#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crr s SER 2 N 0.00 -0.74 -0.86 1.61 0.15 -1.26 -5.11 113.70 107.50 2crr s SER 2 Ca 0.00 1.04 -0.18 0.00 0.70 0.00 0.00 55.95 57.51 2crr s SER 2 Cb 0.00 1.79 0.14 0.00 -1.71 0.00 0.00 66.02 66.24 2crr s SER 2 CO 0.00 -0.15 0.99 -0.94 1.20 0.00 0.00 173.24 174.35 2crr s SER 3 N 2.44 6.59 0.10 5.45 1.04 -1.26 -4.99 113.70 123.07 2crr s SER 3 Ca -0.04 -2.07 0.00 0.00 0.48 0.00 0.00 55.95 54.32 2crr s SER 3 Cb -0.07 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2crr s SER 3 CO -0.18 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.67 2crr n GLY 4 N 5.12 0.99 3.13 7.32 0.00 -1.26 -4.70 105.19 115.80 2crr n GLY 4 Ca 0.17 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 2crr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crr s SER 5 N -4.00 1.67 -0.47 1.61 0.01 -1.26 -5.11 113.70 106.15 2crr s SER 5 Ca 0.00 -0.38 -0.21 0.00 1.31 0.00 0.00 55.95 56.67 2crr s SER 5 Cb 0.00 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.13 2crr s SER 5 CO 0.00 0.09 0.70 -0.44 0.41 0.00 0.00 173.24 174.00 2crr s SER 6 N -0.84 6.32 -0.38 2.44 0.01 -1.26 -4.85 113.70 115.14 2crr s SER 6 Ca 0.03 -0.41 0.05 0.00 1.31 0.00 0.00 55.95 56.93 2crr s SER 6 Cb -0.07 -2.34 0.30 0.00 0.21 0.00 0.00 66.02 64.12 2crr s SER 6 CO 0.01 -0.88 1.26 0.61 0.41 0.00 0.00 173.24 174.64 2crr n GLY 7 N 5.06 -0.36 3.41 3.44 0.00 -1.26 -5.12 105.19 110.37 2crr n GLY 7 Ca -0.01 0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 2crr n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crr s LYS 8 N 0.14 2.97 -0.11 1.61 3.01 -1.26 -4.97 119.74 121.13 2crr s LYS 8 Ca 0.19 -0.99 -0.05 0.00 -1.01 0.00 0.00 55.97 54.11 2crr s LYS 8 Cb 0.28 -3.75 -0.02 0.00 -1.01 0.00 0.00 37.83 33.34 2crr s LYS 8 CO -0.12 -0.65 -0.11 0.00 0.51 0.00 0.00 175.35 174.99 2crr h ALA 9 N 8.45 0.00 -1.10 5.17 0.00 -2.01 -3.28 119.26 126.50 2crr h ALA 9 Ca -0.27 -0.33 0.32 0.00 0.00 0.00 0.00 54.91 54.63 2crr h ALA 9 Cb 1.12 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2crr h ALA 9 CO 0.67 0.30 0.88 -0.56 0.00 0.00 0.00 179.25 180.54 2crr h GLN 10 N -0.82 0.00 0.47 0.00 -0.00 -1.96 -0.55 115.11 112.25 2crr h GLN 10 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 2crr h GLN 10 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 2crr h GLN 10 CO 0.00 0.00 -0.23 -0.22 -0.00 0.00 0.00 178.83 178.38 2crr h LYS 11 N 0.00 -0.61 -0.70 0.06 1.63 -1.99 -3.26 116.57 111.71 2crr h LYS 11 Ca 0.52 0.04 0.14 0.00 -0.85 0.00 0.00 60.65 60.50 2crr h LYS 11 Cb 2.29 0.14 -0.13 0.00 -0.60 0.00 0.00 32.23 33.92 2crr h LYS 11 CO -0.01 -0.33 -0.18 -0.11 -3.45 0.00 0.00 179.45 175.37 2crr n LEU 12 N -5.21 -0.26 -4.64 5.20 0.00 -0.22 -4.36 117.00 107.52 2crr n LEU 12 Ca -0.09 1.21 -0.46 0.00 0.00 0.00 0.00 56.01 56.67 2crr n LEU 12 Cb 0.28 -0.36 -0.03 0.00 0.00 0.00 0.00 43.42 43.31 2crr n LEU 12 CO 0.24 -1.16 0.88 0.59 0.00 0.00 0.00 177.39 177.94 2crr n ASN 13 N -5.14 2.20 -4.47 1.96 4.13 -1.21 -4.89 115.26 107.84 2crr n ASN 13 Ca 0.11 1.15 -0.43 0.00 1.68 0.00 0.00 54.58 57.09 2crr n ASN 13 Cb 0.35 -1.35 -0.03 0.00 -1.54 0.00 0.00 39.78 37.21 2crr n ASN 13 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2crr s GLU 14 N -0.57 3.53 -0.05 3.52 -1.05 -1.26 -4.96 118.70 117.86 2crr s GLU 14 Ca 0.68 -1.54 -0.02 0.00 -0.15 0.00 0.00 54.97 53.95 2crr s GLU 14 Cb -0.71 -4.88 0.03 0.00 -0.44 0.00 0.00 34.13 28.13 2crr s GLU 14 CO 0.52 -1.84 0.05 -1.14 0.95 0.00 0.00 175.26 173.79 2crr s GLN 15 N 3.21 0.08 0.04 -4.83 2.00 -1.26 -5.05 119.66 113.85 2crr s GLN 15 Ca 0.33 0.31 -0.29 0.00 -2.00 0.00 0.00 55.36 53.71 2crr s GLN 15 Cb -0.06 -0.63 -0.17 0.00 0.80 0.00 0.00 33.01 32.95 2crr s GLN 15 CO -0.07 -0.33 1.43 0.45 -0.50 0.00 0.00 175.29 176.27 2crr h HIS 16 N 8.41 -0.70 -0.92 1.67 3.86 -1.97 -2.60 115.15 122.90 2crr h HIS 16 Ca -0.14 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.20 2crr h HIS 16 Cb 1.12 0.23 -0.15 0.00 1.06 0.00 0.00 27.41 29.67 2crr h HIS 16 CO 0.48 -0.39 -0.40 1.96 0.86 0.00 0.00 177.93 180.45 2crr h GLN 17 N -0.91 -0.03 -0.02 2.45 1.08 -1.95 0.82 115.11 116.55 2crr h GLN 17 Ca -0.08 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 2crr h GLN 17 Cb 0.63 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.03 2crr h GLN 17 CO 0.13 -0.02 -0.23 1.25 -0.95 0.00 0.00 178.83 179.00 2crr h LEU 18 N -0.04 -0.69 -0.34 1.46 5.85 -1.98 -2.97 115.31 116.59 2crr h LEU 18 Ca 0.31 0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.17 2crr h LEU 18 Cb 0.58 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 2crr h LEU 18 CO -0.93 -0.30 -0.33 0.40 -0.34 0.00 0.00 178.44 176.95 2crr h ILE 19 N -0.36 0.00 -0.93 4.05 2.04 -0.46 0.93 117.51 122.78 2crr h ILE 19 Ca 0.07 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.20 2crr h ILE 19 Cb 0.45 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.36 2crr h ILE 19 CO -0.22 0.00 0.10 0.18 0.00 0.00 0.00 178.15 178.20 2crr n LEU 20 N -4.25 -0.04 -0.09 1.44 4.77 -0.78 0.11 117.00 118.16 2crr n LEU 20 Ca -0.01 1.57 -0.10 0.00 -0.03 0.00 0.00 56.01 57.44 2crr n LEU 20 Cb 0.18 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 2crr n LEU 20 CO -0.03 -1.62 0.87 -1.28 -1.33 0.00 0.00 177.39 174.01 2crr h SER 21 N 0.00 0.38 -1.00 -1.43 0.87 -0.73 -2.72 113.55 108.91 2crr h SER 21 Ca 0.60 -0.18 0.19 0.00 -1.23 0.00 0.00 61.79 61.17 2crr h SER 21 Cb 1.31 -0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 63.07 2crr h SER 21 CO -0.85 0.45 0.61 0.11 -0.53 0.00 0.00 176.83 176.63 2crr h LYS 22 N 0.28 0.74 0.33 2.24 6.56 0.21 -1.62 116.57 125.31 2crr h LYS 22 Ca 0.09 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.62 2crr h LYS 22 Cb 0.20 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 2crr h LYS 22 CO -0.01 0.49 -0.16 -0.07 -2.06 0.00 0.00 179.45 177.65 2crr h LEU 23 N 0.76 -0.38 -0.97 2.94 3.38 -1.06 -2.94 115.31 117.05 2crr h LEU 23 Ca 0.57 -0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.65 2crr h LEU 23 Cb 0.89 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 2crr h LEU 23 CO -0.37 -0.15 0.56 -0.07 0.09 0.00 0.00 178.44 178.50 2crr h LEU 24 N -0.60 0.69 -0.99 1.67 3.38 -1.09 0.59 115.31 118.96 2crr h LEU 24 Ca -0.05 0.11 0.22 0.00 0.09 0.00 0.00 57.88 58.25 2crr h LEU 24 Cb 0.44 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.06 2crr h LEU 24 CO 0.08 0.22 0.58 0.03 0.09 0.00 0.00 178.44 179.44 2crr h ARG 25 N 0.69 0.62 -6.89 1.13 3.08 -1.15 -3.03 114.38 108.83 2crr h ARG 25 Ca 0.56 -0.04 -0.53 0.00 0.07 0.00 0.00 59.98 60.04 2crr h ARG 25 Cb 0.90 -0.14 0.10 0.00 0.08 0.00 0.00 29.97 30.91 2crr h ARG 25 CO -0.40 0.41 0.82 -1.21 -1.07 0.00 0.00 179.97 178.52 2crr s GLU 26 N -5.83 4.12 0.41 0.04 0.41 0.20 -4.75 118.70 113.30 2crr s GLU 26 Ca -0.11 2.56 0.16 0.00 -0.41 0.00 0.00 54.97 57.18 2crr s GLU 26 Cb 0.26 -2.99 1.05 0.00 -1.78 0.00 0.00 34.13 30.66 2crr s GLU 26 CO 0.80 -0.56 1.85 0.93 -0.49 0.00 0.00 175.26 177.78 2crr h GLU 27 N 3.75 0.43 0.00 1.61 5.08 -1.85 0.42 114.58 124.02 2crr h GLU 27 Ca -0.49 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2crr h GLU 27 Cb 1.23 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2crr h GLU 27 CO 0.70 0.29 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.54 2crr h ASP 28 N 0.45 0.00 0.00 1.42 3.32 -1.89 -2.28 116.42 117.44 2crr h ASP 28 Ca 0.48 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 2crr h ASP 28 Cb 1.13 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 2crr h ASP 28 CO -0.19 0.02 -0.53 0.59 -1.72 0.00 0.00 179.24 177.41 2crr n ASN 29 N -4.38 1.67 0.15 6.45 4.13 0.13 -4.63 115.26 118.77 2crr n ASN 29 Ca -0.03 -3.75 0.11 0.00 1.68 0.00 0.00 54.58 52.59 2crr n ASN 29 Cb 0.10 -0.51 0.06 0.00 -1.54 0.00 0.00 39.78 37.90 2crr n ASN 29 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2crr h LYS 30 N 0.98 0.00 -4.14 3.52 1.79 -0.37 -3.38 116.57 114.97 2crr h LYS 30 Ca -0.02 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.33 2crr h LYS 30 Cb 1.07 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.56 2crr h LYS 30 CO 0.01 0.05 -0.63 0.71 -1.08 0.00 0.00 179.45 178.50 2crr s TYR 31 N -3.26 0.43 1.00 -1.35 2.02 -1.26 -3.68 117.35 111.25 2crr s TYR 31 Ca 0.03 -0.93 -0.17 0.00 -0.37 0.00 0.00 57.07 55.62 2crr s TYR 31 Cb 0.08 -0.32 -0.13 0.00 -0.40 0.00 0.00 41.96 41.19 2crr s TYR 31 CO 0.74 -0.39 -0.74 0.00 -1.57 0.00 0.00 175.55 173.60 2crr n ALA 33 N -2.71 2.48 0.06 0.00 0.00 -1.06 -3.06 120.51 116.22 2crr n ALA 33 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2crr n ALA 33 Cb 0.57 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2crr n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2crr n ASP 34 N 0.87 0.27 -1.34 0.00 8.00 -1.26 -4.83 116.55 118.26 2crr n ASP 34 Ca 0.17 0.21 0.12 0.00 0.71 0.00 0.00 54.79 56.00 2crr n ASP 34 Cb 0.47 0.04 0.32 0.00 -0.02 0.00 0.00 41.12 41.92 2crr n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crr n GLU 36 N 1.63 -1.93 -1.73 0.00 0.28 -1.17 -4.80 120.64 112.91 2crr n GLU 36 Ca 0.24 0.07 -0.38 0.00 -0.16 0.00 0.00 57.16 56.93 2crr n GLU 36 Cb 0.61 -4.61 0.05 0.00 1.43 0.00 0.00 31.44 28.93 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2crr n ALA 37 N -3.24 1.38 -2.59 -1.84 0.00 -1.26 -4.25 120.51 108.70 2crr n ALA 37 Ca 0.06 0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 2crr