#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 3.29 0.53 1.61 1.04 -1.26 -5.14 113.70 113.77 2crp s SER 2 Ca 0.00 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 55.74 2crp s SER 2 Cb 0.00 -0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 2crp s SER 2 CO 0.00 0.23 0.85 -0.94 0.98 0.00 0.00 173.24 174.36 2crp s SER 3 N -1.56 6.03 0.00 7.02 1.04 -1.26 -5.01 113.70 119.97 2crp s SER 3 Ca 0.13 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2crp s SER 3 Cb -0.10 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2crp s SER 3 CO 0.04 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2crp n GLY 4 N -2.42 2.41 3.12 7.32 0.00 -1.26 -5.18 105.19 109.17 2crp n GLY 4 Ca 0.02 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 2crp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crp s SER 5 N 0.00 0.76 0.24 1.61 0.15 -1.26 -5.17 113.70 110.03 2crp s SER 5 Ca 0.00 -0.96 0.10 0.00 0.70 0.00 0.00 55.95 55.79 2crp s SER 5 Cb 0.00 0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.40 2crp s SER 5 CO 0.00 -0.51 -0.17 -0.44 1.20 0.00 0.00 173.24 173.32 2crp s SER 6 N -2.83 3.05 0.00 5.45 0.01 -1.26 -5.09 113.70 113.02 2crp s SER 6 Ca 0.07 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2crp s SER 6 Cb 0.05 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2crp s SER 6 CO -0.07 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2crp n GLY 7 N -0.50 3.47 2.38 3.44 0.00 -1.26 -5.14 105.19 107.58 2crp n GLY 7 Ca -0.07 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 2crp n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crp n PRO 8 N 0.00 -2.47 -4.38 1.61 -0.04 -1.26 -5.08 135.00 123.37 2crp n PRO 8 Ca 0.00 -1.19 -0.21 0.00 -0.04 0.00 0.00 63.50 62.07 2crp n PRO 8 Cb 0.00 -1.11 -0.13 0.00 -0.04 0.00 0.00 33.50 32.21 2crp n PRO 8 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2crp s GLU 9 N -4.68 0.99 -0.08 0.54 2.02 -1.26 -5.15 118.70 111.08 2crp s GLU 9 Ca 0.48 -0.79 -0.00 0.00 0.02 0.00 0.00 54.97 54.68 2crp s GLU 9 Cb -0.05 -1.01 -0.03 0.00 0.10 0.00 0.00 34.13 33.14 2crp s GLU 9 CO 0.37 0.25 -0.05 0.15 0.02 0.00 0.00 175.26 176.00 2crp s LYS 10 N -1.18 2.84 -0.17 1.61 -0.14 -1.26 -5.08 119.74 116.37 2crp s LYS 10 Ca 0.02 -0.51 -0.29 0.00 -1.36 0.00 0.00 55.97 53.83 2crp s LYS 10 Cb -0.08 -2.66 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 2crp s LYS 10 CO 0.01 0.66 1.58 -1.25 -0.76 0.00 0.00 175.35 175.60 2crp s PRO 11 N -0.80 3.94 0.41 -1.68 0.04 -1.26 -4.99 135.00 130.66 2crp s PRO 11 Ca 0.12 1.79 0.04 0.00 0.04 0.00 0.00 61.00 62.99 2crp s PRO 11 Cb -0.11 -3.99 -0.02 0.00 0.04 0.00 0.00 34.50 30.42 2crp s PRO 11 CO 0.02 -1.11 0.15 0.00 0.04 0.00 0.00 177.00 176.09 2crp s ALA 12 N 4.70 2.89 -0.28 8.56 0.00 -1.26 -5.17 121.76 131.19 2crp s ALA 12 Ca 0.70 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 2crp s ALA 12 Cb -0.26 0.82 0.12 0.00 0.00 0.00 0.00 23.12 23.79 2crp s ALA 12 CO 0.27 -0.37 0.93 -1.59 0.00 0.00 0.00 175.76 175.01 2crp s LYS 13 N -3.67 0.51 0.59 0.00 -2.85 -1.26 -5.16 119.74 107.89 2crp s LYS 13 Ca 0.24 0.75 -0.07 0.00 -1.00 0.00 0.00 55.97 55.90 2crp s LYS 13 Cb 0.02 0.17 0.13 0.00 -2.06 0.00 0.00 37.83 36.09 2crp s LYS 13 CO 0.16 -0.09 0.80 0.25 0.10 0.00 0.00 175.35 176.57 2crp n THR 14 N 3.22 0.00 0.00 3.79 -2.24 -1.26 -5.04 114.28 112.75 2crp n THR 14 Ca -0.16 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 2crp n THR 14 Cb 0.57 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 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 -2.62 1.55 -3.82 -0.78 0.00 -1.26 -5.10 117.38 105.34 2crp n GLN 15 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 57.02 2crp n GLN 15 Cb 0.39 -0.91 0.02 0.00 0.00 0.00 0.00 30.24 29.74 2crp n GLN 15 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2crp s LYS 16 N -1.67 2.18 -0.10 2.61 1.02 -1.26 -5.13 119.74 117.39 2crp s LYS 16 Ca 0.00 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 54.62 2crp s LYS 16 Cb 0.00 0.62 0.01 0.00 -0.52 0.00 0.00 37.83 37.94 2crp s LYS 16 CO 0.00 -1.02 -0.16 0.99 -0.92 0.00 0.00 175.35 174.24 2crp s THR 17 N -2.52 1.53 0.65 2.17 2.01 -1.26 -5.03 115.64 113.19 2crp s THR 17 Ca 0.15 -0.68 -0.14 0.00 0.31 0.00 0.00 61.69 61.34 2crp s THR 17 Cb -0.05 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 2crp s THR 17 CO 0.11 0.44 1.07 -0.44 -0.69 0.00 0.00 174.62 175.12 2crp s SER 18 N 0.82 5.43 0.07 3.53 0.01 -1.26 -4.85 113.70 117.44 2crp s SER 18 Ca -0.10 1.81 -0.33 0.00 1.31 0.00 0.00 55.95 58.64 2crp s SER 18 Cb -0.16 -2.53 -0.19 0.00 0.21 0.00 0.00 66.02 63.36 2crp s SER 18 CO 0.01 -1.41 1.60 0.25 0.41 0.00 0.00 173.24 174.10 2crp h LEU 19 N -0.07 -0.78 -1.16 2.44 7.12 -1.89 -0.81 115.31 120.16 2crp h LEU 19 Ca -0.46 0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.57 2crp h LEU 19 Cb 1.22 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 2crp h LEU 19 CO 0.56 -0.54 0.20 0.44 -0.13 0.00 0.00 178.44 178.97 2crp h ASP 20 N -0.94 0.00 0.00 1.25 5.19 -1.94 -2.11 116.42 117.87 2crp h ASP 20 Ca -0.09 