#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 6.11 0.29 1.61 0.01 -1.26 -4.84 113.70 115.62 2crp s SER 2 Ca 0.00 -1.27 -0.03 0.00 1.31 0.00 0.00 55.95 55.96 2crp s SER 2 Cb 0.00 -2.57 0.60 0.00 0.21 0.00 0.00 66.02 64.26 2crp s SER 2 CO 0.00 -1.86 1.57 0.28 0.41 0.00 0.00 173.24 173.64 2crp h SER 3 N 10.15 -0.68 0.00 2.44 0.02 -2.09 -3.45 113.55 119.94 2crp h SER 3 Ca 0.18 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2crp h SER 3 Cb 1.00 0.54 0.00 0.00 0.14 0.00 0.00 62.40 64.08 2crp h SER 3 CO 1.37 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 177.33 2crp n GLY 4 N -1.55 1.96 2.69 -3.77 0.00 -1.26 -4.96 105.19 98.29 2crp n GLY 4 Ca 0.19 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 2crp n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2crp n SER 5 N 0.00 -4.16 -4.65 1.61 2.88 -1.26 -5.04 113.62 103.01 2crp n SER 5 Ca 0.00 -0.33 -0.24 0.00 -1.33 0.00 0.00 58.87 56.98 2crp n SER 5 Cb 0.00 -3.19 -0.07 0.00 -0.75 0.00 0.00 64.21 60.20 2crp n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2crp s SER 6 N -3.29 4.59 0.00 -3.46 0.01 -1.26 -5.07 113.70 105.21 2crp s SER 6 Ca 0.29 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2crp s SER 6 Cb -0.13 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.22 2crp s SER 6 CO 0.43 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.71 2crp n GLY 7 N -0.71 0.85 1.25 3.44 0.00 -1.26 -5.04 105.19 103.72 2crp n GLY 7 Ca -0.07 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.79 -1.44 1.61 -0.04 -1.26 -4.98 135.00 127.11 2crp n PRO 8 Ca 0.00 -0.62 -0.36 0.00 -0.04 0.00 0.00 63.50 62.48 2crp n PRO 8 Cb 0.00 -0.59 0.09 0.00 -0.04 0.00 0.00 33.50 32.96 2crp n PRO 8 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2crp n GLU 9 N -2.70 0.65 -3.81 0.54 0.00 -1.26 -4.99 120.64 109.06 2crp n GLU 9 Ca 0.05 0.28 -0.36 0.00 0.00 0.00 0.00 57.16 57.13 2crp n GLU 9 Cb 0.21 -2.34 -0.07 0.00 0.00 0.00 0.00 31.44 29.24 2crp n GLU 9 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2crp s LYS 10 N -3.43 3.79 0.51 5.31 2.20 -1.26 -5.10 119.74 121.75 2crp s LYS 10 Ca 0.76 -0.17 -0.09 0.00 -0.36 0.00 0.00 55.97 56.11 2crp s LYS 10 Cb -0.35 -3.29 0.13 0.00 -1.51 0.00 0.00 37.83 32.80 2crp s LYS 10 CO 0.47 0.55 0.45 -0.35 -0.36 0.00 0.00 175.35 176.12 2crp n PRO 11 N 2.70 -1.89 -3.88 4.03 -0.04 -1.26 -5.10 135.00 129.56 2crp n PRO 11 Ca -0.18 -0.72 -0.07 0.00 -0.04 0.00 0.00 63.50 62.48 2crp n PRO 11 Cb 0.54 -0.68 -0.03 0.00 -0.04 0.00 0.00 33.50 33.29 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 -3.01 -1.05 0.32 0.55 0.00 -1.26 -5.19 121.76 112.12 2crp s ALA 12 Ca 0.29 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.84 2crp s ALA 12 Cb -0.03 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 2crp s ALA 12 CO 0.23 -1.01 0.40 -1.59 0.00 0.00 0.00 175.76 173.78 2crp s LYS 13 N -3.92 1.80 0.42 0.00 -2.85 -1.26 -5.18 119.74 108.74 2crp s LYS 13 Ca 0.13 -1.79 0.07 0.00 -1.00 0.00 0.00 55.97 53.38 2crp s LYS 13 Cb -0.05 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 2crp s LYS 13 CO 0.07 -0.71 0.28 -0.08 0.10 0.00 0.00 175.35 175.01 2crp s THR 14 N -3.29 2.48 1.03 3.79 -1.32 -1.26 -5.14 115.64 111.94 2crp s THR 14 Ca 0.33 -1.51 -0.17 0.00 -1.21 0.00 0.00 61.69 59.13 2crp s THR 14 Cb 0.01 -3.00 0.22 0.00 -1.51 0.00 0.00 72.50 68.22 2crp s THR 14 CO 0.21 0.00 1.24 0.00 -2.21 0.00 0.00 174.62 173.86 2crp s GLN 15 N -4.02 0.10 0.31 7.08 -2.07 -1.26 -5.10 119.66 114.70 2crp s GLN 15 Ca 0.45 -0.24 0.03 0.00 -1.82 0.00 0.00 55.36 53.78 2crp s GLN 15 Cb 0.00 -1.77 -0.06 0.00 -1.09 0.00 0.00 33.01 30.09 2crp s GLN 15 CO 0.25 -2.80 0.06 -1.59 -1.32 0.00 0.00 175.29 169.89 2crp s LYS 16 N -5.69 1.61 0.48 9.60 -2.85 -1.26 -5.11 119.74 116.52 2crp s LYS 16 Ca 0.72 -1.89 -0.17 0.00 -1.00 0.00 0.00 55.97 53.63 2crp s LYS 16 Cb -0.07 -0.77 -0.09 0.00 -2.06 0.00 0.00 37.83 34.85 2crp s LYS 16 CO 0.54 -0.20 0.96 0.99 0.10 0.00 0.00 175.35 177.73 2crp s THR 17 N -3.37 4.51 0.11 3.79 2.01 -1.26 -5.07 115.64 116.36 2crp s THR 17 Ca 0.37 1.26 0.03 0.00 0.31 0.00 0.00 61.69 63.65 2crp s THR 17 Cb 0.09 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2crp s THR 17 CO 0.15 -0.56 0.13 -0.44 -0.69 0.00 0.00 174.62 173.22 2crp s SER 18 N -2.79 5.69 0.16 3.53 0.01 -1.26 -4.96 113.70 114.08 2crp s SER 18 Ca 0.59 -0.00 -0.21 0.00 1.31 0.00 0.00 55.95 57.64 2crp s SER 18 Cb -0.10 -1.56 0.05 0.00 0.21 0.00 0.00 66.02 64.62 2crp s SER 18 CO 0.25 0.13 1.64 0.25 0.41 0.00 0.00 173.24 175.92 2crp h LEU 19 N 2.88 -0.67 -2.15 2.44 7.12 -1.87 0.41 115.31 123.47 2crp h LEU 19 Ca -0.47 0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.68 2crp h LEU 19 Cb 1.18 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 41.64 2crp h LEU 19 CO 0.66 -0.24 0.00 0.44 -0.13 0.00 0.00 178.44 179.17 2crp h ASP 20 N -0.18 0.00 0.00 1.25 3.32 -1.95 -2.91 116.42 115.95 2crp h ASP 20 Ca 0.16 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2crp h ASP 20 Cb 0.42 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 2crp h ASP 20 CO -0.40 0.00 -0.32 -0.08 -1.72 0.00 0.00 179.24 176.72 2crp h GLU 21 N 0.00 0.00 -1.42 3.56 4.81 -0.69 -3.29 114.58 117.55 2crp h GLU 21 Ca 0.00 0.00 0.48 0.00 -0.13 0.00 0.00 59.36 59.71 2crp h GLU 21 Cb 0.04 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.28 2crp h GLU 21 CO 0.00 0.17 0.93 0.00 -0.73 0.00 0.00 179.01 179.37 2crp h ALA 22 N -0.88 2.90 -0.25 2.92 0.00 -0.75 1.76 119.26 124.96 2crp h ALA 22 Ca -0.03 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2crp h ALA 22 Cb 0.40 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2crp h ALA 22 CO -0.02 -1.58 -0.49 -0.07 0.00 0.00 0.00 179.25 177.10 2crp h LEU 23 N 0.02 0.74 -2.30 0.00 3.38 -1.68 -2.87 115.31 112.60 2crp h LEU 23 Ca 0.88 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 58.51 2crp h LEU 23 Cb 2.87 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 43.40 2crp h LEU 23 CO -0.42 1.10 0.21 1.56 0.09 0.00 0.00 178.44 180.98 2crp h GLN 24 N 0.53 0.00 0.00 1.13 4.20 0.26 0.30 115.11 121.54 2crp h GLN 24 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2crp h GLN 24 Cb 1.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2crp h GLN 24 CO 0.10 0.00 0.00 -1.49 -0.67 0.00 0.00 178.83 176.77 2crp h TRP 25 N 0.00 0.00 0.14 2.96 6.55 -1.37 -2.90 115.95 121.34 2crp h TRP 25 Ca 0.06 0.00 -0.29 0.00 0.95 0.00 0.00 58.89 59.61 2crp h TRP 25 Cb 0.48 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 28.80 2crp h TRP 25 CO 0.00 0.00 -1.27 0.00 -1.05 0.00 0.00 178.44 176.12 2crp h ARG 26 N 0.00 0.46 0.30 0.49 3.08 -0.55 -3.35 114.38 114.82 2crp h ARG 26 Ca 0.00 -0.69 0.00 0.00 0.07 0.00 0.00 59.98 59.37 2crp h ARG 26 Cb 0.44 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 2crp h ARG 26 CO 0.00 1.31 -0.44 0.22 -1.07 0.00 0.00 179.97 179.98 2crp h ASP 27 N 0.17 -1.26 -3.58 7.04 1.82 -1.58 -3.43 116.42 115.61 2crp h ASP 27 Ca -0.17 0.12 -0.38 0.00 -0.39 0.00 0.00 57.03 56.21 2crp h ASP 27 Cb 1.96 0.44 -0.33 0.00 0.68 0.00 0.00 39.33 42.08 2crp h ASP 27 CO 0.23 -0.56 -0.76 -0.44 -1.61 0.00 0.00 179.24 176.10 2crp s SER 28 N -4.57 0.74 0.29 2.28 0.01 -1.25 -5.03 113.70 106.18 2crp s SER 28 Ca -0.17 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.03 2crp s SER 28 Cb 0.06 -0.31 0.70 0.00 0.21 0.00 0.00 66.02 66.68 2crp s SER 28 CO 0.62 -0.03 1.72 0.25 0.41 0.00 0.00 173.24 176.21 2crp h LEU 29 N 6.92 0.46 -0.29 2.44 5.85 -1.83 -2.21 115.31 126.65 2crp h LEU 29 Ca -0.37 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.51 2crp h LEU 29 Cb 1.16 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 2crp h LEU 29 CO 0.48 0.09 -0.39 -2.24 -0.34 0.00 0.00 178.44 176.04 2crp h ASP 30 N 0.51 -1.32 -1.18 1.25 3.04 -1.94 0.20 116.42 116.99 2crp h ASP 30 Ca 0.55 0.17 0.40 0.00 -3.24 0.00 0.00 57.03 54.91 2crp h ASP 30 Cb 0.96 0.54 -0.11 0.00 -1.04 0.00 0.00 39.33 39.68 2crp h ASP 30 CO -0.47 -0.28 0.77 0.29 -2.04 0.00 0.00 179.24 177.51 2crp n LYS 31 N -4.58 -0.03 0.11 4.15 5.02 -0.83 -0.00 118.16 122.00 2crp n LYS 31 Ca -0.02 1.01 -0.06 0.00 -2.02 0.00 0.00 58.31 57.22 2crp n LYS 31 Cb 0.24 -2.03 -0.03 0.00 -0.02 0.00 0.00 35.03 33.19 2crp n LYS 31 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2crp h LEU 32 N 0.00 -0.31 -0.63 -0.35 5.85 -0.69 -3.01 115.31 116.16 2crp h LEU 32 Ca 0.73 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.58 2crp h LEU 32 Cb 2.41 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 43.43 2crp h LEU 32 CO -0.35 0.10 0.14 -0.07 -0.34 0.00 0.00 178.44 177.92 2crp h LEU 33 N -1.03 0.00 -0.63 2.25 3.38 0.26 -0.83 115.31 118.71 2crp h LEU 33 Ca -0.04 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.16 2crp h LEU 33 Cb 0.28 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 2crp h LEU 33 CO 0.06 -0.00 0.20 1.56 0.09 0.00 0.00 178.44 180.36 2crp h GLN 34 N 0.26 0.35 -6.37 1.13 4.20 -0.70 -3.40 115.11 110.58 2crp h GLN 34 Ca 0.34 -0.02 -0.54 0.00 0.06 0.00 0.00 58.65 58.48 2crp h GLN 34 Cb 0.52 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2crp h GLN 34 CO -0.43 0.23 0.80 -0.80 -0.67 0.00 0.00 178.83 177.96 2crp s ASN 35 N -5.35 6.90 0.16 1.46 -0.87 -0.34 -4.92 114.94 111.97 2crp s ASN 35 Ca -0.13 2.05 -0.16 0.00 -1.57 0.00 0.00 52.86 53.05 2crp s ASN 35 Cb 0.18 -2.56 0.07 0.00 -0.02 0.00 0.00 41.25 38.92 2crp s ASN 35 CO 0.75 -0.68 1.73 -1.13 -2.57 0.00 0.00 177.10 175.19 2crp h ASN 36 N 7.71 0.02 0.69 -1.22 -1.24 -1.81 0.31 115.58 120.04 2crp h ASN 36 Ca -0.37 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 56.67 2crp h ASN 36 Cb 1.18 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.30 2crp h ASN 36 CO 0.90 0.05 -0.40 0.22 -1.29 0.00 0.00 177.43 176.91 2crp h TYR 37 N 0.20 -1.05 -0.96 0.67 3.20 -1.91 0.60 116.97 117.72 2crp h TYR 37 Ca 0.17 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.08 2crp h TYR 37 Cb 0.19 0.37 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 2crp h TYR 37 CO -0.18 -0.61 0.62 0.78 -1.64 0.00 0.00 178.16 177.13 2crp h GLY 38 N -1.02 1.41 0.54 1.82 0.00 -1.72 -2.44 103.07 101.66 2crp h GLY 38 Ca -0.09 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 