#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 3.66 -0.52 1.61 1.04 -1.26 -4.96 113.70 113.27 2crr s SER 2 Ca 0.00 0.44 -0.02 0.00 0.48 0.00 0.00 55.95 56.85 2crr s SER 2 Cb 0.00 -0.66 0.30 0.00 0.10 0.00 0.00 66.02 65.76 2crr s SER 2 CO 0.00 -2.40 2.12 -0.24 0.98 0.00 0.00 173.24 173.70 2crr n SER 3 N -3.57 7.05 0.00 7.02 2.88 -1.26 -4.91 113.62 120.83 2crr n SER 3 Ca 0.13 -3.43 0.00 0.00 -1.33 0.00 0.00 58.87 54.23 2crr n SER 3 Cb 0.60 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 2crr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crr n GLY 4 N -0.16 1.79 3.71 0.46 0.00 -1.26 -5.05 105.19 104.68 2crr n GLY 4 Ca 0.47 -0.78 0.01 0.00 0.00 0.00 0.00 46.02 45.72 2crr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crr s SER 5 N -4.00 -0.05 -0.27 1.61 1.04 -1.26 -5.13 113.70 105.64 2crr s SER 5 Ca 0.00 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.21 2crr s SER 5 Cb 0.00 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.37 2crr s SER 5 CO 0.00 -0.40 -0.04 -0.55 0.98 0.00 0.00 173.24 173.23 2crr s SER 6 N -3.15 4.53 0.45 7.02 0.15 -1.26 -5.10 113.70 116.34 2crr s SER 6 Ca 0.17 -1.07 0.03 0.00 0.70 0.00 0.00 55.95 55.78 2crr s SER 6 Cb 0.03 -1.67 -0.02 0.00 -1.71 0.00 0.00 66.02 62.65 2crr s SER 6 CO -0.02 -0.18 0.05 -0.83 1.20 0.00 0.00 173.24 173.46 2crr s GLY 7 N 1.28 2.78 0.01 9.45 0.00 -1.26 -5.14 107.32 114.45 2crr s GLY 7 Ca -0.03 -0.94 -0.18 0.00 0.00 0.00 0.00 44.72 43.58 2crr s GLY 7 CO -0.03 -2.03 0.51 -1.59 0.00 0.00 0.00 173.10 169.95 2crr s LYS 8 N -3.80 4.14 -0.18 2.90 -2.85 -1.26 -5.00 119.74 113.68 2crr s LYS 8 Ca 0.16 0.59 -0.16 0.00 -1.00 0.00 0.00 55.97 55.56 2crr s LYS 8 Cb 0.03 -3.27 -0.21 0.00 -2.06 0.00 0.00 37.83 32.32 2crr s LYS 8 CO 0.09 0.56 0.23 0.00 0.10 0.00 0.00 175.35 176.34 2crr n ALA 9 N 2.12 0.84 -0.25 0.59 0.00 -1.26 -3.94 120.51 118.61 2crr n ALA 9 Ca -0.11 -0.55 0.09 0.00 0.00 0.00 0.00 53.44 52.87 2crr n ALA 9 Cb 0.51 -0.57 0.18 0.00 0.00 0.00 0.00 19.45 19.58 2crr n ALA 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2crr n GLN 10 N -4.11 -0.06 -0.05 0.00 -0.06 -1.26 0.16 117.38 112.00 2crr n GLN 10 Ca -0.33 1.08 -0.12 0.00 -2.00 0.00 0.00 57.00 55.63 2crr n GLN 10 Cb 0.81 -1.69 -0.07 0.00 -4.06 0.00 0.00 30.24 25.23 2crr n GLN 10 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2crr h LYS 11 N 0.00 0.30 -2.00 3.69 1.63 -2.01 -3.16 116.57 115.02 2crr h LYS 11 Ca 0.41 -0.13 -0.12 0.00 -0.85 0.00 0.00 60.65 59.96 2crr h LYS 11 Cb 0.80 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.37 2crr h LYS 11 CO -0.69 0.63 -0.21 1.28 -3.45 0.00 0.00 179.45 177.01 2crr n LEU 12 N -4.66 5.31 -4.22 