58.31 54.33 2crp n LYS 91 Cb 0.52 -1.01 -0.10 0.00 -0.02 0.00 0.00 35.03 34.41 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 -0.59 0.00 -0.17 1.97 2.13 -1.22 -4.73 120.64 118.03 2crp n GLU 92 Ca 0.03 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.64 2crp n GLU 92 Cb 0.35 -1.14 0.20 0.00 0.27 0.00 0.00 31.44 31.12 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 5.31 0.00 -3.23 6.31 0.24 -1.26 -4.91 118.33 120.79 2crp n VAL 93 Ca 0.46 0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 62.30 2crp n VAL 93 Cb -0.00 -0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 31.68 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 -2.68 6.61 -0.12 -1.34 2.47 -1.26 -4.98 114.94 113.64 2crp s ASN 94 Ca 0.45 -2.33 -0.04 0.00 0.42 0.00 0.00 52.86 51.35 2crp s ASN 94 Cb -0.08 -2.26 0.05 0.00 -1.45 0.00 0.00 41.25 37.51 2crp s ASN 94 CO 0.38 -0.76 0.08 0.27 -3.72 0.00 0.00 177.10 173.34 2crp s ILE 95 N 1.08 -0.07 0.79 -5.21 -4.36 -1.26 -4.83 121.20 107.34 2crp s ILE 95 Ca 0.19 0.05 -0.15 0.00 -0.26 0.00 0.00 60.65 60.48 2crp s ILE 95 Cb -0.13 -0.43 0.00 0.00 1.25 0.00 0.00 42.46 43.16 2crp s ILE 95 CO -0.06 -0.10 0.65 -0.67 0.24 0.00 0.00 174.94 175.00 2crp n ASP 96 N 5.28 -0.90 -0.40 4.36 2.03 -1.26 -4.38 116.55 121.29 2crp n ASP 96 Ca -0.06 0.54 0.32 0.00 0.52 0.00 0.00 54.79 56.11 2crp n ASP 96 Cb 0.49 -1.28 0.62 0.00 -0.72 0.00 0.00 41.12 40.24 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 -0.72 0.47 0.00 -0.67 3.86 -2.00 -0.82 115.15 115.26 2crp h HIS 97 Ca -0.45 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2crp h HIS 97 Cb 1.32 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2crp h HIS 97 CO 0.38 -0.07 0.00 0.34 0.86 0.00 0.00 177.93 179.44 2crp n PHE 98 N -4.55 0.00 -0.00 2.45 7.35 -1.26 -0.32 117.46 121.12 2crp n PHE 98 Ca 0.31 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.90 2crp n PHE 98 Cb 1.23 -0.46 -0.05 0.00 0.35 0.00 0.00 39.48 40.55 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 0.98 -0.74 -2.13 2.02 -1.71 -2.67 112.91 108.66 2crp h THR 99 Ca 0.00 -0.03 0.16 0.00 0.77 0.00 0.00 66.41 67.31 2crp h THR 99 Cb 0.00 0.88 -0.13 0.00 -1.74 0.00 0.00 68.15 67.16 2crp h THR 99 CO 0.00 0.02 -0.02 0.50 0.37 0.00 0.00 175.52 176.38 2crp h LYS 100 N 0.10 0.08 -0.65 6.66 3.11 -1.13 0.15 116.57 124.89 2crp h LYS 100 Ca 0.05 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.90 2crp h LYS 100 Cb 0.02 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.19 2crp h LYS 100 CO -0.04 0.06 0.42 -0.44 -2.81 0.00 0.00 179.45 176.63 2crp h ASP 101 N 0.09 0.70 -0.19 4.20 5.19 -0.35 -3.09 116.42 122.96 2crp h ASP 101 Ca 0.40 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.82 2crp h ASP 101 Cb 0.68 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 39.98 2crp h ASP 101 CO -0.67 0.50 -0.35 0.40 -3.12 0.00 0.00 179.24 175.99 2crp h ILE 102 N 0.83 0.00 -0.87 0.35 1.08 -0.38 -1.67 117.51 116.85 2crp h ILE 102 Ca 0.25 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.88 2crp h ILE 102 Cb -0.03 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.56 2crp h ILE 102 CO -0.08 0.00 -0.29 0.74 -0.69 0.00 0.00 178.15 177.83 2crp h THR 103 N -0.30 0.09 -0.61 -0.27 2.02 -1.42 0.14 