2crp h GLY 38 CO 0.11 0.35 -0.26 -2.00 0.00 0.00 0.00 176.54 174.74 2crp h LEU 39 N 1.14 -0.61 -0.92 3.11 5.85 -0.17 0.29 115.31 124.00 2crp h LEU 39 Ca 0.40 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.31 2crp h LEU 39 Cb 0.12 0.16 -0.17 0.00 0.37 0.00 0.00 40.66 41.14 2crp h LEU 39 CO -0.14 -0.37 -0.30 0.00 -0.34 0.00 0.00 178.44 177.29 2crp h ALA 40 N -1.53 0.38 -0.31 1.25 0.00 -0.81 0.27 119.26 118.51 2crp h ALA 40 Ca -0.07 0.31 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2crp h ALA 40 Cb 0.55 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2crp h ALA 40 CO 0.12 -0.50 -0.06 0.77 0.00 0.00 0.00 179.25 179.58 2crp h SER 41 N -0.02 0.58 -0.58 0.00 0.02 -1.45 -3.08 113.55 109.02 2crp h SER 41 Ca 0.39 -0.35 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 2crp h SER 41 Cb 0.64 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 62.94 2crp h SER 41 CO -0.95 0.79 0.13 0.15 -1.14 0.00 0.00 176.83 175.82 2crp h PHE 42 N 0.35 0.21 0.24 3.45 3.57 0.28 -2.51 116.94 122.53 2crp h PHE 42 Ca 0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2crp h PHE 42 Cb 0.53 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2crp h PHE 42 CO 0.05 -0.01 -0.28 0.87 -2.23 0.00 0.00 178.31 176.71 2crp h LYS 43 N 0.27 -0.51 -0.97 1.11 1.57 -0.67 -2.79 116.57 114.58 2crp h LYS 43 Ca 0.30 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 59.28 2crp h LYS 43 Cb 0.43 0.12 -0.17 0.00 0.08 0.00 0.00 32.23 32.69 2crp h LYS 43 CO -0.38 -0.34 -0.33 0.45 -0.57 0.00 0.00 179.45 178.29 2crp n SER 44 N -4.05 -0.53 -0.33 0.86 2.88 -1.08 0.13 113.62 111.50 2crp n SER 44 Ca -0.06 1.69 0.25 0.00 -1.33 0.00 0.00 58.87 59.41 2crp n SER 44 Cb 0.25 -0.43 0.49 0.00 -0.75 0.00 0.00 64.21 63.76 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 0.89 0.02 0.66 3.57 -1.18 0.19 116.94 121.10 2crp h PHE 45 Ca 0.38 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.92 2crp h PHE 45 Cb 0.63 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2crp h PHE 45 CO -0.82 -0.22 -0.01 -0.07 -2.23 0.00 0.00 178.31 174.96 2crp h LEU 46 N 0.27 -0.03 -0.99 0.59 4.07 0.12 -3.15 115.31 116.18 2crp h LEU 46 Ca 0.75 -0.69 0.37 0.00 0.08 0.00 0.00 57.88 58.39 2crp h LEU 46 Cb 1.74 0.01 -0.18 0.00 1.08 0.00 0.00 40.66 43.31 2crp h LEU 46 CO -0.63 0.71 0.40 0.11 -1.08 0.00 0.00 178.44 177.94 2crp h LYS 47 N -0.79 0.03 -0.40 1.13 1.57 0.06 1.33 116.57 119.49 2crp h LYS 47 Ca -0.00 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 2crp h LYS 47 Cb 0.71 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2crp h LYS 47 CO 0.01 0.02 -0.34 1.03 -0.57 0.00 0.00 179.45 179.60 2crp h SER 48 N 0.03 0.98 0.89 0.86 0.87 -1.45 -2.73 113.55 113.02 2crp h SER 48 Ca 0.77 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2crp h SER 48 Cb 1.91 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 2crp h SER 48 CO -0.79 1.22 0.00 -0.62 -0.53 0.00 0.00 176.83 176.11 2crp n GLU 49 N -4.07 0.08 -2.36 2.24 -0.58 0.39 -4.90 120.64 111.44 2crp n GLU 49 Ca -0.02 0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2crp n GLU 49 Cb 0.52 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 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 -1.46 -0.72 -1.99 -0.32 3.72 0.22 -4.92 117.46 111.99 2crp n PHE 50 Ca 0.08 0.09 0.02 0.00 -0.05 0.00 0.00 57.45 57.59 2crp n PHE 50 Cb 0.31 -2.76 0.12 0.00 -0.94 0.00 0.00 39.48 36.22 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 -0.36 1.74 0.21 4.37 7.64 -1.05 -4.76 113.62 121.41 2crp n SER 51 Ca -0.12 -3.18 0.09 0.00 1.01 0.00 0.00 58.87 56.68 2crp n SER 51 Cb 0.59 -0.44 0.35 0.00 -1.01 0.00 0.00 64.21 63.71 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 1.18 0.00 -0.89 1.43 4.81 -1.91 -3.15 114.58 116.05 2crp h GLU 52 Ca -0.05 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.36 2crp h GLU 52 Cb 1.35 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.66 2crp h GLU 52 CO 0.11 0.25 0.58 1.05 -0.73 0.00 0.00 179.01 180.27 2crp h GLU 53 N 0.00 0.47 -0.87 1.92 9.09 -1.86 0.36 114.58 123.69 2crp h GLU 53 Ca -0.00 -0.03 0.06 0.00 0.05 0.00 0.00 59.36 59.44 2crp h GLU 53 Cb 0.90 -0.11 -0.06 0.00 -1.65 0.00 0.00 28.75 27.83 2crp h GLU 53 CO 0.03 0.31 0.54 -0.91 0.05 0.00 0.00 179.01 179.03 2crp h ASN 54 N 0.49 0.85 -0.11 3.06 4.21 -1.83 -2.47 115.58 119.77 2crp h ASN 54 Ca 0.46 0.02 -0.13 0.00 1.21 0.00 0.00 56.30 57.86 2crp h ASN 54 Cb 1.03 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.08 2crp h ASN 54 CO -0.19 0.54 -0.43 0.25 -1.29 0.00 0.00 177.43 176.30 2crp h LEU 55 N 0.98 0.58 -0.60 1.61 6.46 -1.16 -3.29 115.31 119.88 2crp h LEU 55 Ca 0.38 -0.62 0.11 0.00 -0.12 0.00 0.00 57.88 57.63 2crp h LEU 55 Cb 0.18 -0.17 -0.12 0.00 -0.73 0.00 0.00 40.66 39.83 2crp h LEU 55 CO -0.18 1.10 -0.30 -0.33 -0.62 0.00 0.00 178.44 178.11 2crp h GLU 56 N 0.09 -0.13 -0.85 1.25 4.39 -0.92 0.58 114.58 118.99 2crp h GLU 56 Ca -0.02 0.01 0.22 0.00 0.34 0.00 0.00 59.36 59.91 2crp h GLU 56 Cb 1.07 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.70 2crp h GLU 56 CO 0.09 -0.09 