n ALA 37 Cb 0.48 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 2crr n ALA 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2crr s LYS 38 N -3.07 3.70 0.00 0.00 2.47 -1.26 -1.53 119.74 120.04 2crr s LYS 38 Ca 0.76 0.41 0.00 0.00 -1.56 0.00 0.00 55.97 55.59 2crr s LYS 38 Cb -0.40 -3.87 0.00 0.00 -1.46 0.00 0.00 37.83 32.10 2crr s LYS 38 CO 0.46 -1.13 0.00 0.41 0.16 0.00 0.00 175.35 175.25 2crr n GLY 39 N 4.67 0.67 3.57 5.54 0.00 -1.24 -4.97 105.19 113.42 2crr n GLY 39 Ca 0.08 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 2crr n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crr n PRO 40 N -0.42 1.60 0.00 1.61 -0.04 -1.26 -4.83 135.00 131.67 2crr n PRO 40 Ca 0.00 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 2crr n PRO 40 Cb 0.17 -3.72 0.00 0.00 -0.04 0.00 0.00 33.50 29.91 2crr n PRO 40 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2crr n ARG 41 N 8.25 0.00 -0.90 0.54 3.00 -1.26 -4.48 116.66 121.80 2crr n ARG 41 Ca 0.45 0.23 -0.36 0.00 -0.00 0.00 0.00 57.85 58.16 2crr n ARG 41 Cb 0.46 -1.11 0.07 0.00 0.00 0.00 0.00 32.46 31.89 2crr n ARG 41 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2crr n TRP 42 N -0.97 -1.97 -3.56 -0.14 7.02 -1.15 -4.57 117.44 112.11 2crr n TRP 42 Ca 0.00 0.40 -0.14 0.00 -1.02 0.00 0.00 57.50 56.74 2crr n TRP 42 Cb 0.00 -1.46 -0.06 0.00 -2.42 0.00 0.00 31.31 27.37 2crr n TRP 42 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2crr s ALA 43 N -2.09 -1.86 -0.36 6.99 0.00 -1.24 -2.48 121.76 120.73 2crr s ALA 43 Ca 0.43 1.50 -0.09 0.00 0.00 0.00 0.00 51.96 53.80 2crr s ALA 43 Cb -0.02 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.69 2crr s ALA 43 CO 0.69 -0.33 0.16 0.45 0.00 0.00 0.00 175.76 176.72 2crr s SER 44 N -1.04 5.52 -0.02 0.00 0.15 0.36 -3.52 113.70 115.15 2crr s SER 44 Ca -0.06 -1.06 -0.21 0.00 0.70 0.00 0.00 55.95 55.33 2crr s SER 44 Cb -0.01 -1.95 -0.13 0.00 -1.71 0.00 0.00 66.02 62.22 2crr s SER 44 CO 0.05 -0.35 0.91 4.11 1.20 0.00 0.00 173.24 179.15 2crr h TRP 45 N 8.33 -0.45 -0.75 3.44 5.08 -1.83 0.36 115.95 130.13 2crr h TRP 45 Ca -0.25 -0.01 0.19 0.00 1.08 0.00 0.00 58.89 59.90 2crr h TRP 45 Cb 1.09 0.15 -0.14 0.00 -3.00 0.00 0.00 29.16 27.26 2crr h TRP 45 CO 0.58 -0.14 -0.04 -1.71 -1.28 0.00 0.00 178.44 175.85 2crr n ASN 46 N -5.12 -0.14 -0.06 0.11 5.15 -1.26 -0.57 115.26 113.36 2crr n ASN 46 Ca -0.08 1.28 -0.19 0.00 -0.60 0.00 0.00 54.58 54.99 2crr n ASN 46 Cb 0.26 -0.44 -0.13 0.00 -0.53 0.00 0.00 39.78 38.94 2crr n ASN 46 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2crr h ILE 47 N 0.00 1.29 0.00 -1.44 2.04 -1.87 -3.49 117.51 114.03 2crr h ILE 47 Ca 0.43 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.99 2crr h ILE 47 Cb 0.83 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 2crr h ILE 47 CO -0.72 0.51 0.00 0.61 0.00 0.00 0.00 178.15 178.55 2crr n GLY 48 N 1.56 1.01 3.00 5.37 0.00 0.12 -4.76 105.19 111.49 2crr n GLY 48 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 2crr n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crr s VAL 49 N -2.00 0.09 -0.19 1.61 -7.23 -0.74 -1.39 120.40 110.55 2crr s VAL 49 Ca 0.00 -0.76 -0.18 0.00 -1.81 0.00 0.00 61.98 59.22 2crr s VAL 49 Cb 0.00 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.63 2crr s VAL 49 CO 0.00 -0.42 0.51 -0.36 -0.31 0.00 0.00 175.10 174.52 2crr s PHE 50 N -1.29 3.39 0.17 2.82 0.08 -1.26 -0.49 117.98 121.40 2crr s PHE 50 Ca -0.14 0.78 0.06 0.00 0.12 0.00 0.00 56.93 57.75 2crr s PHE 50 Cb -0.08 -2.65 -0.04 0.00 -0.57 0.00 0.00 43.02 39.67 2crr s PHE 50 CO -0.00 -0.07 -0.13 0.96 -0.10 0.00 0.00 175.22 175.88 2crr s ILE 51 N 1.51 1.48 0.53 0.64 -4.36 -1.04 -2.56 121.20 117.41 2crr s ILE 51 Ca 0.24 -2.09 -0.09 0.00 -0.26 0.00 0.00 60.65 58.45 2crr s ILE 51 Cb -0.15 -1.90 0.13 0.00 1.25 0.00 0.00 42.46 41.78 2crr s ILE 51 CO 0.10 -0.62 0.56 0.00 0.24 0.00 0.00 174.94 175.22 2crr h ILE 53 N -1.80 0.06 0.25 0.00 2.10 -1.92 -2.99 117.51 113.21 2crr h ILE 53 Ca -0.20 -0.96 -0.01 0.00 1.08 0.00 0.00 64.86 64.77 2crr h ILE 53 Cb 0.58 1.91 0.00 0.00 -1.09 0.00 0.00 36.82 38.22 2crr h ILE 53 CO 0.13 0.03 -0.12 -0.09 -1.08 0.00 0.00 178.15 177.02 2crr h ARG 54 N 0.00 -0.32 -0.81 2.19 1.12 -2.02 -3.21 114.38 111.33 2crr h ARG 54 Ca -0.00 0.02 0.09 0.00 -1.11 0.00 0.00 59.98 58.98 2crr h ARG 54 Cb 0.91 0.07 -0.07 0.00 -0.01 0.00 0.00 29.97 30.87 2crr h ARG 54 CO 0.00 -0.20 0.47 0.00 -3.11 0.00 0.00 179.97 177.14 2crr h ALA 56 N 1.44 0.21 -0.93 0.00 0.00 -1.64 0.15 119.26 118.49 2crr h ALA 56 Ca 0.39 0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.72 2crr h ALA 56 Cb 0.33 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 18.52 2crr h