112.91 112.55 2crp h THR 103 Ca 0.04 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.33 2crp h THR 103 Cb 0.40 0.09 -0.12 0.00 -1.74 0.00 0.00 68.15 66.78 2crp h THR 103 CO -0.34 0.00 -0.31 0.24 0.37 0.00 0.00 175.52 175.48 2crp h MET 104 N -0.03 -0.13 0.00 6.66 2.86 -1.27 0.92 114.93 123.94 2crp h MET 104 Ca 0.37 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.02 2crp h MET 104 Cb 0.62 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2crp h MET 104 CO -0.90 -0.09 -0.03 0.87 1.06 0.00 0.00 176.91 177.82 2crp h LYS 105 N -0.14 0.00 -0.25 1.72 1.57 -0.36 0.14 116.57 119.25 2crp h LYS 105 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2crp h LYS 105 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2crp h LYS 105 CO -0.69 0.03 0.00 0.09 -0.57 0.00 0.00 179.45 178.31 2crp n ASN 106 N -3.34 1.78 -0.40 0.86 3.02 0.31 -3.64 115.26 113.85 2crp n ASN 106 Ca -0.02 -1.84 0.13 0.00 -0.03 0.00 0.00 54.58 52.82 2crp n ASN 106 Cb 0.15 -0.17 0.34 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.42 1.46 0.01 3.41 4.77 0.04 -3.27 117.00 123.84 2crp n LEU 107 Ca 0.14 -0.46 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 2crp n LEU 107 Cb 0.32 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 2crp n LEU 107 CO 0.11 0.26 0.12 0.58 -1.33 0.00 0.00 177.39 177.12 2crp h VAL 108 N 1.97 0.22 -1.55 4.08 2.07 -1.72 -3.40 116.25 117.92 2crp h VAL 108 Ca 0.00 -1.03 -0.56 0.00 0.82 0.00 0.00 66.70 65.93 2crp h VAL 108 Cb 0.58 0.40 -0.42 0.00 -1.52 0.00 0.00 31.29 30.33 2crp h VAL 108 CO 0.00 0.07 -0.78 -1.84 0.02 0.00 0.00 177.57 175.03 2crp n GLU 109 N -4.86 3.10 -2.24 1.57 0.28 -1.26 -5.08 120.64 112.15 2crp n GLU 109 Ca -0.03 -4.38 -0.41 0.00 -0.16 0.00 0.00 57.16 52.18 2crp n GLU 109 Cb 0.11 -2.12 -0.03 0.00 1.43 0.00 0.00 31.44 30.83 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 -3.47 4.43 0.00 3.44 0.04 -1.20 -4.93 135.00 133.31 2crp s PRO 110 Ca 0.45 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2crp s PRO 110 Cb 0.39 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2crp s PRO 110 CO -0.16 -0.14 0.00 0.45 0.04 0.00 0.00 177.00 177.19 2crp n SER 111 N 1.83 0.00 0.00 6.66 2.88 -1.26 -4.51 113.62 119.21 2crp n SER 111 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2crp n SER 111 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2crp n SER 111 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2crp n LEU 112 N -2.41 0.53 -1.14 2.46 4.77 -1.26 -4.79 117.00 115.17 2crp n LEU 112 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2crp n LEU 112 Cb 0.00 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 2crp n LEU 112 CO 0.00 -0.08 0.54 -1.54 -1.33 0.00 0.00 177.39 174.99 2crp n SER 113 N -2.30 3.07 -0.04 -1.43 3.41 -1.26 -4.34 113.62 110.73 2crp n SER 113 Ca 0.00 -2.42 -0.09 0.00 -0.26 0.00 0.00 58.87 56.10 2crp n SER 113 Cb 0.19 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.53 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 1.63 0.01 -0.94 4.04 4.64 -1.88 -2.18 113.55 118.87 2crp h SER 114 Ca 0.02 0.03 -0.46 0.00 -0.47 0.00 0.00 61.79 60.91 2crp h SER 114 Cb 1.19 0.04 -0.28 0.00 -0.31 0.00 0.00 62.40 63.05 2crp h SER 114 CO 0.23 0.03 0.59 0.49 -0.87 0.00 0.00 176.83 