5.20 4.32 0.43 -4.78 117.00 118.61 2crr n LEU 12 Ca -0.06 -2.87 -0.40 0.00 -0.02 0.00 0.00 56.01 52.66 2crr n LEU 12 Cb 0.29 -1.29 -0.09 0.00 -1.62 0.00 0.00 43.42 40.70 2crr n LEU 12 CO 0.37 1.41 -0.07 0.20 -1.22 0.00 0.00 177.39 178.09 2crr s ASN 13 N 1.96 5.62 -0.19 -1.43 0.01 -1.00 -4.90 114.94 115.00 2crr s ASN 13 Ca 0.39 -1.80 -0.22 0.00 -0.71 0.00 0.00 52.86 50.52 2crr s ASN 13 Cb 0.19 -1.98 -0.19 0.00 0.41 0.00 0.00 41.25 39.68 2crr s ASN 13 CO -0.00 -0.62 0.29 -0.33 -1.51 0.00 0.00 177.10 174.92 2crr h GLU 14 N 8.38 0.00 -3.70 -0.60 5.08 -1.92 -3.49 114.58 118.34 2crr h GLU 14 Ca -0.21 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.99 2crr h GLU 14 Cb 1.07 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.10 2crr h GLU 14 CO 0.81 0.91 -0.60 1.14 -1.00 0.00 0.00 179.01 180.26 2crr s GLN 15 N -2.31 0.33 0.23 2.33 -2.07 -1.26 -5.05 119.66 111.86 2crr s GLN 15 Ca -0.25 -0.36 -0.15 0.00 -1.82 0.00 0.00 55.36 52.78 2crr s GLN 15 Cb 0.04 0.13 0.28 0.00 -1.09 0.00 0.00 33.01 32.37 2crr s GLN 15 CO 0.57 -0.07 1.57 0.45 -1.32 0.00 0.00 175.29 176.50 2crr h HIS 16 N 4.81 -0.76 -0.09 9.60 3.86 -1.96 -1.26 115.15 129.34 2crr h HIS 16 Ca -0.30 0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.02 2crr h HIS 16 Cb 1.20 0.46 -0.04 0.00 1.06 0.00 0.00 27.41 30.10 2crr h HIS 16 CO 0.58 -0.39 -0.30 1.96 0.86 0.00 0.00 177.93 180.64 2crr h GLN 17 N -0.04 -0.30 -0.70 2.45 1.08 -1.96 -1.93 115.11 113.71 2crr h GLN 17 Ca 0.36 0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.71 2crr h GLN 17 Cb 0.61 0.07 -0.13 0.00 -0.05 0.00 0.00 27.48 27.97 2crr h GLN 17 CO -0.88 -0.20 -0.23 1.25 -0.95 0.00 0.00 178.83 177.82 2crr h LEU 18 N -0.31 -0.84 -0.30 1.46 5.85 -1.69 -1.97 115.31 117.51 2crr h LEU 18 Ca 0.02 0.23 0.03 0.00 0.84 0.00 0.00 57.88 59.00 2crr h LEU 18 Cb 0.37 0.50 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 2crr h LEU 18 CO -0.25 -0.26 -0.33 0.40 -0.34 0.00 0.00 178.44 177.66 2crr h ILE 19 N -0.05 0.00 -0.98 4.05 2.04 -0.54 0.94 117.51 122.97 2crr h ILE 19 Ca 0.32 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.47 2crr h ILE 19 Cb 0.54 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.44 2crr h ILE 19 CO -0.74 0.00 0.09 0.18 0.00 0.00 0.00 178.15 177.68 2crr n LEU 20 N -4.25 -0.05 -0.13 1.44 4.77 -0.76 0.18 117.00 118.20 2crr n LEU 20 Ca -0.01 1.66 -0.08 0.00 -0.03 0.00 0.00 56.01 57.55 2crr n LEU 20 Cb 0.19 -0.63 0.08 0.00 -2.33 0.00 0.00 43.42 40.73 2crr n LEU 20 CO -0.01 -1.71 0.77 0.28 -1.33 0.00 0.00 177.39 175.39 2crr h SER 21 N 0.00 0.87 -0.64 -1.43 0.02 -0.77 -2.80 113.55 108.79 2crr h SER 21 Ca 0.63 -0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 