ALA 56 CO -0.23 -0.52 0.45 0.78 0.00 0.00 0.00 179.25 179.72 2crr h GLY 57 N -0.08 1.66 2.00 0.00 0.00 -1.41 0.46 103.07 105.69 2crr h GLY 57 Ca 0.25 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 2crr h GLY 57 CO -0.58 -0.28 -0.54 -2.22 0.00 0.00 0.00 176.54 172.92 2crr h ILE 58 N 0.44 1.33 -0.03 2.60 5.03 -1.04 -3.19 117.51 122.65 2crr h ILE 58 Ca 0.59 -1.90 -0.01 0.00 -0.12 0.00 0.00 64.86 63.42 2crr h ILE 58 Cb 1.14 2.04 -0.00 0.00 -3.03 0.00 0.00 36.82 36.97 2crr h ILE 58 CO -0.52 0.53 -0.01 0.45 -0.68 0.00 0.00 178.15 177.93 2crr h HIS 59 N 0.00 0.06 -0.98 1.37 3.86 0.76 -3.06 115.15 117.15 2crr h HIS 59 Ca -0.01 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.36 2crr h HIS 59 Cb 1.00 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 29.35 2crr h HIS 59 CO 0.00 0.40 0.58 0.00 0.86 0.00 0.00 177.93 179.77 2crr h ARG 60 N -0.30 0.75 -0.06 2.45 3.08 -1.25 -1.43 114.38 117.62 2crr h ARG 60 Ca 0.01 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2crr h ARG 60 Cb 0.38 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2crr h ARG 60 CO 0.00 0.50 -0.06 -0.91 -1.07 0.00 0.00 179.97 178.43 2crr h ASN 61 N 0.77 -0.19 -0.90 7.04 2.35 -1.53 -3.00 115.58 120.13 2crr h ASN 61 Ca 0.55 0.04 0.09 0.00 -0.55 0.00 0.00 56.30 56.42 2crr h ASN 61 Cb 0.79 0.10 -0.11 0.00 0.05 0.00 0.00 38.32 39.15 2crr h ASN 61 CO -0.36 -0.09 -0.52 0.18 -1.65 0.00 0.00 177.43 174.99 2crr n LEU 62 N -5.19 -0.92 0.00 1.61 4.77 -0.54 -4.87 117.00 111.86 2crr n LEU 62 Ca -0.05 1.60 0.00 0.00 -0.03 0.00 0.00 56.01 57.54 2crr n LEU 62 Cb 0.11 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2crr n LEU 62 CO 0.28 -1.32 0.00 0.61 -1.33 0.00 0.00 177.39 175.63 2crr n GLY 63 N -1.24 4.35 0.60 -0.72 0.00 -1.13 -4.79 105.19 102.25 2crr n GLY 63 Ca 0.02 -0.67 0.43 0.00 0.00 0.00 0.00 46.02 45.80 2crr n GLY 63 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2crr h VAL 64 N 0.00 0.24 -0.10 1.61 -1.51 -1.78 1.28 116.25 115.98 2crr h VAL 64 Ca 0.00 -0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.28 2crr h VAL 64 Cb 0.00 0.23 -0.00 0.00 -2.13 0.00 0.00 31.29 29.39 2crr h VAL 64 CO 0.00 0.00 -0.71 1.12 -1.23 0.00 0.00 177.57 176.75 2crr h HIS 65 N 0.01 0.62 0.02 5.19 -0.00 -1.97 -3.33 115.15 115.68 2crr h HIS 65 Ca 0.72 -0.27 -0.00 0.00 -0.00 0.00 0.00 60.37 60.83 2crr h HIS 65 Cb 2.88 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 30.19 2crr h HIS 65 CO -0.00 1.02 -0.01 0.82 -0.00 0.00 0.00 177.93 179.76 2crr h ILE 66 N 0.32 1.28 -2.31 6.12 2.04 0.12 -3.47 117.51 121.61 2crr h ILE 66 Ca -0.03 -1.82 -0.05 0.00 1.00 0.00 0.00 64.86 63.96 2crr h ILE 66 Cb 1.29 2.35 -0.23 0.00 -0.74 0.00 0.00 36.82 39.49 2crr h ILE 66 CO 0.13 0.41 -0.11 -0.55 0.00 0.00 0.00 178.15 178.03 2crr s SER 67 N -5.94 -0.72 -0.21 1.72 0.15 0.04 -4.91 113.70 103.84 2crr s SER 67 Ca -0.14 1.21 -0.10 0.00 0.70 0.00 0.00 55.95 57.62 2crr s SER 67 Cb -0.02 1.12 -0.05 0.00 -1.71 0.00 0.00 66.02 65.36 2crr s SER 67 CO 0.52 -0.21 0.13 -0.13 1.20 0.00 0.00 173.24 174.75 2crr s ARG 68 N 1.25 4.17 -0.07 5.44 1.81 -1.26 -4.12 118.95 126.16 2crr s ARG 68 Ca -0.08 -0.23 0.01 0.00 -1.72 0.00 0.00 55.73 53.71 2crr s ARG 68 Cb -0.06 -3.44 -0.03 0.00 -0.45 0.00 0.00 34.95 30.97 2crr s ARG 68 CO -0.13 0.26 -0.07 0.08 -0.68 0.00 0.00 175.30 174.77 2crr s VAL 69 N 0.48 3.72 -0.29 3.52 1.01 -1.26 -3.84 120.40 123.74 2crr s VAL 69 Ca 0.08 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 2crr s VAL 69 Cb -0.11 -2.52 0.17 0.00 0.00 0.00 0.00 36.38 33.91 2crr s VAL 69 CO -0.01 0.60 1.08 -1.59 0.00 0.00 0.00 175.10 175.17 2crr s LYS 70 N -0.77 0.27 1.01 2.72 -2.85 -1.23 -5.04 119.74 113.84 2crr s LYS 70 Ca 0.12 0.46 -0.20 0.00 -1.00 0.00 0.00 55.97 55.35 2crr s LYS 70 Cb -0.11 0.06 -0.09 0.00 -2.06 0.00 0.00 37.83 35.63 2crr s LYS 70 CO 0.01 -0.06 -0.67 0.45 0.10 0.00 0.00 175.35 175.18 2crr n SER 71 N 3.44 -3.83 -0.06 0.03 2.88 -1.26 -3.98 113.62 110.85 2crr n SER 71 Ca -0.18 0.10 -0.21 0.00 -1.33 0.00 0.00 58.87 57.25 2crr n SER 71 Cb 0.57 -0.80 -0.13 0.00 -0.75 0.00 0.00 64.21 63.11 2crr n SER 71 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2crr h VAL 72 N -1.28 0.94 0.00 2.46 2.07 -1.86 -3.37 116.25 115.22 2crr h VAL 72 Ca -0.44 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 64.82 2crr h VAL 72 Cb 1.34 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 2crr h VAL 72 CO 0.27 0.52 -0.36 -3.20 0.02 0.00 0.00 177.57 174.82 2crr n ASN 73 N -4.17 0.85 -0.56 0.57 5.15 -1.26 -4.39 115.26 111.46 2crr n ASN 73 Ca -0.29 0.27 0.44 0.00 -0.60 0.00 0.00 54.58 54.39 2crr n ASN 73 Cb 0.78 -0.63 0.70 0.00 -0.53 0.00 0.00 39.78 40.10 2crr n ASN 73 