177.31 2crp n PHE 115 N -5.09 2.93 0.22 4.77 3.72 -1.26 -4.60 117.46 118.14 2crp n PHE 115 Ca -0.02 -1.72 -0.15 0.00 -0.05 0.00 0.00 57.45 55.50 2crp n PHE 115 Cb 0.09 -0.90 -0.07 0.00 -0.94 0.00 0.00 39.48 37.66 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 1.23 -0.63 0.52 4.37 3.58 -1.67 0.14 116.42 123.96 2crp h ASP 116 Ca 0.57 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 58.04 2crp h ASP 116 Cb 2.76 0.20 0.01 0.00 1.72 0.00 0.00 39.33 44.01 2crp h ASP 116 CO 1.03 -0.38 -0.25 -0.03 -2.88 0.00 0.00 179.24 176.73 2crp h MET 117 N -0.59 -0.67 -0.94 0.28 4.05 -1.81 -1.11 114.93 114.14 2crp h MET 117 Ca -0.03 0.05 0.28 0.00 -0.28 0.00 0.00 59.70 59.71 2crp h MET 117 Cb 0.50 0.15 -0.15 0.00 -0.80 0.00 0.00 31.60 31.31 2crp h MET 117 CO 0.01 -0.45 0.39 0.00 0.23 0.00 0.00 176.91 177.10 2crp h ALA 118 N -1.57 1.60 0.38 0.39 0.00 -1.88 0.65 119.26 118.83 2crp h ALA 118 Ca -0.07 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2crp h ALA 118 Cb 0.53 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2crp h ALA 118 CO 0.12 -0.51 -0.18 0.37 0.00 0.00 0.00 179.25 179.04 2crp h GLN 119 N 0.27 -0.50 0.00 0.00 4.15 -0.66 -1.40 115.11 116.97 2crp h GLN 119 Ca 0.64 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 60.07 2crp h GLN 119 Cb 1.37 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 29.17 2crp h GLN 119 CO -0.63 -0.24 -0.10 1.57 -1.93 0.00 0.00 178.83 177.50 2crp h LYS 120 N -0.69 0.00 -0.01 1.69 2.10 0.29 0.94 116.57 120.89 2crp h LYS 120 Ca -0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2crp h LYS 120 Cb 0.49 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2crp h LYS 120 CO 0.09 0.10 -0.01 -0.09 -2.00 0.00 0.00 179.45 177.53 2crp h ARG 121 N 0.00 0.02 -0.15 0.07 1.12 0.50 -2.68 114.38 113.25 2crp h ARG 121 Ca -0.00 -0.01 -0.16 0.00 -1.11 0.00 0.00 59.98 58.70 2crp h ARG 121 Cb 0.26 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.23 2crp h ARG 121 CO 0.01 0.57 -0.52 0.82 -3.11 0.00 0.00 179.97 177.74 2crp h ILE 122 N -0.53 1.33 -0.98 1.20 1.08 -1.01 -3.08 117.51 115.52 2crp h ILE 122 Ca 0.00 -1.78 0.13 0.00 -0.39 0.00 0.00 64.86 62.81 2crp h ILE 122 Cb 0.56 2.02 -0.08 0.00 -3.07 0.00 0.00 36.82 36.26 2crp h ILE 122 CO 0.00 0.55 0.62 -0.74 -0.69 0.00 0.00 178.15 177.89 2crp h HIS 123 N 0.28 1.08 0.00 1.37 2.76 -0.91 0.24 115.15 119.97 2crp h HIS 123 Ca -0.02 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 2crp h HIS 123 Cb 1.15 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.76 2crp h HIS 123 CO 0.10 0.41 -0.15 0.00 -1.30 0.00 0.00 177.93 176.99 2crp h ALA 124 N 1.56 1.03 0.20 5.26 0.00 -1.47 -2.61 119.26 123.24 2crp h ALA 124 Ca 0.49 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.94 2crp h ALA 124 Cb 0.56 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2crp h ALA 124 CO -0.26 0.19 -1.45 1.25 0.00 0.00 0.00 179.25 178.98 2crp h LEU 125 N 0.00 0.66 -0.07 0.00 5.85 -0.51 -2.65 115.31 118.59 2crp h LEU 125 Ca -0.00 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.97 2crp h LEU 125 Cb 0.66 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2crp h LEU 125 CO 0.02 1.60 0.00 0.23 -0.34 0.00 0.00 178.44 179.95 2crp n MET 126 N -3.63 0.06 -0.02 1.25 0.00 -0.31 0.13 