61.22 2crr h SER 21 Cb 1.36 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2crr h SER 21 CO -0.90 1.00 0.09 0.11 -1.14 0.00 0.00 176.83 175.99 2crr h LYS 22 N 0.78 1.07 -0.56 3.45 1.57 0.41 -2.66 116.57 120.63 2crr h LYS 22 Ca 0.13 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2crr h LYS 22 Cb 0.64 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2crr h LYS 22 CO 0.04 1.00 0.36 -0.07 -0.57 0.00 0.00 179.45 180.21 2crr h LEU 23 N 0.98 0.62 0.22 2.94 3.38 -0.60 -2.94 115.31 119.91 2crr h LEU 23 Ca 0.19 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2crr h LEU 23 Cb 0.45 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2crr h LEU 23 CO 0.02 0.45 -0.15 -0.07 0.09 0.00 0.00 178.44 178.77 2crr h LEU 24 N 0.73 -0.37 -1.46 1.67 3.38 -1.34 -2.27 115.31 115.65 2crr h LEU 24 Ca 0.21 0.03 0.49 0.00 0.09 0.00 0.00 57.88 58.69 2crr h LEU 24 Cb -0.06 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 40.67 2crr h LEU 24 CO -0.06 -0.24 0.95 0.03 0.09 0.00 0.00 178.44 179.22 2crr h ARG 25 N -0.36 0.00 -6.51 1.13 3.08 -1.29 -2.86 114.38 107.57 2crr h ARG 25 Ca -0.02 -0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.50 2crr h ARG 25 Cb 0.31 -0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.39 2crr h ARG 25 CO 0.01 0.00 0.98 -1.21 -1.07 0.00 0.00 179.97 178.68 2crr s GLU 26 N -5.22 4.19 0.61 0.04 2.02 -0.85 -4.78 118.70 114.71 2crr s GLU 26 Ca -0.07 2.38 0.25 0.00 0.02 0.00 0.00 54.97 57.54 2crr s GLU 26 Cb 0.31 -3.45 1.04 0.00 0.10 0.00 0.00 34.13 32.12 2crr s GLU 26 CO 0.83 -0.71 1.48 0.93 0.02 0.00 0.00 175.26 177.82 2crr h GLU 27 N 7.86 0.00 -0.53 1.61 5.08 -1.87 0.94 114.58 127.68 2crr h GLU 27 Ca -0.43 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.84 2crr h GLU 27 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2crr h GLU 27 CO 0.93 0.00 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.47 2crr h ASP 28 N 0.00 0.94 -0.33 1.42 3.32 -1.87 -3.14 116.42 116.76 2crr h ASP 28 Ca 0.34 -0.32 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 2crr h ASP 28 Cb 2.22 -0.25 -0.11 0.00 0.22 0.00 0.00 39.33 41.41 2crr h ASP 28 CO -0.00 1.03 -0.15 0.59 -1.72 0.00 0.00 179.24 178.99 2crr n ASN 29 N -4.25 2.48 0.08 6.45 3.02 0.31 -4.59 115.26 118.77 2crr n ASN 29 Ca 0.01 -3.81 -0.00 0.00 -0.03 0.00 0.00 54.58 50.75 2crr n ASN 29 Cb 0.35 -0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 38.85 2crr n ASN 29 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2crr h LYS 30 N 1.05 0.00 -5.20 3.52 1.57 -0.93 -3.39 116.57 113.18 2crr h LYS 30 Ca 0.21 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.56 2crr h LYS 30 