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2crr n LEU 74 N -3.36 0.10 -4.95 1.20 4.77 -1.26 -4.31 117.00 109.19 2crr n LEU 74 Ca -0.05 1.12 -0.20 0.00 -0.03 0.00 0.00 56.01 56.84 2crr n LEU 74 Cb 0.19 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 2crr n LEU 74 CO 0.08 -1.17 -0.01 -0.62 -1.33 0.00 0.00 177.39 174.33 2crr s ASP 75 N -4.08 5.95 0.44 -1.43 2.15 -1.26 -5.03 116.67 113.42 2crr s ASP 75 Ca -0.06 -0.15 -0.05 0.00 0.43 0.00 0.00 52.55 52.72 2crr s ASP 75 Cb 0.27 -1.41 -0.04 0.00 -0.30 0.00 0.00 42.92 41.44 2crr s ASP 75 CO 0.80 -0.27 0.74 0.00 -0.17 0.00 0.00 175.17 176.27 2crr s GLN 76 N -4.06 3.57 0.00 4.34 -2.07 -1.26 -4.76 119.66 115.42 2crr s GLN 76 Ca 0.40 0.15 -0.08 0.00 -1.82 0.00 0.00 55.36 54.01 2crr s GLN 76 Cb -0.09 -2.43 0.00 0.00 -1.09 0.00 0.00 33.01 29.40 2crr s GLN 76 CO 0.29 -0.11 0.15 -1.58 -1.32 0.00 0.00 175.29 172.72 2crr s TRP 77 N -2.60 0.02 0.19 9.60 0.52 -1.26 -5.04 118.94 120.37 2crr s TRP 77 Ca 0.47 -0.09 0.09 0.00 0.02 0.00 0.00 56.10 56.58 2crr s TRP 77 Cb -0.10 -0.03 -0.04 0.00 -1.15 0.00 0.00 33.47 32.14 2crr s TRP 77 CO 0.41 -0.29 -0.18 0.95 0.02 0.00 0.00 176.95 177.86 2crr s THR 78 N -1.36 1.88 0.26 2.01 -4.23 -1.26 -5.00 115.64 107.94 2crr s THR 78 Ca -0.14 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 58.23 2crr s THR 78 Cb -0.07 -1.96 0.37 0.00 1.34 0.00 0.00 72.50 72.18 2crr s THR 78 CO 0.02 -0.40 1.59 0.00 -0.54 0.00 0.00 174.62 175.29 2crr h ALA 79 N 2.95 0.68 -0.73 3.99 0.00 -2.02 0.36 119.26 124.49 2crr h ALA 79 Ca -0.41 0.33 0.16 0.00 0.00 0.00 0.00 54.91 54.99 2crr h ALA 79 Cb 1.22 0.62 -0.13 0.00 0.00 0.00 0.00 17.79 19.50 2crr h ALA 79 CO 0.55 -0.42 0.01 0.93 0.00 0.00 0.00 179.25 180.32 2crr h GLU 80 N 0.01 0.11 -0.11 0.00 4.39 -2.00 0.15 114.58 117.12 2crr h GLU 80 Ca 0.44 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.94 2crr h GLU 80 Cb 0.72 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2crr h GLU 80 CO -0.87 0.07 -0.67 1.96 -1.16 0.00 0.00 179.01 178.35 2crr h GLN 81 N 0.11 0.66 0.38 2.33 4.20 -0.85 -3.26 115.11 118.69 2crr h GLN 81 Ca 0.40 -0.55 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2crr h GLN 81 Cb 0.69 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 2crr h GLN 81 CO -0.64 1.17 -0.51 0.82 -0.67 0.00 0.00 178.83 179.01 2crr h ILE 82 N 0.32 0.02 -0.86 2.54 1.08 0.84 -2.43 117.51 119.03 2crr h ILE 82 Ca -0.05 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.61 2crr h ILE 82 Cb 1.31 0.02 -0.16 0.00 -3.07 0.00 0.00 36.82 34.92 2crr h ILE 82 CO 0.14 0.00 -0.13 -0.61 -0.69 0.00 0.00 178.15 176.85 2crr h GLN 83 N -0.92 0.02 -0.02 2.37 5.75 -0.90 -0.40 115.11 121.01 2crr h GLN 83 Ca -0.04 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2crr h GLN 83 Cb 0.83 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.32 2crr h GLN 83 CO -0.13 0.01 -0.48 0.00 -2.65 0.00 0.00 178.83 175.58 2crr n MET 85 N -5.46 -0.12 -0.00 0.00 2.81 -0.17 -0.25 117.12 113.93 2crr n MET 85 Ca -0.06 1.38 -0.13 0.00 -1.81 0.00 0.00 57.70 57.08 2crr n MET 85 Cb 0.39 -2.06 -0.10 0.00 -0.71 0.00 0.00 33.22 30.73 2crr n MET 85 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2crr h GLN 86 N 0.00 -0.02 -0.22 0.03 7.50 -1.23 0.16 115.11 121.33 2crr h GLN 86 Ca 0.39 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.58 2crr h GLN 86 Cb 0.61 0.01 -0.07 0.00 0.05 0.00 0.00 27.48 28.08 2crr h GLN 86 CO -0.91 0.45 -0.53 -0.44 -1.50 0.00 0.00 178.83 175.90 2crr h ASP 87 N -0.50 -1.72 0.00 1.46 3.32 0.24 -3.33 116.42 115.89 2crr h ASP 87 Ca -0.00 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2crr h ASP 87 Cb 0.48 0.68 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2crr h ASP 87 CO 0.00 -0.44 0.00 0.80 -1.72 0.00 0.00 179.24 177.88 2crr n MET 88 N -5.31 0.00 -1.02 3.56 1.56 0.66 -4.94 117.12 111.62 2crr n MET 88 Ca -0.05 0.31 0.13 0.00 -0.27 0.00 0.00 57.70 57.82 2crr n MET 88 Cb 0.35 -0.86 -0.05 0.00 2.15 0.00 0.00 33.22 34.82 2crr n MET 88 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2crr n GLY 89 N 1.90 -2.33 0.25 -5.12 0.00 0.58 -3.58 105.19 96.89 2crr n GLY 89 Ca 0.00 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 2crr n GLY 89 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2crr h ASN 90 N -0.97 0.75 -0.06 1.61 4.21 -1.85 -2.68 115.58 116.59 2crr h ASN 90 Ca -0.05 -0.32 0.01 0.00 1.21 0.00 0.00 56.30 57.15 2crr h ASN 90 Cb 0.95 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.94 2crr h ASN 90 CO 0.03 1.03 -0.07 0.74 -1.29 0.00 0.00 177.43 177.87 2crr h THR 91 N 0.60 0.00 -0.56 2.81 2.02 -1.82 -0.62 112.91 115.34 2crr h THR 91 Ca 0.06 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.26 