117.12 114.61 2crp n MET 126 Ca -0.15 0.15 0.08 0.00 0.00 0.00 0.00 57.70 57.77 2crp n MET 126 Cb 1.08 -1.58 -0.16 0.00 0.00 0.00 0.00 33.22 32.56 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 -1.68 0.66 -0.00 0.03 0.28 -0.99 0.61 120.64 119.54 2crp n GLU 127 Ca 0.05 -0.15 0.05 0.00 -0.16 0.00 0.00 57.16 56.95 2crp n GLU 127 Cb 0.29 -1.54 -0.06 0.00 1.43 0.00 0.00 31.44 31.56 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 3.17 0.00 3.44 2.85 -1.00 -4.12 118.16 120.14 2crp n LYS 128 Ca -0.08 -0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.16 2crp n LYS 128 Cb 0.66 -1.04 -0.00 0.00 -0.65 0.00 0.00 35.03 34.00 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 -1.29 0.69 0.15 -5.58 -0.08 0.12 -4.70 116.55 105.86 2crp n ASP 129 Ca 0.02 0.10 -0.08 0.00 -1.51 0.00 0.00 54.79 53.32 2crp n ASP 129 Cb 0.18 -0.31 -0.04 0.00 2.34 0.00 0.00 41.12 43.29 2crp n ASP 129 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2crp h SER 130 N -0.16 -0.39 -0.71 1.67 0.02 -1.60 -2.39 113.55 109.99 2crp h SER 130 Ca 0.00 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 2crp h SER 130 Cb 0.16 0.10 -0.10 0.00 0.14 0.00 0.00 62.40 62.70 2crp h SER 130 CO 0.00 0.05 -0.32 -0.11 -1.14 0.00 0.00 176.83 175.31 2crp n LEU 131 N -5.08 -0.55 0.20 5.07 7.94 0.20 0.26 117.00 125.03 2crp n LEU 131 Ca -0.06 1.24 0.07 0.00 -1.11 0.00 0.00 56.01 56.15 2crp n LEU 131 Cb 0.19 -0.24 0.43 0.00 0.53 0.00 0.00 43.42 44.33 2crp n LEU 131 CO 0.15 -1.08 0.75 1.55 -1.11 0.00 0.00 177.39 177.66 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.71 -2.61 132.00 129.77 2crp h PRO 132 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2crp h PRO 132 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2crp h PRO 132 CO -0.69 0.31 -0.53 0.54 -0.23 0.00 0.00 178.00 177.41 2crp n ARG 133 N -3.65 0.17 0.05 0.86 5.12 0.71 -3.95 116.66 115.97 2crp n ARG 133 Ca -0.01 0.05 -0.20 0.00 -1.93 0.00 0.00 57.85 55.76 2crp n ARG 133 Cb 0.43 -1.61 -0.14 0.00 -1.16 0.00 0.00 32.46 29.98 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 0.55 0.00 -1.55 3.57 0.31 -3.31 116.94 116.51 2crp h PHE 134 Ca 0.00 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2crp h PHE 134 Cb 0.64 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2crp h PHE 134 CO 0.00 1.58 0.00 -0.39 -2.23 0.00 0.00 178.31 177.27 2crp h VAL 135 N 0.08 0.00 0.20 1.41 -1.51 -1.61 -2.63 116.25 112.18 2crp h VAL 135 Ca -0.33 -0.19 -0.33 0.00 -1.23 0.00 0.00 66.70 64.61 2crp h VAL 135 Cb 2.06 0.90 0.02 0.00 -2.13 0.00 0.00 31.29 32.14 2crp h VAL 135 CO 0.15 0.00 -1.56 0.03 -1.23 0.00 0.00 177.57 174.96 2crp h ARG 136 N 0.00 0.41 -6.80 5.19 2.47 -1.69 -3.40 114.38 110.57 2crp h ARG 136 Ca 0.00 -0.71 -0.51 0.00 -1.26 0.00 0.00 59.98 57.50 2crp h ARG 136 Cb 0.28 0.26 0.03 0.00 -1.65 0.00 0.00 29.97 28.89 2crp h ARG 136 CO 0.00 1.32 0.54 -1.54 0.56 0.00 0.00 179.97 180.86 2crp s SER 137 N -7.34 7.08 0.31 7.04 1.04 -0.99 -4.86 113.70 115.98 2crp s SER 137 Ca -0.11 2.39 0.10 0.00 0.48 0.00 0.00 55.95 58.81 2crp s SER 137 Cb 0.05 -2.63 0.95 0.00 0.10 0.00 0.00 66.02 64.50 2crp s SER 137 CO 0.89 -0.31 1.46 -1.84 0.98 0.00 0.00 173.24 174.42 2crp n GLU 138 N 1.39 -0.07 -0.25 4.02 0.28 -1.26 -0.02 