0.59 0.35 -1.16 0.00 0.00 179.01 178.79 2crp h PHE 57 N -0.14 0.25 0.28 4.33 3.57 -1.53 -0.34 116.94 123.36 2crp h PHE 57 Ca 0.25 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2crp h PHE 57 Cb 0.54 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2crp h PHE 57 CO -0.62 0.07 -0.14 2.35 -2.23 0.00 0.00 178.31 177.74 2crp h TRP 58 N 0.19 -0.35 -0.77 0.41 7.01 0.02 -2.49 115.95 119.97 2crp h TRP 58 Ca 0.42 -0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.59 2crp h TRP 58 Cb 1.36 0.12 -0.12 0.00 -2.10 0.00 0.00 29.16 28.42 2crp h TRP 58 CO -0.00 -0.22 0.18 0.82 -2.79 0.00 0.00 178.44 176.43 2crp h ILE 59 N -0.97 0.47 0.22 2.65 2.04 -0.74 -1.19 117.51 120.00 2crp h ILE 59 Ca -0.04 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2crp h ILE 59 Cb 0.29 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2crp h ILE 59 CO 0.06 0.05 -0.11 0.00 0.00 0.00 0.00 178.15 178.15 2crp h ALA 60 N 1.65 -0.30 -0.45 1.87 0.00 -1.18 -2.25 119.26 118.60 2crp h ALA 60 Ca 0.44 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.33 2crp h ALA 60 Cb 0.78 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 2crp h ALA 60 CO -0.55 -0.67 -0.50 0.00 0.00 0.00 0.00 179.25 177.53 2crp h GLU 62 N -0.30 0.54 0.00 0.00 4.39 -1.41 0.44 114.58 118.24 2crp h GLU 62 Ca 0.08 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2crp h GLU 62 Cb 0.50 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2crp h GLU 62 CO -0.58 0.36 -0.06 0.22 -1.16 0.00 0.00 179.01 177.79 2crp h ASP 63 N 0.56 0.00 1.48 1.42 1.82 -0.29 -1.39 116.42 120.02 2crp h ASP 63 Ca 0.45 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 57.05 2crp h ASP 63 Cb 0.66 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 2crp h ASP 63 CO -0.38 0.06 -0.54 0.22 -1.61 0.00 0.00 179.24 177.00 2crp h TYR 64 N 0.00 0.00 -0.26 0.28 5.03 0.25 -3.30 116.97 118.97 2crp h TYR 64 Ca -0.00 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 2crp h TYR 64 Cb 0.25 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 2crp h TYR 64 CO 0.00 0.17 -0.22 0.87 -1.32 0.00 0.00 178.16 177.66 2crp h LYS 65 N 0.00 0.49 -0.98 1.82 1.79 -0.42 -2.50 116.57 116.77 2crp h LYS 65 Ca -0.02 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.24 2crp h LYS 65 Cb 1.14 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.73 2crp h LYS 65 CO 0.02 0.68 0.05 0.36 -1.08 0.00 0.00 179.45 179.48 2crp n LYS 66 N -4.14 1.34 -3.50 3.15 2.85 -1.22 -4.76 118.16 111.87 2crp n LYS 66 Ca -0.00 -0.43 -0.42 0.00 -1.05 0.00 0.00 58.31 56.40 2crp n LYS 66 Cb 0.39 -1.35 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 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 -0.80 4.92 -0.12 0.58 1.01 -0.94 -4.91 121.20 120.94 2crp s ILE 67 Ca 0.08 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 59.93 2crp s ILE 67 Cb 0.06 -3.81 -0.24 0.00 0.01 0.00 0.00 42.46 38.48 2crp s ILE 67 CO 0.02 -0.37 0.35 2.29 0.00 0.00 0.00 174.94 177.23 2crp n LYS 68 N 5.09 0.67 -1.54 2.79 -0.00 -1.26 -4.66 118.16 119.25 2crp n LYS 68 Ca -0.11 0.19 -0.52 0.00 -0.00 0.00 0.00 58.31 57.87 2crp n LYS 68 Cb 0.45 -1.67 -0.05 0.00 -0.00 0.00 0.00 35.03 33.76 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 0.77 0.26 -5.58 7.64 -1.26 -4.84 113.62 107.56 2crp n SER 69 Ca -0.27 1.14 0.14 0.00 1.01 0.00 0.00 58.87 60.90 2crp n SER 69 Cb 1.08 -1.11 0.63 0.00 -1.01 0.00 0.00 64.21 63.79 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 3.22 0.00 0.04 1.43 0.13 -2.00 -1.35 132.00 133.47 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 1.37 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.45 2crp h PRO 70 CO 0.69 0.09 -2.17 0.00 -0.23 0.00 0.00 178.00 176.38 2crp n ALA 71 N -2.16 1.30 -0.04 -0.56 0.00 -1.26 -4.23 120.51 113.56 2crp n ALA 71 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 53.44 52.37 2crp n ALA 71 Cb 0.33 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 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 0.02 0.28 -1.03 0.00 1.63 -1.92 0.44 116.57 115.99 2crp h LYS 72 Ca -0.47 -0.17 0.27 0.00 -0.85 0.00 0.00 60.65 59.43 2crp h LYS 72 Cb 2.04 0.02 -0.11 0.00 -0.60 0.00 0.00 32.23 33.57 2crp h LYS 72 CO 0.02 0.74 0.64 0.52 -3.45 0.00 0.00 179.45 177.92 2crp h MET 73 N -0.16 0.46 0.00 1.90 2.86 -1.46 0.69 114.93 119.22 2crp h MET 73 Ca 0.01 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 2crp h MET 73 Cb 0.71 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 2crp h MET 73 CO 0.04 0.30 -0.97 0.00 1.06 0.00 0.00 176.91 177.34 2crp n ALA 74 N -2.39 0.65 0.08 6.32 0.00 -1.19 -3.53 120.51 120.45 2crp n ALA 74 Ca 0.27 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 2crp n ALA 74 Cb 0.84 -0.25 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.51 -0.81 0.00 4.39 0.15 -1.87 114.58 114.92 2crp h GLU 75 Ca -0.20 0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.65 2crp h GLU 75 Cb 0.95 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.63 2crp h GLU 75 CO -0.12 -0.34 0.45 -0.22 -1.16 0.00 0.00 179.01 177.62 2crp h LYS 76 N -0.53 0.70 -0.50 2.33 1.63 0.22 -1.87 116.57 118.55 2crp h LYS 76 Ca 0.05 -0.04 0.10 0.00 -0.85 0.00 0.00 60.65 59.91 2crp h LYS 76 Cb 0.59 -0.16 -0.10 0.00 -0.60 0.00 0.00 32.23 31.97 2crp h LYS 76 CO -0.25 0.46 -0.14 0.00 -3.45 0.00 0.00 179.45 176.07 2crp h ALA 77 N 1.48 0.30 -0.46 5.00 0.00 -1.40 0.40 119.26 124.58 2crp h ALA 77 Ca 0.41 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.46 2crp h ALA 77 Cb 0.44 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2crp h ALA 77 CO -0.28 -0.46 0.09 1.57 0.00 0.00 0.00 179.25 180.18 2crp h LYS 78 N -0.02 0.70 -0.20 0.00 2.10 -0.96 -2.72 116.57 115.47 2crp h LYS 78 Ca 0.24 -0.14 0.04 0.00 -2.00 0.00 0.00 60.65 58.79 2crp h LYS 78 Cb 0.38 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.57 2crp h LYS 78 CO -0.52 0.65 -0.02 1.96 -2.00 0.00 0.00 179.45 179.52 2crp h GLN 79 N 0.68 0.03 -0.06 0.07 4.20 -0.38 0.39 115.11 120.04 2crp h GLN 79 Ca 0.15 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 2crp h GLN 79 Cb 0.28 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2crp h GLN 79 CO 0.00 0.02 -0.14 0.82 -0.67 0.00 0.00 178.83 178.86 2crp h ILE 80 N 0.04 1.14 0.03 2.54 2.04 -1.16 -2.07 117.51 120.07 2crp h ILE 80 Ca 0.10 -0.63 -0.27 0.00 1.00 0.00 0.00 64.86 65.06 2crp h ILE 80 Cb 0.13 1.25 0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2crp h ILE 80 CO -0.18 0.19 -1.08 0.22 0.00 0.00 0.00 178.15 177.30 2crp h TYR 81 N 0.09 0.93 0.00 1.37 5.03 -0.98 0.14 116.97 123.56 2crp h TYR 81 Ca 0.02 -0.53 0.00 0.00 2.58 0.00 0.00 58.73 60.80 2crp h TYR 81 Cb 0.31 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.49 2crp h TYR 81 CO 0.00 1.37 0.00 0.39 -1.32 0.00 0.00 178.16 178.60 2crp n GLU 82 N -3.81 0.05 -0.09 1.82 -0.58 0.13 0.24 120.64 118.39 2crp n GLU 82 Ca -0.11 0.23 -0.12 0.00 -0.42 0.00 0.00 57.16 56.74 2crp n GLU 82 Cb 0.90 -1.58 -0.08 0.00 -0.57 0.00 0.00 31.44 30.11 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 -1.66 0.46 -0.02 3.49 2.13 -0.81 -4.57 120.64 119.65 2crp n GLU 83 Ca 0.04 0.10 -0.06 0.00 0.66 0.00 0.00 57.16 57.90 2crp n GLU 83 Cb 0.23 -1.36 -0.02 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 -3.02 0.00 0.89 4.31 3.72 0.49 -3.26 117.46 120.59 2crp n PHE 84 Ca -0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 2crp n PHE 84 Cb 0.84 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 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 -3.85 0.80 -4.14 4.37 2.08 0.23 -4.04 119.36 114.80 2crp n ILE 85 Ca -0.11 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 62.93 2crp n ILE 85 Cb 0.34 -0.89 -0.07 0.00 -0.75 0.00 0.00 39.64 38.26 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 -0.02 2.64 0.24 0.38 0.74 0.64 -4.64 119.66 119.65 2crp s GLN 86 Ca 0.00 -0.94 -0.31 0.00 0.05 0.00 0.00 55.36 54.16 2crp s GLN 86 Cb 0.00 -2.52 -0.12 0.00 1.10 0.00 0.00 33.01 31.47 2crp s GLN 86 CO 0.00 0.49 1.68 0.99 -0.55 0.00 0.00 175.29 177.90 2crp s THR 87 N -1.62 2.01 -0.40 -0.34 2.01 -1.26 -1.80 115.64 114.24 2crp s THR 87 Ca 0.28 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2crp s THR 87 Cb -0.10 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.40 2crp s THR 87 CO 0.20 0.00 0.00 -1.84 -0.69 0.00 0.00 174.62 172.29 2crp n GLU 88 N 3.26 -2.31 -1.03 4.92 0.28 -1.26 -4.83 120.64 119.66 2crp n GLU 88 Ca 0.13 0.23 -0.35 0.00 -0.16 0.00 0.00 57.16 57.00 2crp n GLU 88 Cb 0.36 -4.65 0.08 0.00 1.43 0.00 0.00 31.44 28.66 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 -1.92 -2.92 0.21 -1.84 0.00 -0.75 -4.87 120.51 108.43 2crp n ALA 89 Ca -0.05 -0.46 0.07 0.00 0.00 0.00 0.00 53.44 53.00 2crp n ALA 89 Cb 0.44 -1.64 0.44 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.92 0.00 0.00 0.00 0.13 -1.88 -3.13 132.00 126.20 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 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2crp h PRO 90 CO 0.35 0.30 -0.08 1.63 -0.23 0.00 0.00 178.00 179.97 2crp n LYS 91 N -3.62 1.38 -1.49 0.86 5.02 -1.20 -5.06 118.16 114.04 2crp n LYS 91 Ca -0.01 -1.97 -0.58 0.00 -2.02 0.00 0.00 58.31 53.73 2crp n LYS 91 Cb 0.42 -1.17 -0.08 0.00 -0.02 0.00 0.00 35.03 34.18 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 -0.92 0.00 -2.45 1.97 4.07 -1.19 -4.71 120.64 117.41 2crp n GLU 92 Ca 0.09 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.95 2crp n GLU 92 Cb 0.56 -1.42 0.08 0.00 -0.06 0.00 0.00 31.44 30.59 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 0.81 2.34 -0.72 6.31 -7.23 -1.26 -4.87 120.40 115.77 2crp s VAL 93 Ca 0.90 -0.49 -0.23 0.00 -1.81 0.00 0.00 61.98 60.35 2crp s VAL 93 Cb -1.27 -2.85 0.07 0.00 0.56 0.00 0.00 36.38 32.89 2crp s VAL 93 CO 0.61 0.00 1.08 0.20 -0.31 0.00 0.00 175.10 176.68 2crp s ASN 94 N -4.58 6.23 -0.23 4.85 0.01 -1.26 -4.95 114.94 115.01 2crp s ASN 94 Ca 0.62 -0.99 -0.03 0.00 -0.71 0.00 0.00 52.86 51.75 2crp s ASN 94 Cb -0.08 -2.46 0.12 0.00 0.41 0.00 0.00 41.25 39.24 2crp s ASN 94 CO 0.43 -1.50 0.36 0.27 -1.51 0.00 0.00 177.10 175.14 2crp s ILE 95 N 4.38 -0.57 0.98 0.60 -4.36 -1.26 -4.74 121.20 116.23 2crp s ILE 95 Ca 0.27 -0.03 -0.14 0.00 -0.26 