Cb 1.57 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.74 2crr h LYS 30 CO 0.37 0.51 -0.64 0.71 -0.57 0.00 0.00 179.45 179.82 2crr s TYR 31 N -2.89 1.76 0.88 -1.35 2.02 -1.26 -3.53 117.35 112.97 2crr s TYR 31 Ca 0.01 -0.90 -0.12 0.00 -0.37 0.00 0.00 57.07 55.69 2crr s TYR 31 Cb 0.08 -1.06 0.10 0.00 -0.40 0.00 0.00 41.96 40.68 2crr s TYR 31 CO 0.78 0.02 1.00 0.00 -1.57 0.00 0.00 175.55 175.78 2crr n ALA 33 N -3.76 2.44 0.11 0.00 0.00 -1.06 -2.93 120.51 115.31 2crr n ALA 33 Ca 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2crr n ALA 33 Cb 0.52 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.83 0.18 -1.16 0.00 8.00 -1.26 -4.86 116.55 118.28 2crr n ASP 34 Ca 0.16 0.37 0.12 0.00 0.71 0.00 0.00 54.79 56.15 2crr n ASP 34 Cb 0.40 0.19 0.25 0.00 -0.02 0.00 0.00 41.12 41.94 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 1.46 -2.20 -0.65 0.00 -0.58 -1.15 -4.82 120.64 112.71 2crr n GLU 36 Ca 0.20 0.17 -0.32 0.00 -0.42 0.00 0.00 57.16 56.79 2crr n GLU 36 Cb 0.59 -4.75 0.18 0.00 -0.57 0.00 0.00 31.44 26.90 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crr n ALA 37 N -3.31 -3.67 -2.78 0.62 0.00 -1.26 -4.25 120.51 105.86 2crr n ALA 37 Ca 0.04 -1.18 -0.44 0.00 0.00 0.00 0.00 53.44 51.86 2crr n ALA 37 Cb 0.49 -1.66 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 2crr n ALA 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2crr s LYS 38 N -3.68 3.06 0.00 0.00 1.02 -1.26 -2.86 119.74 116.01 2crr s LYS 38 Ca 0.59 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 55.51 2crr s LYS 38 Cb -0.16 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.05 2crr s LYS 38 CO 0.66 -1.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 2crr n GLY 39 N 5.18 0.48 3.58 -3.33 0.00 -1.23 -4.96 105.19 104.90 2crr n GLY 39 Ca -0.09 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 2crr n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crr s PRO 40 N -2.43 2.50 0.00 1.61 0.04 -1.26 -4.82 135.00 130.64 2crr s PRO 40 Ca 0.00 -1.05 0.00 0.00 0.04 0.00 0.00 61.00 59.99 2crr s PRO 40 Cb 0.00 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2crr s PRO 40 CO 0.00 -3.91 0.97 -2.13 0.04 0.00 0.00 177.00 171.97 2crr n ARG 41 N 8.35 0.00 -0.51 4.56 0.00 -1.26 -4.63 116.66 123.17 2crr n ARG 41 Ca 0.44 0.55 -0.28 0.00 -0.00 0.00 0.00 57.85 58.56 2crr n ARG 41 Cb 0.47 -1.47 0.22 0.00 0.00 0.00 0.00 32.46 31.67 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 -2.08 -1.97 -3.64 -0.14 7.02 -1.15 -4.51 117.44 110.97 2crr n TRP 42 Ca 0.00 -0.14 -0.08 0.00 -1.02 0.00 0.00 57.50 56.26 2crr n TRP 42 Cb 0.00 -1.52 -0.07 0.00 -2.42 0.00 0.00 31.31 27.30 