120.64 124.73 2crp n GLU 138 Ca 0.01 1.34 0.23 0.00 -0.16 0.00 0.00 57.16 58.57 2crp n GLU 138 Cb 0.44 -2.25 0.39 0.00 1.43 0.00 0.00 31.44 31.45 2crp n GLU 138 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2crp n PHE 139 N -5.25 0.54 -0.09 -1.84 3.01 -1.26 0.44 117.46 113.02 2crp n PHE 139 Ca 0.28 0.55 -0.14 0.00 1.01 0.00 0.00 57.45 59.14 2crp n PHE 139 Cb 0.93 -0.95 -0.08 0.00 -0.01 0.00 0.00 39.48 39.37 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 -1.00 1.38 3.20 -0.58 -3.32 116.97 116.65 2crp h TYR 140 Ca 0.53 0.00 0.39 0.00 3.14 0.00 0.00 58.73 62.79 2crp h TYR 140 Cb 1.60 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 39.69 2crp h TYR 140 CO -0.00 0.90 0.51 1.96 -1.64 0.00 0.00 178.16 179.88 2crp h GLN 141 N -1.00 0.06 -0.22 1.82 1.08 -0.03 1.81 115.11 118.64 2crp h GLN 141 Ca -0.18 -0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.91 2crp h GLN 141 Cb 0.94 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 2crp h GLN 141 CO -0.11 0.04 -0.34 1.05 -0.95 0.00 0.00 178.83 178.52 2crp h GLU 142 N 0.06 0.45 -0.11 1.46 -0.00 -1.20 0.72 114.58 115.95 2crp h GLU 142 Ca 0.81 -0.20 0.03 0.00 -0.00 0.00 0.00 59.36 60.01 2crp h GLU 142 Cb 2.07 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 30.80 2crp h GLU 142 CO -0.75 0.73 0.40 -0.07 -0.00 0.00 0.00 179.01 179.32 2crp h LEU 143 N 0.39 0.00 0.00 3.06 3.38 0.27 0.92 115.31 123.33 2crp h LEU 143 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2crp h LEU 143 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2crp h LEU 143 CO 0.06 0.00 -0.93 2.30 0.09 0.00 0.00 178.44 179.96 2crp n ILE 144 N -3.09 0.00 0.51 1.22 -0.00 -1.02 -4.67 119.36 112.31 2crp n ILE 144 Ca 0.01 0.00 0.13 0.00 -0.00 0.00 0.00 62.75 62.89 2crp n ILE 144 Cb 0.48 -0.66 0.40 0.00 -0.00 0.00 0.00 39.64 39.85 2crp n ILE 144 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2crp h SER 145 N 0.00 0.00 0.00 7.28 0.02 0.75 -3.44 113.55 118.16 2crp h SER 145 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2crp h SER 145 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2crp h SER 145 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2crp n GLY 146 N 1.01 -1.36 3.55 -3.77 0.00 0.32 -4.87 105.19 100.08 2crp n GLY 146 Ca 0.05 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 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 2.59 -0.19 1.61 0.04 -1.26 -4.88 135.00 132.91 2crp s PRO 147 Ca 0.00 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 60.95 2crp s PRO 147 Cb 0.00 -4.69 0.14 0.00 0.04 0.00 0.00 34.50 29.98 2crp s PRO 147 CO 0.00 -3.03 1.05 0.45 0.04 0.00 0.00 177.00 175.51 2crp s SER 148 N 8.09 -0.33 -0.12 6.66 0.15 -1.26 -5.07 113.70 121.82 2crp s SER 148 Ca 0.69 0.38 -0.17 0.00 0.70 0.00 0.00 55.95 57.54 2crp s SER 148 Cb -0.10 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 2crp s SER 148 CO 0.11 -0.29 0.43 -0.44 1.20 0.00 0.00 173.24 174.26 2crp s SER 149 N -1.00 6.63 0.00 5.45 0.01 -1.26 -5.01 113.70 118.53 2crp s SER 149 Ca 0.00 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.01 2crp s SER 149 Cb -0.01 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2crp s SER 149 CO -0.00 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29