2crr h THR 91 Cb 0.87 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2crr h THR 91 CO 0.08 0.00 0.36 0.11 0.37 0.00 0.00 175.52 176.43 2crr h LYS 92 N -0.05 0.70 -0.98 6.66 1.57 -1.65 -2.31 116.57 120.52 2crr h LYS 92 Ca 0.01 -0.04 0.31 0.00 -1.87 0.00 0.00 60.65 59.06 2crr h LYS 92 Cb 0.07 -0.16 -0.15 0.00 0.08 0.00 0.00 32.23 32.07 2crr h LYS 92 CO -0.08 0.46 0.48 0.00 -0.57 0.00 0.00 179.45 179.74 2crr h ALA 93 N 1.23 1.81 -0.07 3.86 0.00 -1.04 0.58 119.26 125.63 2crr h ALA 93 Ca 0.22 0.21 -0.23 0.00 0.00 0.00 0.00 54.91 55.11 2crr h ALA 93 Cb -0.03 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2crr h ALA 93 CO -0.07 -0.60 -0.89 0.00 0.00 0.00 0.00 179.25 177.69 2crr h ARG 94 N 0.25 0.65 0.00 0.00 3.08 -0.58 0.13 114.38 117.91 2crr h ARG 94 Ca 0.71 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2crr h ARG 94 Cb 1.61 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.82 2crr h ARG 94 CO -0.65 1.22 0.00 1.28 -1.07 0.00 0.00 179.97 180.75 2crr n LEU 95 N -3.86 0.00 0.00 3.04 4.77 0.16 -2.21 117.00 118.90 2crr n LEU 95 Ca -0.08 0.14 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2crr n LEU 95 Cb 0.80 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2crr n LEU 95 CO 0.53 -0.03 -0.03 -0.11 -1.33 0.00 0.00 177.39 176.43 2crr n LEU 96 N -1.14 0.20 0.09 2.23 -0.00 0.11 -4.53 117.00 113.97 2crr n LEU 96 Ca 0.16 0.03 -0.12 0.00 -0.00 0.00 0.00 56.01 56.07 2crr n LEU 96 Cb 0.14 -0.19 -0.08 0.00 -0.00 0.00 0.00 43.42 43.29 2crr n LEU 96 CO 0.17 -0.52 0.53 1.88 -0.00 0.00 0.00 177.39 179.45 2crr h TYR 97 N -0.04 -0.25 -0.40 1.96 -1.99 -0.91 -2.11 116.97 113.23 2crr h TYR 97 Ca 0.00 -0.01 -0.26 0.00 2.00 0.00 0.00 58.73 60.46 2crr h TYR 97 Cb 0.04 0.08 -0.12 0.00 2.00 0.00 0.00 36.73 38.74 2crr h TYR 97 CO -0.02 0.14 0.33 0.39 -0.00 0.00 0.00 178.16 179.00 2crr n GLU 98 N -5.02 1.64 -0.10 4.88 1.02 -0.98 -3.58 120.64 118.51 2crr n GLU 98 Ca -0.09 -1.30 -0.15 0.00 -0.02 0.00 0.00 57.16 55.61 2crr n GLU 98 Cb 0.26 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 2crr n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crr n ALA 99 N 0.37 1.42 -0.06 0.62 0.00 -0.94 -4.28 120.51 117.65 2crr n ALA 99 Ca 0.25 -1.14 0.05 0.00 0.00 0.00 0.00 53.44 52.60 2crr n ALA 99 Cb 0.66 -0.22 0.24 0.00 0.00 0.00 0.00 19.45 20.13 2crr n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2crr n ASN 100 N -3.08 3.69 -4.73 0.00 3.02 -1.22 -4.96 115.26 107.98 2crr n ASN 100 Ca -0.39 -2.49 -0.38 0.00 -0.03 0.00 0.00 54.58 51.29 2crr n ASN 100 Cb 1.06 -0.57 0.05 0.00 -0.61 0.00 0.00 39.78 39.70 2crr n ASN 100 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2crr n LEU 101 N 0.43 5.40 -4.77 3.41 4.77 -1.26 -4.87 117.00 120.11 2crr n LEU 101 Ca 0.17 0.94 -0.38 0.00 -0.03 0.00 0.00 56.01 56.70 2crr n LEU 101 Cb 0.77 -1.55 -0.02 0.00 -2.33 0.00 0.00 43.42 40.29 2crr n LEU 101 CO 0.19 -0.80 0.86 -2.16 -1.33 0.00 0.00 177.39 174.15 2crr s PRO 102 N -2.94 4.05 0.52 3.23 0.04 -1.26 -4.90 135.00 133.73 2crr s PRO 102 Ca 0.74 1.89 0.31 0.00 0.04 0.00 0.00 61.00 63.98 2crr s PRO 102 Cb -0.41 -2.70 1.44 0.00 0.04 0.00 0.00 34.50 32.87 2crr s PRO 102 CO 0.47 -0.34 1.84 1.05 0.04 0.00 0.00 177.00 180.07 2crr h GLU 103 N 2.67 0.07 -1.20 4.56 4.11 -2.01 0.16 114.58 122.94 2crr h GLU 103 Ca -0.49 -0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.31 2crr h GLU 103 Cb 1.24 -0.02 -0.37 0.00 0.50 0.00 0.00 28.75 30.10 2crr h GLU 103 CO 0.63 0.05 -0.05 0.27 0.07 0.00 0.00 179.01 179.97 2crr n ASN 104 N -4.29 6.02 -4.75 3.06 0.23 -1.26 -5.05 115.26 109.22 2crr n ASN 104 Ca 0.22 -3.77 -0.36 0.00 -0.53 0.00 0.00 54.58 50.15 2crr n ASN 104 Cb 1.05 -0.65 0.04 0.00 -2.08 0.00 0.00 39.78 38.14 2crr n ASN 104 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2crr s PHE 105 N -3.72 2.38 -0.12 -2.53 5.36 0.54 -5.04 117.98 114.86 2crr s PHE 105 Ca 0.54 1.52 -0.03 0.00 -0.96 0.00 0.00 56.93 58.00 2crr s PHE 105 Cb 0.44 -3.48 0.04 0.00 -0.34 0.00 0.00 43.02 39.68 2crr s PHE 105 CO -0.10 -2.22 0.05 0.50 -1.46 0.00 0.00 175.22 171.99 2crr s ARG 106 N -3.36 0.25 -0.13 10.12 3.52 -1.26 -5.05 118.95 123.04 2crr s ARG 106 Ca 0.77 0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 56.11 2crr s ARG 106 Cb -0.30 -1.31 -0.04 0.00 -1.56 0.00 0.00 34.95 31.73 2crr s ARG 106 CO 0.33 -0.49 1.59 0.50 -0.81 0.00 0.00 175.30 176.43 2crr s ARG 107 N 2.06 4.04 0.37 5.12 3.52 -1.26 -4.98 118.95 127.82 2crr s ARG 107 Ca 0.03 1.92 -0.27 0.00 -0.13 0.00 0.00 55.73 57.29 2crr s ARG 107 Cb -0.14 -3.98 -0.09 0.00 -1.56 0.00 0.00 34.95 29.18 2crr s ARG 107 CO -0.06 -1.00 1.20 -1.25 -0.81 0.00 0.00 175.30 173.38 2crr s PRO 108 N 4.22 4.21 -0.19 5.12 