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 -2.23 -2.01 -0.45 6.99 0.00 -1.24 -2.99 121.76 119.83 2crr s ALA 43 Ca 0.58 1.95 -0.18 0.00 0.00 0.00 0.00 51.96 54.31 2crr s ALA 43 Cb -0.15 -1.47 0.04 0.00 0.00 0.00 0.00 23.12 21.55 2crr s ALA 43 CO 0.59 -0.26 0.49 -1.12 0.00 0.00 0.00 175.76 175.46 2crr s SER 44 N 0.43 6.20 0.02 0.00 0.01 -0.02 -4.02 113.70 116.31 2crr s SER 44 Ca 0.01 -0.85 -0.21 0.00 1.31 0.00 0.00 55.95 56.21 2crr s SER 44 Cb -0.05 -2.24 -0.18 0.00 0.21 0.00 0.00 66.02 63.77 2crr s SER 44 CO -0.08 -0.68 1.23 4.11 0.41 0.00 0.00 173.24 178.23 2crr h TRP 45 N 8.81 0.46 -0.99 2.43 5.08 -1.81 0.19 115.95 130.12 2crr h TRP 45 Ca -0.27 -0.18 0.28 0.00 1.08 0.00 0.00 58.89 59.80 2crr h TRP 45 Cb 1.11 -0.08 -0.14 0.00 -3.00 0.00 0.00 29.16 27.05 2crr h TRP 45 CO 0.66 0.89 0.56 -0.97 -1.28 0.00 0.00 178.44 178.30 2crr h ASN 46 N -0.10 0.57 0.01 0.11 -1.24 -1.92 -2.36 115.58 110.65 2crr h ASN 46 Ca -0.01 0.16 -0.23 0.00 0.71 0.00 0.00 56.30 56.94 2crr h ASN 46 Cb 0.89 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 40.00 2crr h ASN 46 CO 0.06 -0.02 -1.23 0.40 -1.29 0.00 0.00 177.43 175.35 2crr h ILE 47 N 0.44 0.96 0.00 2.57 2.04 -1.88 -3.49 117.51 118.15 2crr h ILE 47 Ca 0.68 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 64.33 2crr h ILE 47 Cb 1.42 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 2crr h ILE 47 CO -0.54 0.38 0.00 0.61 0.00 0.00 0.00 178.15 178.60 2crr n GLY 48 N 1.49 1.12 3.18 5.37 0.00 0.62 -4.81 105.19 112.16 2crr n GLY 48 Ca -0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 0.14 -0.28 1.61 -7.23 -0.86 -0.40 120.40 111.38 2crr s VAL 49 Ca 0.00 -1.61 -0.09 0.00 -1.81 0.00 0.00 61.98 58.46 2crr s VAL 49 Cb 0.00 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 2crr s VAL 49 CO 0.00 -0.64 0.14 -0.36 -0.31 0.00 0.00 175.10 173.93 2crr s PHE 50 N -3.95 3.16 0.28 2.82 0.08 -1.26 -0.84 117.98 118.27 2crr s PHE 50 Ca 0.13 -0.30 0.10 0.00 0.12 0.00 0.00 56.93 56.97 2crr s PHE 50 Cb 0.06 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 40.13 2crr s PHE 50 CO -0.05 -0.33 -0.15 0.96 -0.10 0.00 0.00 175.22 175.55 2crr s ILE 51 N 1.66 2.17 1.03 0.64 -4.36 -1.16 -2.57 121.20 118.60 2crr s ILE 51 Ca 0.06 -2.29 -0.17 0.00 -0.26 0.00 0.00 60.65 57.99 2crr s ILE 51 Cb -0.16 -2.35 0.22 0.00 1.25 0.00 0.00 42.46 41.42 2crr s ILE 51 CO 0.07 -0.38 1.28 0.00 0.24 0.00 0.00 174.94 176.15 2crr h ILE 53 N -1.89 1.30 0.87 0.00 2.10 -1.91 -2.49 117.51 115.48 2crr h ILE 53 Ca -0.44 -1.56 -0.04 0.00 1.08 0.00 0.00 64.86 63.90 2crr h ILE 53 Cb 1.25 1.55 0.01 0.00 -1.09 0.00 0.00 36.82 38.53 2crr h ILE 53 CO 0.36 0.49 -0.43 -0.09 -1.08 0.00 0.00 178.15 177.40 