0.00 0.00 60.65 60.49 2crp s ILE 95 Cb -0.13 -0.76 0.05 0.00 1.25 0.00 0.00 42.46 42.86 2crp s ILE 95 CO 0.08 -0.10 0.35 -0.67 0.24 0.00 0.00 174.94 174.84 2crp n ASP 96 N 5.36 -2.14 -0.30 4.36 2.03 -1.26 -4.31 116.55 120.29 2crp n ASP 96 Ca -0.04 0.26 0.21 0.00 0.52 0.00 0.00 54.79 55.74 2crp n ASP 96 Cb 0.50 -1.17 0.49 0.00 -0.72 0.00 0.00 41.12 40.22 2crp n ASP 96 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2crp h HIS 97 N -1.64 0.66 0.03 -0.67 2.76 -2.01 0.17 115.15 114.45 2crp h HIS 97 Ca -0.45 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.75 2crp h HIS 97 Cb 1.29 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 30.04 2crp h HIS 97 CO 0.36 0.10 -0.17 0.35 -1.30 0.00 0.00 177.93 177.27 2crp h PHE 98 N 0.43 -0.49 -0.11 5.26 3.57 -2.00 0.25 116.94 123.86 2crp h PHE 98 Ca 0.56 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.06 2crp h PHE 98 Cb 1.36 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 40.31 2crp h PHE 98 CO -0.00 -0.19 0.03 1.15 -2.23 0.00 0.00 178.31 177.07 2crp h THR 99 N -0.24 1.18 -0.70 4.41 2.02 -1.76 -2.89 112.91 114.94 2crp h THR 99 Ca -0.00 -0.55 0.15 0.00 0.77 0.00 0.00 66.41 66.78 2crp h THR 99 Cb 0.24 1.34 -0.12 0.00 -1.74 0.00 0.00 68.15 67.86 2crp h THR 99 CO -0.09 0.16 -0.05 0.50 0.37 0.00 0.00 175.52 176.40 2crp h LYS 100 N -0.01 0.07 -0.51 6.66 3.11 -0.89 0.60 116.57 125.59 2crp h LYS 100 Ca 0.04 -0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.91 2crp h LYS 100 Cb 0.22 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.40 2crp h LYS 100 CO -0.00 0.05 0.27 -0.44 -2.81 0.00 0.00 179.45 176.52 2crp h ASP 101 N 0.07 0.41 -0.24 4.20 5.19 -0.39 -3.11 116.42 122.55 2crp h ASP 101 Ca 0.36 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.82 2crp h ASP 101 Cb 0.61 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.02 2crp h ASP 101 CO -0.64 0.29 -0.20 0.40 -3.12 0.00 0.00 179.24 175.96 2crp h ILE 102 N 0.54 0.00 -0.98 0.35 1.08 -0.67 -1.23 117.51 116.60 2crp h ILE 102 Ca 0.22 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.82 2crp h ILE 102 Cb 0.09 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.69 2crp h ILE 102 CO -0.13 0.00 -0.43 0.74 -0.69 0.00 0.00 178.15 177.64 2crp h THR 103 N -0.07 0.01 -0.59 -0.27 2.02 -1.46 0.78 112.91 113.33 2crp h THR 103 Ca 0.04 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.30 2crp h THR 103 Cb 0.18 0.01 -0.10 0.00 -1.74 0.00 0.00 68.15 66.49 2crp h THR 103 CO -0.27 0.00 -0.49 0.24 0.37 0.00 0.00 175.52 175.37 2crp h MET 104 N -0.01 -0.24 -0.01 6.66 2.86 -1.23 0.97 114.93 123.94 2crp h MET 104 Ca 0.31 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2crp h MET 104 Cb 0.56 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 2crp h MET 104 CO -0.97 -0.16 0.02 0.87 1.06 0.00 0.00 176.91 177.74 2crp h LYS 105 N -0.25 0.00 -0.24 1.72 1.57 -0.29 0.25 116.57 119.33 2crp h LYS 105 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2crp h LYS 105 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2crp h LYS 105 CO -0.70 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.27 2crp n ASN 106 N -3.27 1.90 -0.44 0.86 4.13 0.33 -3.70 115.26 115.06 2crp n ASN 106 Ca -0.03 -1.81 0.13 0.00 1.68 0.00 0.00 54.58 54.56 2crp n ASN 106 Cb 0.10 -0.16 0.40 0.00 -1.54 0.00 0.00 39.78 38.58 2crp n ASN 106 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2crp n LEU 107 N 0.49 1.49 -0.00 3.41 4.77 0.88 -3.23 117.00 124.81 2crp n LEU 107 Ca 0.15 -0.47 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 2crp n LEU 107 Cb 0.35 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2crp n LEU 107 CO 0.12 0.26 0.12 0.58 -1.33 0.00 0.00 177.39 177.14 2crp h VAL 108 N 2.14 0.29 -1.47 4.08 2.07 -1.71 -3.40 116.25 118.25 2crp h VAL 108 Ca 0.00 -1.10 -0.55 0.00 0.82 0.00 0.00 66.70 65.86 2crp h VAL 108 Cb 0.56 0.53 -0.42 0.00 -1.52 0.00 0.00 31.29 30.45 2crp h VAL 108 CO 0.00 0.09 -0.80 -0.62 0.02 0.00 0.00 177.57 176.26 2crp n GLU 109 N -4.84 3.05 -2.25 1.57 1.02 -1.26 -5.08 120.64 112.85 2crp n GLU 109 Ca -0.03 -4.32 -0.41 0.00 -0.02 0.00 0.00 57.16 52.38 2crp n GLU 109 Cb 0.12 -2.09 -0.03 0.00 -0.02 0.00 0.00 31.44 29.42 2crp n GLU 109 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2crp s PRO 110 N -3.46 4.46 0.01 3.49 0.04 -1.20 -4.94 135.00 133.40 2crp s PRO 110 Ca 0.45 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2crp s PRO 110 Cb 0.40 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2crp s PRO 110 CO -0.15 -0.05 0.00 0.43 0.04 0.00 0.00 177.00 177.27 2crp n SER 111 N 1.05 0.01 0.00 6.66 7.64 -1.26 -4.62 113.62 123.10 2crp n SER 111 Ca -0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2crp n SER 111 Cb 0.43 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 -2.56 0.52 -0.88 -3.43 4.77 -1.26 -4.78 117.00 109.39 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 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 2crp n LEU 112 CO 0.00 -0.07 0.47 -1.54 -1.33 0.00 0.00 177.39 174.91 2crp n SER 113 N -2.26 2.35 -0.12 -1.43 3.41 -1.26 -4.39 113.62 109.91 2crp