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.26 2crp h ASP 20 Cb 0.71 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.21 2crp h ASP 20 CO 0.15 0.00 -0.58 -0.08 -3.12 0.00 0.00 179.24 175.61 2crp h GLU 21 N 0.00 0.00 -1.68 3.56 4.81 -1.68 -3.30 114.58 116.29 2crp h GLU 21 Ca 0.00 0.00 0.50 0.00 -0.13 0.00 0.00 59.36 59.73 2crp h GLU 21 Cb 0.41 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.70 2crp h GLU 21 CO 0.00 0.32 1.18 0.00 -0.73 0.00 0.00 179.01 179.79 2crp h ALA 22 N -0.80 3.46 -0.02 2.92 0.00 -0.48 1.48 119.26 125.82 2crp h ALA 22 Ca -0.09 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 2crp h ALA 22 Cb 0.66 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2crp h ALA 22 CO -0.05 -2.01 -0.95 -0.07 0.00 0.00 0.00 179.25 176.17 2crp h LEU 23 N 0.02 0.71 -1.89 0.00 3.38 -1.68 -3.10 115.31 112.75 2crp h LEU 23 Ca 0.84 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2crp h LEU 23 Cb 3.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 43.75 2crp h LEU 23 CO -0.11 1.35 0.22 1.56 0.09 0.00 0.00 178.44 181.54 2crp h GLN 24 N 0.32 0.00 0.00 1.13 4.20 0.20 0.29 115.11 121.26 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 1.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.36 2crp h GLN 24 CO 0.18 0.00 -0.18 -1.49 -0.67 0.00 0.00 178.83 176.66 2crp h TRP 25 N 0.00 0.00 -0.02 2.96 6.55 -1.45 -3.17 115.95 120.82 2crp h TRP 25 Ca 0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 2crp h TRP 25 Cb 0.44 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.74 2crp h TRP 25 CO 0.00 0.18 -0.03 0.00 -1.05 0.00 0.00 178.44 177.54 2crp h ARG 26 N 0.00 0.05 -0.31 0.49 3.08 -0.60 -3.32 114.38 113.78 2crp h ARG 26 Ca -0.00 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.07 2crp h ARG 26 Cb 0.71 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.68 2crp h ARG 26 CO 0.02 0.61 -0.45 -0.44 -1.07 0.00 0.00 179.97 178.65 2crp h ASP 27 N -0.50 -1.46 -3.64 7.04 3.32 -1.65 -3.41 116.42 116.12 2crp h ASP 27 Ca 0.00 0.21 -0.38 0.00 0.02 0.00 0.00 57.03 56.88 2crp h ASP 27 Cb 0.61 0.61 -0.32 0.00 0.22 0.00 0.00 39.33 40.46 2crp h ASP 27 CO 0.01 -0.40 -0.77 -0.44 -1.72 0.00 0.00 179.24 175.92 2crp s SER 28 N -4.99 0.82 0.20 6.45 0.01 -1.23 -5.04 113.70 109.92 2crp s SER 28 Ca -0.15 -0.12 -0.11 0.00 1.31 0.00 0.00 55.95 56.89 2crp s SER 28 Cb 0.10 -0.30 0.26 0.00 0.21 0.00 0.00 66.02 66.30 2crp s SER 28 CO 0.64 -0.01 1.71 0.25 0.41 0.00 0.00 173.24 176.25 2crp h LEU 29 N 6.74 0.03 -0.47 2.44 5.85 -1.81 -2.81 115.31 125.29 2crp h LEU 29 Ca -0.36 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.51 2crp h LEU 29 Cb 1.16 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.27 2crp h LEU 29 CO 0.49 0.03 -0.28 -0.67 -0.34 0.00 0.00 178.44 177.67 2crp n ASP 30 N -5.10 -0.50 -0.29 1.25 2.03 -1.26 0.12 116.55 112.80 2crp n ASP 30 Ca 0.08 1.23 0.27 0.00 0.52 0.00 0.00 54.79 56.89 2crp n ASP 30 Cb 0.29 -0.30 0.48 0.00 -0.72 0.00 0.00 41.12 40.87 2crp n ASP 30 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2crp n LYS 31 N -4.08 -0.04 0.22 -0.67 4.76 -1.06 0.01 118.16 117.30 2crp n LYS 31 Ca 0.01 1.04 -0.09 0.00 -2.87 0.00 0.00 58.31 56.40 2crp n LYS 31 Cb 0.12 -1.93 -0.04 0.00 -1.84 0.00 0.00 35.03 31.34 2crp n LYS 31 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2crp h LEU 32 N 0.00 -0.52 -0.20 -0.35 5.85 0.84 -2.96 115.31 117.97 2crp h LEU 32 Ca 0.67 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.46 2crp h LEU 32 Cb 1.90 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 43.00 2crp h LEU 32 CO -0.52 -0.17 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.10 2crp h LEU 33 N -1.01 -0.76 -1.18 2.25 3.38 0.05 -0.52 115.31 117.51 2crp h LEU 33 Ca -0.06 0.13 0.31 0.00 0.09 0.00 0.00 57.88 58.35 2crp h LEU 33 Cb 0.47 0.35 -0.12 0.00 0.09 0.00 0.00 40.66 41.45 2crp h LEU 33 CO 0.10 -0.28 0.65 0.06 0.09 0.00 0.00 178.44 179.06 2crp h GLN 34 N -0.27 0.35 -5.81 1.13 3.07 -0.74 -3.37 115.11 109.47 2crp h GLN 34 Ca 0.12 -0.02 -0.59 0.00 0.09 0.00 0.00 58.65 58.25 2crp h GLN 34 Cb 0.46 -0.08 -0.08 0.00 0.08 0.00 0.00 27.48 27.86 2crp h GLN 34 CO -0.36 0.23 0.37 -0.80 0.09 0.00 0.00 178.83 178.36 2crp s ASN 35 N -5.00 6.84 0.15 0.06 -0.87 -0.22 -4.96 114.94 110.94 2crp s ASN 35 Ca -0.09 1.04 -0.20 0.00 -1.57 0.00 0.00 52.86 52.04 2crp s ASN 35 Cb 0.28 -2.42 0.04 0.00 -0.02 0.00 0.00 41.25 39.13 2crp s ASN 35 CO 0.80 -0.43 1.66 -0.55 -2.57 0.00 0.00 177.10 176.01 2crp h ASN 36 N 7.53 -0.48 0.09 -1.22 -1.07 -1.79 0.17 115.58 118.81 2crp h ASN 36 Ca -0.27 0.11 0.01 0.00 0.07 0.00 0.00 56.30 56.23 2crp h ASN 36 Cb 1.12 0.27 -0.05 0.00 -2.07 0.00 0.00 38.32 37.59 2crp h ASN 36 CO 0.84 -0.18 -0.50 0.22 0.07 0.00 0.00 177.43 177.88 2crp h TYR 37 N -0.11 -1.45 -0.77 4.14 3.20 -1.92 0.24 116.97 120.30 2crp h TYR 37 Ca 0.15 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.13 2crp h TYR 37 Cb 0.33 0.62 -0.06 0.00 1.54 0.00 0.00 36.73 39.17 2crp h TYR 37 CO -0.34 -0.56 0.45 0.78 -1.64 0.00 0.00 178.16 176.86 2crp h GLY 38 N -0.70 1.15 0.67 1.82 0.00 -1.68 -2.74 103.07 101.59 2crp h GLY 38 Ca -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2crp h GLY 38 CO -0.28 0.20 -0.33 -2.00 0.00 0.00 0.00 176.54 174.12 2crp h LEU 39 N 0.82 -0.80 -0.94 3.11 5.85 -0.05 0.23 115.31 123.54 2crp h LEU 39 Ca 0.34 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.26 2crp h LEU 39 Cb 0.20 0.21 -0.16 0.00 0.37 0.00 0.00 40.66 41.28 2crp h LEU 39 CO -0.19 -0.56 -0.30 0.00 -0.34 0.00 0.00 178.44 177.06 2crp n ALA 40 N -2.47 0.06 -0.13 1.25 0.00 0.79 0.53 120.51 120.54 2crp n ALA 40 Ca -0.11 0.98 -0.11 0.00 0.00 0.00 0.00 53.44 54.20 2crp n ALA 40 Cb 0.36 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 2crp n ALA 40 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2crp h SER 41 N 0.00 0.75 -1.00 0.00 0.02 -1.40 -2.94 113.55 108.98 2crp h SER 41 Ca 0.39 -0.35 0.14 0.00 -0.84 0.00 0.00 61.79 61.13 2crp h SER 41 Cb 0.62 -0.20 -0.09 0.00 0.14 0.00 0.00 62.40 62.87 2crp h SER 41 CO -0.95 0.92 0.62 0.15 -1.14 0.00 0.00 176.83 176.44 2crp h PHE 42 N 0.56 1.10 0.54 3.45 3.57 0.36 -2.43 116.94 124.08 2crp h PHE 42 Ca 0.10 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2crp h PHE 42 Cb 0.59 -0.35 0.01 0.00 2.79 0.00 0.00 35.95 38.98 2crp h PHE 42 CO 0.05 0.38 -0.26 0.87 -2.23 0.00 0.00 178.31 177.12 2crp h LYS 43 N 0.91 -0.69 -0.98 1.11 1.57 -0.71 -3.01 116.57 114.76 2crp h LYS 43 Ca 0.52 0.05 0.35 0.00 -1.87 0.00 0.00 60.65 59.69 2crp h LYS 43 Cb 0.62 0.16 -0.18 0.00 0.08 0.00 0.00 32.23 32.91 2crp h LYS 43 CO -0.29 -0.46 0.30 0.45 -0.57 0.00 0.00 179.45 178.87 2crp n SER 44 N -4.30 0.14 0.16 0.86 2.88 -1.08 0.08 113.62 112.37 2crp n SER 44 Ca -0.09 1.65 -0.14 0.00 -1.33 0.00 0.00 58.87 58.95 2crp n SER 44 Cb 0.28 -0.71 -0.07 0.00 -0.75 0.00 0.00 64.21 62.96 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 -0.94 -0.44 0.66 3.57 -1.37 -1.92 116.94 116.51 2crp h PHE 45 Ca 0.73 0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.32 2crp h PHE 45 Cb 1.77 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 40.83 2crp h PHE 45 CO -0.23 -0.47 0.06 -0.07 -2.23 0.00 0.00 178.31 175.37 2crp h LEU 46 N -0.64 -0.06 -0.60 0.59 3.38 -0.22 -1.82 115.31 115.95 2crp h LEU 46 Ca 0.01 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2crp h LEU 46 Cb 0.62 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 2crp h LEU 46 CO -0.14 0.01 0.02 0.11 0.09 0.00 0.00 178.44 178.52 2crp h LYS 47 N 0.18 0.13 0.00 1.13 1.57 -0.99 0.97 116.57 119.57 2crp h LYS 47 Ca 0.22 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2crp h LYS 47 Cb 0.29 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2crp h LYS 47 CO -0.31 0.09 0.00 0.43 -0.57 0.00 0.00 179.45 179.09 2crp n SER 48 N -5.25 0.31 -0.37 0.86 7.64 -0.73 -1.62 113.62 114.45 2crp n SER 48 Ca 0.08 0.59 0.05 0.00 1.01 0.00 0.00 58.87 60.60 2crp n SER 48 Cb 0.34 -0.65 0.04 0.00 -1.01 0.00 0.00 64.21 62.93 2crp n SER 48 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2crp n GLU 49 N -1.86 0.39 -2.86 1.43 -0.58 0.25 -4.98 120.64 112.43 2crp n GLU 49 Ca 0.02 -1.09 -0.20 0.00 -0.42 0.00 0.00 57.16 55.47 2crp n GLU 49 Cb 0.16 -1.18 0.03 0.00 -0.57 0.00 0.00 31.44 29.88 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 0.51 -1.66 -2.27 -0.32 3.01 0.27 -4.89 117.46 112.10 2crp n PHE 50 Ca 0.06 0.41 -0.02 0.00 1.01 0.00 0.00 57.45 58.90 2crp n PHE 50 Cb 0.24 -4.13 0.07 0.00 -0.01 0.00 0.00 39.48 35.65 2crp n PHE 50 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2crp n SER 51 N -2.05 2.06 0.00 4.37 7.64 -0.24 -4.78 113.62 120.62 2crp n SER 51 Ca -0.12 -2.81 0.14 0.00 1.01 0.00 0.00 58.87 57.09 2crp n SER 51 Cb 0.62 -0.41 0.60 0.00 -1.01 0.00 0.00 64.21 64.01 2crp n SER 51 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2crp n GLU 52 N -0.40 0.00 -0.04 1.43 2.13 -1.25 -3.47 120.64 119.04 2crp n GLU 52 Ca 0.17 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.94 2crp n GLU 52 Cb 0.92 -1.50 0.16 0.00 0.27 0.00 0.00 31.44 31.28 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 0.64 -0.37 5.31 9.09 -1.86 -2.33 114.58 125.06 2crp h GLU 53 Ca 0.00 -0.23 0.05 0.00 0.05 0.00 0.00 59.36 59.23 2crp h GLU 53 Cb 0.50 -0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 27.52 2crp h GLU 53 CO 0.00 0.79 0.11 -0.91 0.05 0.00 0.00 179.01 179.05 2crp h ASN 54 N 0.57 0.10 -0.40 3.06 2.35 -1.85 -2.30 115.58 117.11 2crp h ASN 54 Ca 0.09 0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 2crp h ASN 54 Cb 0.64 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 2crp h ASN 54 CO 0.05 0.09 -0.14 0.25 -1.65 0.00 0.00 177.43 176.03 2crp h LEU 55 N 0.25 0.82 -0.48 1.61 6.46 -1.74 -3.18 115.31 119.05 2crp h LEU 55 Ca 0.17 -0.38 0.10 0.00 -0.12 0.00 0.00 57.88 57.65 2crp h LEU 55 Cb 0.17 -0.22 -0.10 0.00 -0.73 0.00 0.00 40.66 39.77 2crp h LEU 55 CO -0.19 1.02 -0.23 -0.33 -0.62 0.00 0.00 178.44 178.08 2crp h GLU 56 N 0.62 -0.12 -0.72 1.25 5.08 -0.97 0.31 114.58 120.02 2crp h GLU 56 Ca 0.10 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.62 2crp h GLU 56 Cb 0.68 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 