2crr h ARG 54 N 0.46 -1.14 -0.33 2.19 1.12 -2.01 -2.71 114.38 111.97 2crr h ARG 54 Ca 0.04 0.08 0.05 0.00 -1.11 0.00 0.00 59.98 59.04 2crr h ARG 54 Cb 0.90 0.26 -0.05 0.00 -0.01 0.00 0.00 29.97 31.07 2crr h ARG 54 CO 0.08 -0.76 0.05 0.00 -3.11 0.00 0.00 179.97 176.23 2crr h ALA 56 N 1.25 0.51 -0.93 0.00 0.00 -1.37 0.31 119.26 119.04 2crr h ALA 56 Ca 0.15 0.31 0.24 0.00 0.00 0.00 0.00 54.91 55.62 2crr h ALA 56 Cb 0.18 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 18.48 2crr h ALA 56 CO -0.22 -0.42 0.44 0.78 0.00 0.00 0.00 179.25 179.83 2crr h GLY 57 N -0.01 1.67 1.36 0.00 0.00 -1.10 0.19 103.07 105.18 2crr h GLY 57 Ca 0.39 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.36 2crr h GLY 57 CO -0.84 -0.31 -0.58 -2.22 0.00 0.00 0.00 176.54 172.58 2crr h ILE 58 N 0.39 1.31 -0.16 2.60 5.03 -0.47 -3.24 117.51 122.97 2crr h ILE 58 Ca 0.60 -1.82 0.03 0.00 -0.12 0.00 0.00 64.86 63.56 2crr h ILE 58 Cb 1.20 1.77 -0.03 0.00 -3.03 0.00 0.00 36.82 36.72 2crr h ILE 58 CO -0.55 0.57 -0.05 0.45 -0.68 0.00 0.00 178.15 177.89 2crr h HIS 59 N 0.51 -0.12 -0.84 1.37 3.86 0.15 -2.16 115.15 117.91 2crr h HIS 59 Ca 0.00 0.02 0.19 0.00 -1.16 0.00 0.00 60.37 59.42 2crr h HIS 59 Cb 1.16 0.08 -0.12 0.00 1.06 0.00 0.00 27.41 29.59 2crr h HIS 59 CO 0.06 -0.09 0.32 0.00 0.86 0.00 0.00 177.93 179.08 2crr h ARG 60 N -0.02 0.37 -0.02 2.45 3.08 -1.35 -0.86 114.38 118.02 2crr h ARG 60 Ca 0.08 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.13 2crr h ARG 60 Cb 0.14 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2crr h ARG 60 CO -0.18 0.24 -0.13 -0.91 -1.07 0.00 0.00 179.97 177.93 2crr h ASN 61 N 0.38 -0.39 -0.77 7.04 2.35 -1.45 -2.90 115.58 119.85 2crr h ASN 61 Ca 0.50 0.06 0.09 0.00 -0.55 0.00 0.00 56.30 56.40 2crr h ASN 61 Cb 0.90 0.17 -0.10 0.00 0.05 0.00 0.00 38.32 39.34 2crr h ASN 61 CO -0.51 -0.18 -0.39 0.18 -1.65 0.00 0.00 177.43 174.88 2crr n LEU 62 N -5.26 -0.69 0.00 1.61 4.77 -0.33 -4.86 117.00 112.24 2crr n LEU 62 Ca -0.05 1.35 0.00 0.00 -0.03 0.00 0.00 56.01 57.29 2crr n LEU 62 Cb 0.18 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2crr n LEU 62 CO 0.26 -1.15 0.00 0.61 -1.33 0.00 0.00 177.39 175.78 2crr n GLY 63 N -1.26 4.62 0.33 -0.72 0.00 -1.09 -4.79 105.19 102.28 2crr n GLY 63 Ca 0.04 -0.93 0.18 0.00 0.00 0.00 0.00 46.02 45.31 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 0.44 -0.07 1.61 -1.51 -1.79 0.90 116.25 115.82 2crr h VAL 64 Ca 0.00 -0.15 -0.03 0.00 -1.23 0.00 0.00 66.70 65.29 2crr h VAL 64 Cb 0.00 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.12 2crr h VAL 64 CO 0.00 0.08 -0.09 1.12 -1.23 0.00 0.00 177.57 177.44 2crr h HIS 65 N 0.44 0.11 