0.04 -1.26 -4.97 135.00 142.17 2crr s PRO 108 Ca 0.70 1.96 0.07 0.00 0.04 0.00 0.00 61.00 63.77 2crr s PRO 108 Cb -0.29 -2.86 -0.16 0.00 0.04 0.00 0.00 34.50 31.24 2crr s PRO 108 CO 0.27 -0.22 -0.09 0.94 0.04 0.00 0.00 177.00 177.94 2crr n GLN 109 N 0.43 0.86 -3.26 4.56 -0.06 -1.26 -4.75 117.38 113.91 2crr n GLN 109 Ca 0.02 0.07 -0.35 0.00 -2.00 0.00 0.00 57.00 54.75 2crr n GLN 109 Cb 0.45 -1.41 -0.06 0.00 -4.06 0.00 0.00 30.24 25.16 2crr n GLN 109 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2crr s THR 110 N -2.40 4.76 0.26 1.69 -4.23 -1.26 -4.93 115.64 109.52 2crr s THR 110 Ca -0.20 0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 61.20 2crr s THR 110 Cb 0.06 -3.73 0.24 0.00 1.34 0.00 0.00 72.50 70.41 2crr s THR 110 CO 0.55 0.12 1.86 -2.24 -0.54 0.00 0.00 174.62 174.37 2crr h ASP 111 N 3.16 0.92 -1.40 3.99 3.04 -1.97 -0.64 116.42 123.52 2crr h ASP 111 Ca -0.48 0.02 0.48 0.00 -3.24 0.00 0.00 57.03 53.80 2crr h ASP 111 Cb 1.19 -0.17 -0.14 0.00 -1.04 0.00 0.00 39.33 39.17 2crr h ASP 111 CO 0.66 0.57 0.90 -0.61 -2.04 0.00 0.00 179.24 178.73 2crr h GLN 112 N 1.05 0.02 0.00 4.15 5.75 -2.00 0.58 115.11 124.64 2crr h GLN 112 Ca 0.41 -0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.54 2crr h GLN 112 Cb 0.21 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 2crr h GLN 112 CO -0.19 0.01 -2.22 0.00 -2.65 0.00 0.00 178.83 173.79 2crr n ALA 113 N -2.54 1.17 -0.16 3.38 0.00 -0.71 -4.45 120.51 117.21 2crr n ALA 113 Ca 0.40 -1.03 -0.12 0.00 0.00 0.00 0.00 53.44 52.69 2crr n ALA 113 Cb 1.57 0.12 -0.09 0.00 0.00 0.00 0.00 19.45 21.05 2crr n ALA 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2crr h VAL 114 N -0.98 0.00 -0.90 0.00 2.07 -0.43 0.13 116.25 116.14 2crr h VAL 114 Ca -0.56 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.09 2crr h VAL 114 Cb 1.48 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.11 2crr h VAL 114 CO -0.34 0.00 -0.39 1.21 0.02 0.00 0.00 177.57 178.07 2crr n GLU 115 N -5.04 -0.26 0.26 1.57 0.00 0.13 -0.69 120.64 116.61 2crr n GLU 115 Ca -0.02 1.38 -0.16 0.00 0.00 0.00 0.00 57.16 58.36 2crr n GLU 115 Cb 0.29 -2.05 -0.08 0.00 0.00 0.00 0.00 31.44 29.60 2crr n GLU 115 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 2crr h PHE 116 N 0.00 -0.58 -0.93 4.31 0.04 -1.43 -1.93 116.94 116.41 2crr h PHE 116 Ca 0.27 -0.01 0.17 0.00 2.80 0.00 0.00 57.97 61.20 2crr h PHE 116 Cb 0.50 0.19 -0.17 0.00 2.20 0.00 0.00 35.95 38.67 2crr h PHE 116 CO -0.82 -0.31 -0.29 0.35 -0.60 0.00 0.00 178.31 176.64 2crr h PHE 117 N -0.72 -0.69 -0.75 -0.55 3.57 0.15 0.71 116.94 118.65 2crr h PHE 117 Ca -0.06 0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 2crr h PHE 117 Cb 0.53 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 2crr h PHE 117 CO -0.02 -0.40 0.24 0.82 -2.23 0.00 0.00 178.31 176.72 2crr h ILE 118 N -0.01 1.26 0.70 1.41 2.04 -0.94 0.26 117.51 122.23 2crr h ILE 118 Ca 0.41 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 2crr h ILE 118 Cb 0.65 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2crr h ILE 118 CO -0.95 0.36 -0.33 0.03 0.00 0.00 0.00 178.15 177.25 2crr h ARG 119 N 1.11 -0.90 0.00 2.37 3.08 0.10 -0.50 114.38 119.65 2crr h ARG 119 Ca 0.24 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2crr h ARG 119 Cb 0.30 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2crr h ARG 119 CO -0.01 -0.57 0.00 -0.25 -1.07 0.00 0.00 179.97 178.07 2crr n ASP 120 N -5.45 0.00 0.06 7.04 8.00 0.90 0.10 116.55 127.20 2crr n ASP 120 Ca -0.13 0.29 -0.22 0.00 0.71 0.00 0.00 54.79 55.44 2crr n ASP 120 Cb 0.39 -0.41 -0.15 0.00 -0.02 0.00 0.00 41.12 40.93 2crr n ASP 120 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2crr h LYS 121 N 0.00 0.37 0.00 -1.24 3.64 -0.07 -1.99 116.57 117.29 2crr h LYS 121 Ca 0.00 -0.63 -0.21 0.00 -1.27 0.00 0.00 60.65 58.54 2crr h LYS 121 Cb 0.26 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2crr h LYS 121 CO 0.00 1.29 -1.71 0.66 -2.27 0.00 0.00 179.45 177.41 2crr n TYR 122 N -3.56 0.00 0.30 1.91 4.02 -0.23 -3.78 117.16 115.81 2crr n TYR 122 Ca -0.25 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.47 2crr n TYR 122 Cb 1.07 -0.46 -0.08 0.00 -0.02 0.00 0.00 39.34 39.85 2crr n TYR 122 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2crr h GLU 123 N -0.42 -0.76 0.00 -0.72 4.22 0.56 -2.86 114.58 114.60 2crr h GLU 123 Ca -0.32 0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.16 2crr h GLU 123 Cb 1.30 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 2crr h GLU 123 CO -0.18 -0.50 -0.05 0.87 -2.18 0.00 0.00 179.01 176.96 2crr h LYS 124 N -0.79 0.00 -2.86 1.92 1.79 -1.51 -3.47 116.57 111.65 2crr h LYS 124 Ca -0.06 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.00 2crr h LYS 124 Cb 0.64 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 2crr h LYS 124 CO 0.06 0.04 -0.52 1.63 -1.08 0.00 0.00 179.45 179.58 2crr n LYS 125 N -3.11 -1.63 0.00 3.15 4.76 -1.08 -4.93 118.16 115.33 2crr n LYS 125 Ca 0.04 1.