2crp h GLU 56 CO 0.05 -0.08 0.49 0.35 -1.00 0.00 0.00 179.01 178.81 2crp h PHE 57 N -0.13 0.39 0.32 4.33 3.57 -1.41 -0.96 116.94 123.06 2crp h PHE 57 Ca 0.22 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2crp h PHE 57 Cb 0.48 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.10 2crp h PHE 57 CO -0.50 0.15 -0.16 2.35 -2.23 0.00 0.00 178.31 177.92 2crp h TRP 58 N 0.33 -0.40 -0.73 0.41 7.01 -0.50 -2.73 115.95 119.34 2crp h TRP 58 Ca 0.35 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.50 2crp h TRP 58 Cb 0.90 0.13 -0.11 0.00 -2.10 0.00 0.00 29.16 27.98 2crp h TRP 58 CO -0.00 -0.16 0.15 0.82 -2.79 0.00 0.00 178.44 176.46 2crp h ILE 59 N -1.07 0.49 -0.46 2.65 2.04 -0.66 -0.13 117.51 120.37 2crp h ILE 59 Ca -0.04 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.76 2crp h ILE 59 Cb 0.42 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2crp h ILE 59 CO 0.07 0.04 0.27 0.00 0.00 0.00 0.00 178.15 178.53 2crp h ALA 60 N 1.62 0.59 -0.13 1.87 0.00 -1.27 -2.69 119.26 119.25 2crp h ALA 60 Ca 0.41 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.34 2crp h ALA 60 Cb 0.72 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2crp h ALA 60 CO -0.53 -0.05 -0.39 0.00 0.00 0.00 0.00 179.25 178.28 2crp h GLU 62 N -0.40 0.48 0.00 0.00 4.39 -1.42 0.88 114.58 118.51 2crp h GLU 62 Ca 0.03 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2crp h GLU 62 Cb 0.48 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2crp h GLU 62 CO -0.33 0.32 -0.10 0.22 -1.16 0.00 0.00 179.01 177.96 2crp h ASP 63 N 0.49 0.00 0.94 1.42 1.82 -0.81 -2.11 116.42 118.18 2crp h ASP 63 Ca 0.57 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 57.03 2crp h ASP 63 Cb 1.04 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.02 2crp h ASP 63 CO -0.49 0.10 -1.13 0.22 -1.61 0.00 0.00 179.24 176.33 2crp h TYR 64 N 0.00 0.00 0.00 0.28 5.03 0.27 -3.31 116.97 119.24 2crp h TYR 64 Ca -0.00 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 2crp h TYR 64 Cb 0.33 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 2crp h TYR 64 CO 0.00 0.70 -0.45 0.87 -1.32 0.00 0.00 178.16 177.96 2crp h LYS 65 N 0.00 0.00 -0.15 1.82 1.79 -0.45 -2.39 116.57 117.18 2crp h LYS 65 Ca -0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2crp h LYS 65 Cb 1.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 2crp h LYS 65 CO 0.07 0.45 0.00 0.36 -1.08 0.00 0.00 179.45 179.25 2crp n LYS 66 N -3.88 1.28 -3.24 3.15 2.85 -1.12 -4.81 118.16 112.39 2crp n LYS 66 Ca -0.01 -0.41 -0.39 0.00 -1.05 0.00 0.00 58.31 56.45 2crp n LYS 66 Cb 0.49 -1.11 -0.06 0.00 -0.65 0.00 0.00 35.03 33.70 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 -1.82 5.13 -0.12 0.58 1.01 -0.90 -4.94 121.20 120.13 2crp s ILE 67 Ca 0.08 1.04 0.09 0.00 0.00 0.00 0.00 60.65 61.85 2crp s ILE 67 Cb 0.04 -3.87 -0.14 0.00 0.01 0.00 0.00 42.46 38.51 2crp s ILE 67 CO 0.05 0.25 0.01 2.29 0.00 0.00 0.00 174.94 177.54 2crp n LYS 68 N 4.16 1.75 -1.58 2.79 -0.00 -1.26 -4.82 118.16 119.20 2crp n LYS 68 Ca -0.05 0.01 -0.49 0.00 -0.00 0.00 0.00 58.31 57.78 2crp n LYS 68 Cb 0.51 -1.30 -0.04 0.00 -0.00 0.00 0.00 35.03 34.19 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 -2.53 1.43 0.27 -5.58 7.64 -1.26 -4.85 113.62 108.75 2crp n SER 69 Ca -0.21 1.14 0.17 0.00 1.01 0.00 0.00 58.87 60.98 2crp n SER 69 Cb 0.87 -1.22 0.69 0.00 -1.01 0.00 0.00 64.21 63.53 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 3.55 0.00 0.08 1.43 0.13 -2.00 -1.48 132.00 133.72 2crp h PRO 70 Ca -0.44 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.33 2crp h PRO 70 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 2crp h PRO 70 CO 0.71 0.03 -2.07 0.00 -0.23 0.00 0.00 178.00 176.44 2crp n ALA 71 N -2.11 1.02 -0.00 -0.56 0.00 -1.26 -4.14 120.51 113.46 2crp n ALA 71 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 2crp n ALA 71 Cb 0.31 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.09 0.00 -1.15 0.00 1.63 -1.93 0.33 116.57 115.37 2crp h LYS 72 Ca -0.47 -0.00 0.32 0.00 -0.85 0.00 0.00 60.65 59.65 2crp h LYS 72 Cb 1.92 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.47 2crp h LYS 72 CO -0.00 0.39 0.78 0.52 -3.45 0.00 0.00 179.45 177.68 2crp h MET 73 N -0.38 0.17 0.00 1.90 2.86 -1.48 0.53 114.93 118.53 2crp h MET 73 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2crp h MET 73 Cb 0.38 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2crp h MET 73 CO 0.00 0.11 -0.51 0.00 1.06 0.00 0.00 176.91 177.57 2crp n ALA 74 N -2.62 0.45 0.15 6.32 0.00 -1.13 -3.84 120.51 119.85 2crp n ALA 74 Ca 0.27 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 2crp n ALA 74 Cb 1.12 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 20.49 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 -0.95 -0.75 -1.01 0.00 5.08 -0.05 -1.40 114.58 115.49 2crp h GLU 75 Ca 0.00 0.05 0.30 0.00 -1.00 0.00 0.00 59.36 58.71 2crp h GLU 75 Cb 0.51 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 29.79 2crp h GLU 75 CO 0.00 -0.50 0.59 -0.22 -1.00 0.00 0.00 179.01 177.87 2crp h LYS 76 N -0.78 0.40 -0.20 2.33 1.63 -0.12 0.10 116.57 119.93 2crp h LYS 76 Ca -0.01 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.82 2crp h LYS 76 Cb 0.77 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 32.25 2crp h LYS 76 CO -0.23 0.27 -0.12 0.00 -3.45 0.00 0.00 179.45 175.91 2crp h ALA 77 N 1.80 0.04 -0.04 5.00 0.00 -1.35 -0.76 119.26 123.94 2crp h ALA 77 Ca 0.70 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.67 2crp h ALA 77 Cb 1.53 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 2crp h ALA 77 CO -0.55 -0.55 -0.07 1.57 0.00 0.00 0.00 179.25 179.65 2crp h LYS 78 N -0.11 0.06 -0.08 0.00 2.10 -0.60 -2.53 116.57 115.41 2crp h LYS 78 Ca 0.12 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2crp h LYS 78 Cb 0.29 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.60 2crp h LYS 78 CO -0.28 0.14 0.03 1.96 -2.00 0.00 0.00 179.45 179.31 2crp h GLN 79 N 0.06 0.11 0.00 0.07 4.20 -0.56 0.27 115.11 119.27 2crp h GLN 79 Ca 0.01 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2crp h GLN 79 Cb 0.17 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2crp h GLN 79 CO 0.01 0.21 -0.21 0.82 -0.67 0.00 0.00 178.83 178.99 2crp h ILE 80 N -0.01 1.09 0.08 2.54 2.04 -1.06 -2.54 117.51 119.66 2crp h ILE 80 Ca 0.03 -0.74 -0.18 0.00 1.00 0.00 0.00 64.86 64.97 2crp h ILE 80 Cb 0.14 1.40 0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2crp h ILE 80 CO -0.00 0.21 -0.77 0.22 0.00 0.00 0.00 178.15 177.80 2crp h TYR 81 N 0.00 0.62 0.00 1.37 5.03 -1.09 -0.33 116.97 122.56 2crp h TYR 81 Ca -0.00 -0.40 0.00 0.00 2.58 0.00 0.00 58.73 60.91 2crp h TYR 81 Cb 0.39 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.62 2crp h TYR 81 CO 0.00 1.26 0.00 0.39 -1.32 0.00 0.00 178.16 178.49 2crp n GLU 82 N -4.13 0.06 -0.08 1.82 -0.58 0.93 0.24 120.64 118.90 2crp n GLU 82 Ca -0.12 0.28 -0.16 0.00 -0.42 0.00 0.00 57.16 56.73 2crp n GLU 82 Cb 0.78 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 30.10 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 -1.41 0.38 -0.12 3.49 2.13 -0.98 -4.56 120.64 119.57 2crp n GLU 83 Ca 0.03 0.16 -0.22 0.00 0.66 0.00 0.00 57.16 57.80 2crp n GLU 83 Cb 0.10 -1.15 -0.07 0.00 0.27 0.00 0.00 31.44 30.59 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 -3.91 0.00 0.98 4.31 3.72 -0.14 -3.77 117.46 118.65 2crp n PHE 84 Ca -0.29 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.10 2crp n PHE 84 Cb 0.65 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 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 0.78 -4.09 4.37 2.08 0.34 -3.90 119.36 114.61 2crp n ILE 85 Ca -0.39 -0.01 -0.31 0.00 0.56 0.00 0.00 62.75 62.60 2crp n ILE 85 Cb 0.74 -0.88 -0.07 0.00 -0.75 0.00 0.00 39.64 38.68 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 -0.26 2.82 0.15 0.38 0.74 0.66 -4.63 119.66 119.53 2crp s GLN 86 Ca 0.00 -0.69 -0.34 0.00 0.05 0.00 0.00 55.36 54.38 2crp s GLN 86 Cb 0.00 -2.70 -0.14 0.00 1.10 0.00 0.00 33.01 31.28 2crp s GLN 86 CO 0.00 0.57 1.61 2.41 -0.55 0.00 0.00 175.29 179.33 2crp n THR 87 N 0.63 0.04 -3.65 -0.34 -1.04 -1.26 -1.53 114.28 107.12 2crp n THR 87 Ca -0.10 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.65 2crp n THR 87 Cb 0.52 -1.60 -0.04 0.00 -1.82 0.00 0.00 70.33 67.39 2crp n THR 87 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2crp n GLU 88 N 3.67 -2.03 -0.68 -2.82 1.02 -1.26 -4.85 120.64 113.68 2crp n GLU 88 Ca 0.17 0.17 -0.32 0.00 -0.02 0.00 0.00 57.16 57.17 2crp n GLU 88 Cb 0.29 -4.75 0.17 0.00 -0.02 0.00 0.00 31.44 27.13 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 -3.47 -2.63 0.04 0.62 0.00 -0.58 -4.92 120.51 109.58 2crp n ALA 89 Ca 0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 53.44 52.58 2crp n ALA 89 Cb 0.49 -1.86 0.15 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.97 0.40 0.00 0.00 0.13 -1.89 -3.22 132.00 125.46 2crp h PRO 90 Ca -0.49 -0.21 -0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2crp h PRO 90 Cb 1.31 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2crp h PRO 90 CO 0.39 0.77 -0.15 1.63 -0.23 0.00 0.00 178.00 180.41 2crp n LYS 91 N -4.00 1.27 -1.50 0.86 5.02 -1.25 -5.07 118.16 113.49 2crp n LYS 91 Ca -0.02 -2.66 -0.59 0.00 -2.02 0.00 0.00 58.31 53.02 2crp n LYS 91 Cb 0.52 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.99 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 -1.27 0.00 -2.42 1.97 4.07 -1.22 -4.73 120.64 117.04 2crp n GLU 92 Ca 0.16 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 57.01 2crp n GLU 92 Cb 0.66 -1.48 0.11 0.00 -0.06 0.00 0.00 31.44 30.67 2crp n GLU 92 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2crp s VAL 93 N 0.26 2.19 -0.67 6.31 -7.23 -1.25 -4.89 120.40 115.11 2crp s VAL 93 Ca 0.91 -0.45 -0.20 0.00 -1.81 0.00 0.00 61.98 60.44 2crp s VAL 93 Cb -1.27 -2.74 0.10 0.00 0.56 0.00 0.00 36.38 33.03 2crp s VAL 93 CO 0.58 0.00 0.84 0.21 -0.31 0.00 0.00 175.10 176.42 2crp s ASN 94 N -4.70 6.27 -0.16 4.85 2.47 -1.26 -4.98 114.94 117.43 2crp s ASN 94 Ca 0.66 -1.47 -0.04 0.00 0.42 0.00 0.00 52.86 52.43 2crp s ASN 94 Cb -0.06 -2.34 