n SER 113 Ca 0.00 -2.26 -0.07 0.00 -0.26 0.00 0.00 58.87 56.29 2crp n SER 113 Cb 0.17 -0.51 -0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2crp n SER 113 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2crp h SER 114 N 1.28 -0.98 -0.98 4.04 0.02 -1.88 -0.94 113.55 114.11 2crp h SER 114 Ca 0.00 0.19 -0.66 0.00 -0.84 0.00 0.00 61.79 60.47 2crp h SER 114 Cb 0.89 0.48 -0.31 0.00 0.14 0.00 0.00 62.40 63.60 2crp h SER 114 CO 0.14 -0.30 0.66 0.49 -1.14 0.00 0.00 176.83 176.68 2crp n PHE 115 N -5.41 3.17 -0.23 3.45 3.01 -1.26 -4.63 117.46 115.57 2crp n PHE 115 Ca 0.02 -2.93 -0.08 0.00 1.01 0.00 0.00 57.45 55.47 2crp n PHE 115 Cb 0.33 -1.31 0.03 0.00 -0.01 0.00 0.00 39.48 38.52 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 2.03 1.05 0.08 4.37 3.58 -1.46 -0.75 116.42 125.32 2crp h ASP 116 Ca 0.58 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 2crp h ASP 116 Cb 0.90 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2crp h ASP 116 CO 1.49 1.06 -0.04 -0.03 -2.88 0.00 0.00 179.24 178.84 2crp h MET 117 N 1.00 -0.10 -1.00 0.28 4.05 -1.82 -2.97 114.93 114.37 2crp h MET 117 Ca 0.19 0.01 0.22 0.00 -0.28 0.00 0.00 59.70 59.84 2crp h MET 117 Cb 0.48 0.02 -0.11 0.00 -0.80 0.00 0.00 31.60 31.19 2crp h MET 117 CO 0.02 0.02 0.61 0.00 0.23 0.00 0.00 176.91 177.79 2crp h ALA 118 N -0.92 1.78 0.60 0.39 0.00 -1.87 0.46 119.26 119.68 2crp h ALA 118 Ca -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2crp h ALA 118 Cb 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2crp h ALA 118 CO 0.02 -0.19 -0.29 0.37 0.00 0.00 0.00 179.25 179.16 2crp h GLN 119 N 0.66 -0.77 0.00 0.00 5.75 -1.25 -1.59 115.11 117.91 2crp h GLN 119 Ca 0.60 0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 59.12 2crp h GLN 119 Cb 1.08 0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.80 2crp h GLN 119 CO -0.41 -0.47 -0.15 1.57 -2.65 0.00 0.00 178.83 176.73 2crp h LYS 120 N -0.94 0.00 0.49 1.69 2.10 -1.17 -0.41 116.57 118.33 2crp h LYS 120 Ca -0.08 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 2crp h LYS 120 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2crp h LYS 120 CO 0.13 0.15 -0.24 -0.09 -2.00 0.00 0.00 179.45 177.40 2crp h ARG 121 N 0.00 -0.64 -0.54 0.07 1.12 0.07 -1.78 114.38 112.69 2crp h ARG 121 Ca -0.00 0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.84 2crp h ARG 121 Cb 0.26 0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 30.35 2crp h ARG 121 CO 0.02 -0.34 0.05 0.82 -3.11 0.00 0.00 179.97 177.41 2crp h ILE 122 N -0.88 1.26 -0.91 1.20 1.08 -1.15 -2.83 117.51 115.29 2crp h ILE 122 Ca -0.07 -1.02 0.10 0.00 -0.39 0.00 0.00 64.86 63.48 2crp h ILE 122 Cb 0.59 0.87 -0.07 0.00 -3.07 0.00 0.00 36.82 35.14 2crp h ILE 122 CO 0.11 0.37 0.59 -0.74 -0.69 0.00 0.00 178.15 177.78 2crp h HIS 123 N 0.80 0.98 0.00 1.37 2.76 -1.08 0.21 115.15 120.18 2crp h HIS 123 Ca 0.16 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2crp h HIS 123 Cb 0.46 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2crp h HIS 123 CO 0.03 0.44 0.00 0.00 -1.30 0.00 0.00 177.93 177.11 2crp h ALA 124 N 1.55 1.00 0.00 5.26 0.00 -1.07 -2.75 119.26 123.25 2crp h ALA 124 Ca 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 2crp h ALA 124 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2crp h ALA 124 CO -0.19 0.00 -0.62 1.25 0.00 0.00 0.00 179.25 179.70 2crp h LEU 125 N 0.00 0.00 -0.12 0.00 5.85 -0.54 -3.10 115.31 117.40 2crp h LEU 125 Ca 0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2crp h LEU 125 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2crp h LEU 125 CO 0.00 1.07 0.00 0.23 -0.34 0.00 0.00 178.44 179.40 2crp n MET 126 N -4.57 0.01 -0.02 1.25 0.00 -0.33 0.17 117.12 113.64 2crp n MET 126 Ca -0.17 0.49 0.03 0.00 0.00 0.00 0.00 57.70 58.05 2crp n MET 126 Cb 0.44 -1.54 -0.14 0.00 0.00 0.00 0.00 33.22 31.98 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 -1.04 0.47 120.64 119.47 2crp n GLU 127 Ca 0.00 -0.05 0.05 0.00 -0.16 0.00 0.00 57.16 57.00 2crp n GLU 127 Cb 0.02 -1.59 -0.00 0.00 1.43 0.00 0.00 31.44 31.30 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 -2.54 2.12 0.00 3.44 -0.00 0.09 -4.02 118.16 117.26 2crp n LYS 128 Ca -0.13 -0.58 -0.01 0.00 -0.00 0.00 0.00 58.31 57.59 2crp n LYS 128 Cb 0.79 -1.06 -0.00 0.00 -0.00 0.00 0.00 35.03 34.76 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 -0.27 0.58 -0.03 -5.58 2.03 0.44 -4.72 116.55 108.99 2crp n ASP 129 Ca 0.04 0.08 -0.07 0.00 0.52 0.00 0.00 54.79 55.36 2crp n ASP 129 Cb 0.19 -0.28 -0.06 0.00 -0.72 0.00 0.00 41.12 40.25 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 -0.13 -0.04 -0.84 1.67 4.64 -1.65 -3.00 113.55 114.21 2crp h SER 130 Ca 0.00 -0.42 0.14 0.00 -0.47 0.00 0.00 61.79 61.04 2crp h SER 130 Cb 0.13 0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 62.09 2crp h SER 130 CO 0.00 0.65 -0.30 -0.11 -0.87 0.00 0.00 176.83 176.20 2crp n LEU 131 N -4.75 -0.49 0.22 5.97 7.94 0.18 0.23 117.00 126.30 2crp n LEU 131 Ca -0.05 1.45 0.09 0.00 -1.11 0.00 0.00 56.01 56.39 2crp n LEU 131 Cb 0.22 -0.36 0.48 0.00 