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.48 2crr n LYS 125 Cb 0.55 -5.63 0.00 0.00 -1.84 0.00 0.00 35.03 28.10 2crr n LYS 125 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2crr n LYS 126 N -2.95 0.00 0.30 1.97 5.02 -0.75 -2.39 118.16 119.36 2crr n LYS 126 Ca -0.24 0.45 0.19 0.00 -2.02 0.00 0.00 58.31 56.68 2crr n LYS 126 Cb 0.68 -1.26 0.95 0.00 -0.02 0.00 0.00 35.03 35.38 2crr n LYS 126 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2crr h TYR 127 N 0.00 0.00 -1.55 2.13 -1.99 -1.79 -3.44 116.97 110.33 2crr h TYR 127 Ca 0.00 0.00 -0.72 0.00 2.00 0.00 0.00 58.73 60.01 2crr h TYR 127 Cb 0.00 0.00 0.03 0.00 2.00 0.00 0.00 36.73 38.76 2crr h TYR 127 CO -0.11 0.02 0.66 0.98 -0.00 0.00 0.00 178.16 179.72 2crr n TYR 128 N -3.21 1.75 -3.38 4.88 9.36 -1.00 -3.44 117.16 122.11 2crr n TYR 128 Ca -0.02 0.63 -0.45 0.00 3.32 0.00 0.00 57.90 61.39 2crr n TYR 128 Cb 0.18 -2.38 -0.07 0.00 -0.63 0.00 0.00 39.34 36.44 2crr n TYR 128 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2crr s ASP 129 N 2.07 6.13 0.07 2.98 2.15 -0.80 -4.91 116.67 124.35 2crr s ASP 129 Ca 0.93 -1.50 -0.07 0.00 0.43 0.00 0.00 52.55 52.34 2crr s ASP 129 Cb -1.05 -2.18 -0.30 0.00 -0.30 0.00 0.00 42.92 39.09 2crr s ASP 129 CO 0.58 -0.71 1.11 0.07 -0.17 0.00 0.00 175.17 176.05 2crr h LYS 130 N 8.78 0.32 -0.94 4.34 5.09 -1.90 -3.32 116.57 128.93 2crr h LYS 130 Ca -0.29 -0.55 0.27 0.00 0.09 0.00 0.00 60.65 60.17 2crr h LYS 130 Cb 1.10 0.21 -0.17 0.00 0.10 0.00 0.00 32.23 33.47 2crr h LYS 130 CO 0.93 1.26 0.15 -0.91 -2.09 0.00 0.00 179.45 178.79 2crr h ASN 131 N 0.09 -0.23 0.17 7.07 2.35 -2.00 0.17 115.58 123.20 2crr h ASN 131 Ca -0.16 0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2crr h ASN 131 Cb 2.01 0.38 0.00 0.00 0.05 0.00 0.00 38.32 40.77 2crr h ASN 131 CO 0.22 -0.29 -0.08 0.00 -1.65 0.00 0.00 177.43 175.63 2crr h ALA 132 N 1.90 -0.23 -0.91 -0.83 0.00 -1.98 -3.05 119.26 114.15 2crr h ALA 132 Ca 0.60 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.59 2crr h ALA 132 Cb 1.27 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.99 2crr h ALA 132 CO -0.80 -0.58 -0.28 -0.89 0.00 0.00 0.00 179.25 176.69 2crr n ILE 133 N -5.15 -0.42 -2.19 0.00 2.08 0.58 -4.79 119.36 109.47 2crr n ILE 133 Ca -0.09 2.11 -0.11 0.00 0.56 0.00 0.00 62.75 65.21 2crr n ILE 133 Cb 0.15 -2.86 -0.01 0.00 -0.75 0.00 0.00 39.64 36.17 2crr n ILE 133 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2crr n ALA 134 N -3.60 -0.33 -0.25 -1.39 0.00 -1.11 -4.91 120.51 108.92 2crr n ALA 134 Ca 0.12 0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.59 2crr n ALA 134 Cb 0.42 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 2crr n ALA 134 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2crr n ILE 135 N -3.97 -0.41 -3.84 0.00 2.08 -1.26 -4.77 119.36 107.20 2crr n ILE 135 Ca -0.13 1.45 -0.05 0.00 0.56 0.00 0.00 62.75 64.58 2crr n ILE 135 Cb 0.60 -1.79 0.01 0.00 -0.75 0.00 0.00 39.64 37.71 2crr n ILE 135 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2crr s SER 136 N -5.30 -0.04 0.96 4.38 0.01 -1.26 -5.17 113.70 107.28 2crr s SER 136 Ca -0.07 -0.75 -0.12 0.00 1.31 0.00 0.00 55.95 56.32 2crr s SER 136 Cb 0.07 0.60 0.18 0.00 0.21 0.00 0.00 66.02 67.08 2crr s SER 136 CO 0.37 -1.18 0.39 0.61 0.41 0.00 0.00 173.24 173.84 2crr n GLY 137 N -0.60 -2.39 3.56 3.44 0.00 -1.26 -4.70 105.19 103.24 2crr n GLY 137 Ca -0.05 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 2crr n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crr s PRO 138 N -3.43 2.55 0.22 1.61 0.04 -1.26 -4.93 135.00 129.81 2crr s PRO 138 Ca 0.32 -0.31 -0.27 0.00 0.04 0.00 0.00 61.00 60.77 2crr s PRO 138 Cb -0.06 -5.07 -0.17 0.00 0.04 0.00 0.00 34.50 29.25 2crr s PRO 138 CO 0.27 -3.39 0.51 0.43 0.04 0.00 0.00 177.00 174.86 2crr n SER 139 N 13.98 -1.27 -4.00 6.66 7.64 -1.26 -4.97 113.62 130.40 2crr n SER 139 Ca 0.40 1.10 -0.19 0.00 1.01 0.00 0.00 58.87 61.20 2crr n SER 139 Cb 0.47 -0.96 -0.15 0.00 -1.01 0.00 0.00 64.21 62.56 2crr n SER 139 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2crr s SER 140 N -0.98 1.04 0.00 6.43 1.04 -1.26 -5.26 113.70 114.71 2crr s SER 140 Ca 0.63 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2crr s SER 140 Cb -0.89 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.04 2crr s SER 140 CO 0.57 0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.48