0.07 0.00 -1.45 0.00 0.00 41.25 37.46 2crp s ASN 94 CO 0.45 -1.17 0.14 0.27 -3.72 0.00 0.00 177.10 173.07 2crp s ILE 95 N 2.93 -0.19 0.48 -5.21 -4.36 -1.26 -4.72 121.20 108.87 2crp s ILE 95 Ca 0.18 -0.04 -0.22 0.00 -0.26 0.00 0.00 60.65 60.31 2crp s ILE 95 Cb -0.19 -0.54 -0.09 0.00 1.25 0.00 0.00 42.46 42.89 2crp s ILE 95 CO 0.04 -0.17 0.85 -0.67 0.24 0.00 0.00 174.94 175.23 2crp n ASP 96 N 5.30 0.46 -0.23 4.36 2.03 -1.26 -4.09 116.55 123.11 2crp n ASP 96 Ca -0.06 0.92 0.19 0.00 0.52 0.00 0.00 54.79 56.36 2crp n ASP 96 Cb 0.49 -1.29 0.35 0.00 -0.72 0.00 0.00 41.12 39.95 2crp n ASP 96 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2crp n HIS 97 N -0.99 0.71 -0.03 -0.67 8.25 -1.26 -0.22 115.22 121.01 2crp n HIS 97 Ca 0.11 0.84 -0.07 0.00 -0.26 0.00 0.00 57.72 58.34 2crp n HIS 97 Cb 0.42 -1.19 -0.05 0.00 1.12 0.00 0.00 29.99 30.29 2crp n HIS 97 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2crp h PHE 98 N 0.00 -0.77 0.52 4.41 3.04 -1.99 0.21 116.94 122.35 2crp h PHE 98 Ca 0.55 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.51 2crp h PHE 98 Cb 1.38 0.35 0.01 0.00 2.56 0.00 0.00 35.95 40.24 2crp h PHE 98 CO -0.11 -0.24 -0.25 1.15 -2.02 0.00 0.00 178.31 176.84 2crp h THR 99 N -0.23 0.40 -1.35 4.41 2.02 -0.89 -2.23 112.91 115.04 2crp h THR 99 Ca 0.02 -0.33 0.39 0.00 0.77 0.00 0.00 66.41 67.26 2crp h THR 99 Cb 0.30 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 2crp h THR 99 CO -0.24 0.05 1.12 0.50 0.37 0.00 0.00 175.52 177.32 2crp h LYS 100 N -0.93 0.00 0.19 6.66 3.11 -1.20 0.85 116.57 125.25 2crp h LYS 100 Ca -0.07 0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.48 2crp h LYS 100 Cb 0.61 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.87 2crp h LYS 100 CO 0.12 0.00 -1.36 0.22 -2.81 0.00 0.00 179.45 175.62 2crp h ASP 101 N 0.00 0.63 -0.18 4.20 1.82 -0.29 -3.33 116.42 119.28 2crp h ASP 101 Ca 0.64 -0.92 0.05 0.00 -0.39 0.00 0.00 57.03 56.41 2crp h ASP 101 Cb 2.87 -0.21 -0.07 0.00 0.68 0.00 0.00 39.33 42.61 2crp h ASP 101 CO -0.01 1.64 -0.36 0.40 -1.61 0.00 0.00 179.24 179.30 2crp h ILE 102 N -0.07 0.23 -0.71 2.25 1.08 0.13 -1.56 117.51 118.86 2crp h ILE 102 Ca -0.25 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.37 2crp h ILE 102 Cb 1.96 0.23 -0.12 0.00 -3.07 0.00 0.00 36.82 35.82 2crp h ILE 102 CO 0.19 0.00 0.06 0.74 -0.69 0.00 0.00 178.15 178.45 2crp h THR 103 N -0.40 0.44 -0.17 -0.27 2.02 -1.63 -0.36 112.91 112.54 2crp h THR 103 Ca 0.10 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.28 2crp h THR 103 Cb 0.57 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.18 2crp h THR 103 CO -0.40 0.03 -0.32 0.24 0.37 0.00 0.00 175.52 175.43 2crp h MET 104 N 0.15 -0.37 0.00 6.66 2.86 -1.40 0.20 114.93 123.04 2crp h MET 104 Ca 0.39 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.05 2crp h MET 104 Cb 0.66 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 2crp h MET 104 CO -0.58 -0.24 -0.02 0.87 1.06 0.00 0.00 176.91 178.00 2crp h LYS 105 N -0.38 0.00 -0.20 1.72 1.57 -0.85 -0.03 116.57 118.41 2crp h LYS 105 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 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 -0.38 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 178.61 2crp n ASN 106 N -3.23 1.77 -0.35 0.86 3.02 0.59 -3.67 115.26 114.25 2crp n ASN 106 Ca -0.02 -1.75 0.13 0.00 -0.03 0.00 0.00 54.58 52.91 2crp n ASN 106 Cb 0.16 -0.13 0.39 0.00 -0.61 0.00 0.00 39.78 39.60 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 0.40 1.28 -0.02 3.41 4.77 -0.03 -3.24 117.00 123.57 2crp n LEU 107 Ca 0.16 -0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 55.74 2crp n LEU 107 Cb 0.34 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2crp n LEU 107 CO 0.13 0.23 0.03 0.58 -1.33 0.00 0.00 177.39 177.02 2crp h VAL 108 N 1.73 0.00 -1.57 4.08 2.07 -1.72 -3.40 116.25 117.45 2crp h VAL 108 Ca 0.00 -0.85 -0.61 0.00 0.82 0.00 0.00 66.70 66.06 2crp h VAL 108 Cb 0.53 0.00 -0.40 0.00 -1.52 0.00 0.00 31.29 29.90 2crp h VAL 108 CO 0.00 0.00 -0.54 -0.62 0.02 0.00 0.00 177.57 176.43 2crp n GLU 109 N -4.55 3.36 -2.21 1.57 -0.58 -1.26 -5.06 120.64 111.91 2crp n GLU 109 Ca -0.01 -4.41 -0.42 0.00 -0.42 0.00 0.00 57.16 51.91 2crp n GLU 109 Cb 0.03 -2.25 -0.03 0.00 -0.57 0.00 0.00 31.44 28.61 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 -3.60 4.35 0.02 3.49 0.04 -1.20 -4.91 135.00 133.20 2crp s PRO 110 Ca 0.48 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2crp s PRO 110 Cb 0.40 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2crp s PRO 110 CO -0.21 -0.37 0.00 0.45 0.04 0.00 0.00 177.00 176.91 2crp n SER 111 N 3.57 0.06 0.00 6.66 2.88 -1.26 -4.44 113.62 121.09 2crp n SER 111 Ca 0.10 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 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 -2.63 0.60 -1.38 2.46 4.77 -1.26 -4.79 117.00 114.77 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 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 2crp n LEU 112 CO 0.00 -0.04 0.69 -1.20 -1.33 0.00 0.00 177.39 175.51 2crp n SER 113 