0.53 0.00 0.00 43.42 44.29 2crp n LEU 131 CO 0.17 -1.33 0.80 1.55 -1.11 0.00 0.00 177.39 177.47 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.70 -2.64 132.00 129.75 2crp h PRO 132 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 2crp h PRO 132 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2crp h PRO 132 CO -0.84 0.26 -0.75 0.54 -0.23 0.00 0.00 178.00 176.98 2crp n ARG 133 N -3.56 0.20 0.07 0.86 5.12 0.64 -3.97 116.66 116.02 2crp n ARG 133 Ca -0.01 0.03 -0.23 0.00 -1.93 0.00 0.00 57.85 55.71 2crp n ARG 133 Cb 0.40 -1.59 -0.15 0.00 -1.16 0.00 0.00 32.46 29.96 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 0.67 -0.75 -1.55 3.57 0.29 -3.24 116.94 115.93 2crp h PHE 134 Ca 0.00 -0.49 -0.00 0.00 3.53 0.00 0.00 57.97 61.01 2crp h PHE 134 Cb 0.66 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 2crp h PHE 134 CO 0.00 1.59 0.47 -0.39 -2.23 0.00 0.00 178.31 177.74 2crp h VAL 135 N -0.05 1.20 -0.24 1.41 -1.51 -1.64 -2.70 116.25 112.73 2crp h VAL 135 Ca -0.30 -0.43 -0.02 0.00 -1.23 0.00 0.00 66.70 64.72 2crp h VAL 135 Cb 1.97 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 2crp h VAL 135 CO 0.16 0.21 0.05 0.03 -1.23 0.00 0.00 177.57 176.79 2crp h ARG 136 N 1.03 0.38 -6.85 5.19 3.08 -1.69 -3.37 114.38 112.15 2crp h ARG 136 Ca 0.27 -0.09 -0.55 0.00 0.07 0.00 0.00 59.98 59.68 2crp h ARG 136 Cb -0.07 -0.05 0.11 0.00 0.08 0.00 0.00 29.97 30.04 2crp h ARG 136 CO -0.05 0.50 0.69 -1.13 -1.07 0.00 0.00 179.97 178.91 2crp n SER 137 N -4.73 3.44 -0.36 7.04 3.41 -1.02 -4.76 113.62 116.64 2crp n SER 137 Ca -0.03 1.21 0.31 0.00 -0.26 0.00 0.00 58.87 60.10 2crp n SER 137 Cb 0.18 -1.57 0.57 0.00 -0.26 0.00 0.00 64.21 63.14 2crp n SER 137 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2crp h GLU 138 N 3.06 0.13 -1.14 4.33 5.08 -1.85 0.22 114.58 124.42 2crp h GLU 138 Ca -0.49 -0.01 0.40 0.00 -1.00 0.00 0.00 59.36 58.27 2crp h GLU 138 Cb 1.25 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.35 2crp h GLU 138 CO 0.66 0.08 0.72 1.19 -1.00 0.00 0.00 179.01 180.66 2crp n PHE 139 N -5.01 0.66 -0.03 4.33 3.72 -1.26 0.72 117.46 120.58 2crp n PHE 139 Ca 0.36 0.66 -0.22 0.00 -0.05 0.00 0.00 57.45 58.21 2crp n PHE 139 Cb 1.24 -1.08 -0.13 0.00 -0.94 0.00 0.00 39.48 38.56 2crp n PHE 139 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2crp n TYR 140 N -4.49 1.17 -0.21 1.38 4.19 0.77 -3.93 117.16 116.05 2crp n TYR 140 Ca 0.34 0.31 0.22 0.00 3.31 0.00 0.00 57.90 62.09 2crp n TYR 140 Cb 1.31 -1.14 0.59 0.00 0.49 0.00 0.00 39.34 40.59 2crp n TYR 140 CO 0.00 0.00 0.00 1.96 0.91 0.00 0.00 176.86 179.73 2crp h GLN 141 N -0.24 0.24 0.00 2.98 1.08 0.33 0.61 115.11 120.11 2crp h GLN 141 Ca -0.41 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 56.71 2crp h GLN 141 Cb 1.83 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 29.20 2crp h GLN 141 CO -0.00 0.16 -0.30 1.05 -0.95 0.00 0.00 178.83 178.79 2crp h GLU 142 N 0.25 0.00 -0.14 1.46 4.11 -0.99 0.55 114.58 119.82 2crp h GLU 142 Ca 0.45 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.71 2crp h GLU 142 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2crp h GLU 142 CO -0.11 0.30 -0.60 -0.07 0.07 0.00 0.00 179.01 178.59 2crp h LEU 143 N 0.00 0.53 0.02 3.06 3.38 0.10 -1.33 115.31 121.06 2crp h LEU 143 Ca -0.00 -0.30 -0.40 0.00 0.09 0.00 0.00 57.88 57.27 2crp h LEU 143 Cb 1.01 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 2crp h LEU 143 CO 0.04 1.00 -2.40 2.30 0.09 0.00 0.00 178.44 179.47 2crp n ILE 144 N -3.92 1.53 -0.20 1.22 -5.35 -1.01 -4.47 119.36 107.16 2crp n ILE 144 Ca -0.03 -0.54 -0.09 0.00 -0.27 0.00 0.00 62.75 61.82 2crp n ILE 144 Cb 0.63 -1.55 0.02 0.00 -1.74 0.00 0.00 39.64 37.00 2crp n ILE 144 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2crp h SER 145 N -0.17 0.95 -1.58 7.28 4.64 -0.02 -3.44 113.55 121.21 2crp h SER 145 Ca -0.57 -0.29 -0.49 0.00 -0.47 0.00 0.00 61.79 59.96 2crp h SER 145 Cb 1.86 -0.25 0.25 0.00 -0.31 0.00 0.00 62.40 63.94 2crp h SER 145 CO -0.12 1.00 -2.09 0.61 -0.87 0.00 0.00 176.83 175.36 2crp n GLY 146 N -0.45 -3.01 3.57 -0.77 0.00 -0.50 -4.68 105.19 99.35 2crp n GLY 146 Ca 0.02 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.47 2.53 0.20 1.61 0.04 -1.26 -4.39 135.00 131.26 2crp s PRO 147 Ca 0.43 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.79 2crp s PRO 147 Cb -0.00 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.40 2crp s PRO 147 CO 0.68 -3.64 0.00 0.43 0.04 0.00 0.00 177.00 174.51 2crp n SER 148 N 14.13 0.28 -3.61 6.66 7.64 -1.26 -5.13 113.62 132.33 2crp n SER 148 Ca 0.42 0.33 -0.03 0.00 1.01 0.00 0.00 58.87 60.61 2crp n SER 148 Cb 0.47 0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.78 2crp n SER 148 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crp s SER 149 N -5.34 -0.14 0.00 6.43 0.15 -1.26 -4.81 113.70 108.73 2crp s SER 149 Ca 0.00 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2crp s SER 149 Cb 0.00 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2crp s SER 149 CO 0.00 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.70