N -2.20 3.54 -0.26 -1.43 7.64 -1.26 -4.32 113.62 115.33 2crp n SER 113 Ca 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 58.87 57.25 2crp n SER 113 Cb 0.17 -0.63 0.16 0.00 -1.01 0.00 0.00 64.21 62.91 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 1.72 0.98 -0.88 6.43 4.64 -1.87 -2.73 113.55 121.84 2crp h SER 114 Ca 0.10 -0.08 -0.61 0.00 -0.47 0.00 0.00 61.79 60.73 2crp h SER 114 Cb 1.51 -0.25 -0.37 0.00 -0.31 0.00 0.00 62.40 62.98 2crp h SER 114 CO 0.36 0.78 -0.08 0.49 -0.87 0.00 0.00 176.83 177.51 2crp n PHE 115 N -4.35 2.97 -0.03 4.77 3.72 -1.26 -4.70 117.46 118.57 2crp n PHE 115 Ca 0.08 -2.58 -0.15 0.00 -0.05 0.00 0.00 57.45 54.76 2crp n PHE 115 Cb 0.09 -0.82 -0.09 0.00 -0.94 0.00 0.00 39.48 37.72 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 2.12 0.36 0.43 4.37 3.58 -1.78 -2.33 116.42 123.18 2crp h ASP 116 Ca 0.47 -0.64 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 2crp h ASP 116 Cb 1.20 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2crp h ASP 116 CO 1.12 0.94 -0.21 -0.03 -2.88 0.00 0.00 179.24 178.18 2crp h MET 117 N -0.19 -0.56 -0.80 0.28 4.05 -1.84 -2.21 114.93 113.66 2crp h MET 117 Ca -0.02 0.04 0.19 0.00 -0.28 0.00 0.00 59.70 59.63 2crp h MET 117 Cb 0.92 0.13 -0.12 0.00 -0.80 0.00 0.00 31.60 31.73 2crp h MET 117 CO 0.06 -0.38 0.23 0.00 0.23 0.00 0.00 176.91 177.05 2crp h ALA 118 N -1.39 1.11 0.73 0.39 0.00 -1.88 0.54 119.26 118.76 2crp h ALA 118 Ca -0.06 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2crp h ALA 118 Cb 0.45 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2crp h ALA 118 CO 0.10 -0.36 -0.43 0.37 0.00 0.00 0.00 179.25 178.93 2crp h GLN 119 N 0.28 -1.04 0.00 0.00 4.15 -1.47 -0.21 115.11 116.82 2crp h GLN 119 Ca 0.47 0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.95 2crp h GLN 119 Cb 0.85 0.24 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 2crp h GLN 119 CO -0.55 -0.69 -0.06 1.57 -1.93 0.00 0.00 178.83 177.17 2crp h LYS 120 N -1.08 0.00 0.13 1.69 2.10 -0.68 0.14 116.57 118.87 2crp h LYS 120 Ca -0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 2crp h LYS 120 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 2crp h LYS 120 CO 0.11 0.06 -0.06 -0.09 -2.00 0.00 0.00 179.45 177.46 2crp h ARG 121 N 0.00 -0.17 -0.31 0.07 1.12 0.53 -2.26 114.38 113.36 2crp h ARG 121 Ca -0.00 0.01 -0.16 0.00 -1.11 0.00 0.00 59.98 58.72 2crp h ARG 121 Cb 0.10 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.10 2crp h ARG 121 CO 0.01 0.17 -0.43 0.82 -3.11 0.00 0.00 179.97 177.43 2crp h ILE 122 N -0.53 1.28 -0.71 1.20 1.08 -0.73 -3.06 117.51 116.05 2crp h ILE 122 Ca -0.02 -1.61 0.09 0.00 -0.39 0.00 0.00 64.86 62.94 2crp h ILE 122 Cb 0.42 1.58 -0.05 0.00 -3.07 0.00 0.00 36.82 35.70 2crp h ILE 122 CO 0.03 0.52 0.47 -0.74 -0.69 0.00 0.00 178.15 177.74 2crp h HIS 123 N 0.61 0.64 0.00 1.37 2.76 -0.76 0.19 115.15 119.95 2crp h HIS 123 Ca 0.03 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2crp h HIS 123 Cb 1.02 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.78 2crp h HIS 123 CO 0.07 0.31 -0.00 0.00 -1.30 0.00 0.00 177.93 177.00 2crp h ALA 124 N 1.64 1.00 0.11 5.26 0.00 -1.31 -2.65 119.26 123.32 2crp h ALA 124 Ca 0.32 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 2crp h ALA 124 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2crp h ALA 124 CO -0.11 0.00 -1.08 1.25 0.00 0.00 0.00 179.25 179.32 2crp h LEU 125 N 0.00 0.36 -0.00 0.00 5.85 -0.62 -2.84 115.31 118.07 2crp h LEU 125 Ca -0.00 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 57.84 2crp h LEU 125 Cb 0.68 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2crp h LEU 125 CO 0.00 1.48 0.00 0.23 -0.34 0.00 0.00 178.44 179.81 2crp n MET 126 N -4.08 0.00 -0.05 1.25 0.00 -0.52 0.12 117.12 113.84 2crp n MET 126 Ca -0.20 0.19 -0.04 0.00 0.00 0.00 0.00 57.70 57.65 2crp n MET 126 Cb 0.83 -1.50 -0.15 0.00 0.00 0.00 0.00 33.22 32.40 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 -1.51 0.67 0.00 0.03 0.28 -1.00 0.44 120.64 119.55 2crp n GLU 127 Ca 0.04 0.02 0.05 0.00 -0.16 0.00 0.00 57.16 57.11 2crp n GLU 127 Cb 0.21 -1.60 0.01 0.00 1.43 0.00 0.00 31.44 31.50 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 -2.69 1.64 0.00 3.44 -0.00 -1.06 -4.06 118.16 115.43 2crp n LYS 128 Ca -0.21 -0.73 -0.01 0.00 -0.00 0.00 0.00 58.31 57.36 2crp n LYS 128 Cb 0.96 -1.10 -0.00 0.00 -0.00 0.00 0.00 35.03 34.89 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 -0.03 0.51 -0.03 -5.58 2.03 0.32 -4.74 116.55 109.03 2crp n ASP 129 Ca 0.05 0.07 -0.07 0.00 0.52 0.00 0.00 54.79 55.36 2crp n ASP 129 Cb 0.22 -0.26 -0.06 0.00 -0.72 0.00 0.00 41.12 40.29 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 -0.11 -0.05 -0.77 1.67 0.02 -1.59 -3.00 113.55 109.72 2crp h SER 130 Ca 0.00 -0.41 0.12 0.00 -0.84 0.00 0.00 61.79 60.66 2crp h SER 130 Cb 0.11 0.01 -0.12 0.00 0.14 0.00 0.00 62.40 62.54 2crp h SER 130 CO 0.00 0.63 -0.29 -0.11 -1.14 0.00 0.00 176.83 175.91 2crp n LEU 131 N -4.76 -0.49 0.20 5.07 7.94 0.17 0.25 117.00 125.38 2crp n LEU 131 Ca -0.05 1.34 0.06 0.00 -1.11 0.00 0.00 56.01 56.24 2crp n LEU 131 Cb 0.22 -0.31 0.41 0.00 0.53 0.00 0.00 43.42 44.27 2crp n LEU 131 CO 0.17 -1.20 0.74 1.55 -1.11 0.00 0.00 177.39 177.53 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.71 -2.56 132.00 129.83 2crp h PRO 132 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 2crp h PRO 132 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2crp h PRO 132 CO -0.76 0.34 -0.60 0.54 -0.23 0.00 0.00 178.00 177.29 2crp n ARG 133 N -3.69 0.17 0.03 0.86 1.74 0.68 -3.94 116.66 112.50 2crp n ARG 133 Ca -0.01 0.04 -0.17 0.00 -0.77 0.00 0.00 57.85 56.94 2crp n ARG 133 Cb 0.44 -1.60 -0.14 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.38 -0.83 -1.55 3.57 0.30 -3.33 116.94 115.49 2crp h PHE 134 Ca 0.00 -0.28 -0.03 0.00 3.53 0.00 0.00 57.97 61.19 2crp h PHE 134 Cb 0.64 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 2crp h PHE 134 CO 0.00 1.44 0.39 -0.39 -2.23 0.00 0.00 178.31 177.51 2crp h VAL 135 N 0.06 1.26 0.00 1.41 -1.51 -1.59 -2.10 116.25 113.77 2crp h VAL 135 Ca -0.31 -0.74 -0.03 0.00 -1.23 0.00 0.00 66.70 64.39 2crp h VAL 135 Cb 2.02 0.21 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 2crp h VAL 135 CO 0.12 0.31 -0.17 0.03 -1.23 0.00 0.00 177.57 176.64 2crp h ARG 136 N 1.18 0.00 -6.76 5.19 3.08 -1.71 -3.33 114.38 112.03 2crp h ARG 136 Ca 0.28 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.82 2crp h ARG 136 Cb 0.13 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.20 2crp h ARG 136 CO -0.03 0.17 0.50 -1.54 -1.07 0.00 0.00 179.97 178.00 2crp s SER 137 N -6.67 7.19 0.25 7.04 1.04 -0.79 -4.84 113.70 116.93 2crp s SER 137 Ca -0.04 2.26 -0.11 0.00 0.48 0.00 0.00 55.95 58.55 2crp s SER 137 Cb 0.15 -2.62 0.36 0.00 0.10 0.00 0.00 66.02 64.01 2crp s SER 137 CO 0.65 -0.23 1.50 -0.62 0.98 0.00 0.00 173.24 175.53 2crp n GLU 138 N 1.64 -0.14 -0.18 4.02 1.02 -1.26 0.09 120.64 125.84 2crp n GLU 138 Ca 0.01 1.50 0.17 0.00 -0.02 0.00 0.00 57.16 58.82 2crp n GLU 138 Cb 0.45 -2.23 0.31 0.00 -0.02 0.00 0.00 31.44 29.94 2crp n GLU 138 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2crp n PHE 139 N -5.52 0.55 -0.09 -0.32 3.01 -1.26 0.80 117.46 114.63 2crp n PHE 139 Ca 0.13 0.55 -0.15 0.00 1.01 0.00 0.00 57.45 59.00 2crp n PHE 139 Cb 0.45 -0.99 -0.08 0.00 -0.01 0.00 0.00 39.48 38.84 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 -1.46 1.38 3.20 -0.50 -3.30 116.97 116.30 2crp h TYR 140 Ca 0.44 0.00 0.44 0.00 3.14 0.00 0.00 58.73 62.74 2crp h TYR 140 Cb 1.21 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.39 2crp h TYR 140 CO -0.00 0.93 1.01 1.96 -1.64 0.00 0.00 178.16 180.41 2crp h GLN 141 N -1.00 0.07 0.00 1.82 1.08 0.56 1.67 115.11 119.30 2crp h GLN 141 Ca -0.18 -0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.84 2crp h GLN 141 Cb 0.95 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.35 2crp h GLN 141 CO -0.11 0.04 -0.84 1.05 -0.95 0.00 0.00 178.83 178.03 2crp h GLU 142 N 0.07 0.12 -0.46 1.46 4.11 -0.99 0.57 114.58 119.45 2crp h GLU 142 Ca 0.77 -0.13 0.10 0.00 0.07 0.00 0.00 59.36 60.17 2crp h GLU 142 Cb 2.75 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 32.01 2crp h GLU 142 CO -0.17 0.89 0.32 -0.07 0.07 0.00 0.00 179.01 180.04 2crp h LEU 143 N 0.07 0.15 0.00 3.06 3.38 0.24 0.30 115.31 122.51 2crp h LEU 143 Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2crp h LEU 143 Cb 1.46 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 2crp h LEU 143 CO 0.12 0.09 -1.73 2.30 0.09 0.00 0.00 178.44 179.31 2crp n ILE 144 N -4.45 0.73 0.14 1.22 -0.00 -1.16 -4.56 119.36 111.29 2crp n ILE 144 Ca 0.07 -0.35 0.04 0.00 -0.00 0.00 0.00 62.75 62.52 2crp n ILE 144 Cb 0.41 -0.87 0.47 0.00 -0.00 0.00 0.00 39.64 39.65 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 0.19 -2.69 7.28 0.87 0.23 -3.44 113.55 116.00 2crp h SER 145 Ca -0.29 -0.02 -0.33 0.00 -1.23 0.00 0.00 61.79 59.92 2crp h SER 145 Cb 1.52 -0.05 0.19 0.00 -0.44 0.00 0.00 62.40 63.63 2crp h SER 145 CO -0.02 0.26 -0.17 0.61 -0.53 0.00 0.00 176.83 176.98 2crp n GLY 146 N -1.17 -3.50 3.59 5.77 0.00 0.09 -4.84 105.19 105.13 2crp n GLY 146 Ca -0.01 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 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 -4.64 3.29 0.38 1.61 0.04 -1.26 -4.93 135.00 129.48 2crp s PRO 147 Ca 0.59 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.73 2crp s PRO 147 Cb -0.11 -4.19 0.04 0.00 0.04 0.00 0.00 34.50 30.28 2crp s PRO 147 CO 0.50 -1.92 0.69 0.45 0.04 0.00 0.00 177.00 176.76 2crp s SER 148 N 5.90 0.40 0.19 6.66 0.15 -1.26 -5.09 113.70 120.66 2crp s SER 148 Ca 0.74 -1.33 0.11 0.00 0.70 0.00 0.00 55.95 56.16 2crp s SER 148 Cb -0.19 0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 2crp s SER 148 CO 0.32 -1.59 -0.19 -0.44 1.20 0.00 0.00 173.24 172.53 2crp s SER 149 N -3.15 3.71 0.00 5.45 0.01 -1.26 -5.06 113.70 113.39 2crp s SER 149 Ca 0.21 -0.78 0.25 0.00 1.31 0.00 0.00 55.95 56.94 2crp s SER 149 Cb -0.04 -0.41 0.40 0.00 0.21 0.00 0.00 66.02 66.19 2crp s SER 149 CO 0.15 0.11 1.38 0.61 0.41 0.00 0.00 173.24 175.91