0.00 5.19 -0.00 -1.98 -3.28 115.15 115.62 2crr h HIS 65 Ca 0.64 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 61.01 2crr h HIS 65 Cb 1.30 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.68 2crr h HIS 65 CO -0.06 0.20 -0.23 0.82 -0.00 0.00 0.00 177.93 178.67 2crr h ILE 66 N 0.10 0.00 -2.62 6.12 2.04 0.31 -3.49 117.51 119.98 2crr h ILE 66 Ca 0.02 -0.72 -0.11 0.00 1.00 0.00 0.00 64.86 65.05 2crr h ILE 66 Cb 0.24 0.00 -0.27 0.00 -0.74 0.00 0.00 36.82 36.05 2crr h ILE 66 CO 0.01 0.00 -0.30 -0.44 0.00 0.00 0.00 178.15 177.42 2crr s SER 67 N -5.01 -0.49 0.14 1.72 0.01 0.87 -4.91 113.70 106.03 2crr s SER 67 Ca -0.07 0.92 0.02 0.00 1.31 0.00 0.00 55.95 58.13 2crr s SER 67 Cb 0.01 0.85 -0.04 0.00 0.21 0.00 0.00 66.02 67.05 2crr s SER 67 CO 0.10 -0.20 0.28 -0.13 0.41 0.00 0.00 173.24 173.70 2crr s ARG 68 N 1.55 3.45 -0.06 12.44 0.52 -1.26 -4.19 118.95 131.39 2crr s ARG 68 Ca -0.09 -0.54 0.03 0.00 -0.52 0.00 0.00 55.73 54.62 2crr s ARG 68 Cb -0.09 -2.96 0.01 0.00 0.52 0.00 0.00 34.95 32.43 2crr s ARG 68 CO -0.13 0.52 -0.15 0.08 0.02 0.00 0.00 175.30 175.65 2crr s VAL 69 N -1.72 1.31 -0.22 3.52 1.01 -1.26 -4.40 120.40 118.64 2crr s VAL 69 Ca 0.35 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.53 2crr s VAL 69 Cb -0.11 -1.16 0.06 0.00 0.00 0.00 0.00 36.38 35.16 2crr s VAL 69 CO 0.28 0.39 0.59 -1.59 0.00 0.00 0.00 175.10 174.78 2crr s LYS 70 N 0.45 0.68 0.47 2.72 -2.85 -1.26 -5.04 119.74 114.90 2crr s LYS 70 Ca -0.12 0.85 -0.23 0.00 -1.00 0.00 0.00 55.97 55.48 2crr s LYS 70 Cb -0.15 0.31 -0.09 0.00 -2.06 0.00 0.00 37.83 35.84 2crr s LYS 70 CO 0.04 -0.09 1.01 0.43 0.10 0.00 0.00 175.35 176.84 2crr n SER 71 N 2.94 1.23 0.18 0.03 7.64 -1.26 -4.07 113.62 120.31 2crr n SER 71 Ca -0.15 0.98 -0.09 0.00 1.01 0.00 0.00 58.87 60.62 2crr n SER 71 Cb 0.56 -1.37 -0.05 0.00 -1.01 0.00 0.00 64.21 62.34 2crr n SER 71 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2crr h VAL 72 N 1.33 0.17 0.00 0.44 2.07 -1.85 -3.21 116.25 115.20 2crr h VAL 72 Ca -0.46 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2crr h VAL 72 Cb 1.34 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2crr h VAL 72 CO 0.55 0.04 -0.16 -1.13 0.02 0.00 0.00 177.57 176.89 2crr h ASN 73 N -1.09 0.00 -0.88 0.57 -1.24 -1.92 -3.39 115.58 107.63 2crr h ASN 73 Ca -0.05 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.09 2crr h ASN 73 Cb 0.46 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.37 2crr h ASN 73 CO 0.09 0.40 -0.34 0.18 -1.29 0.00 0.00 177.43 176.46 2crr n LEU 74 N -3.75 -0.56 -4.85 0.34 4.77 -1.26 -4.38 117.00 107.30 2crr n LEU 74 Ca -0.02 1.54 -0.31 0.00 -0.03 0.00 0.00 56.01 57.18 2crr n LEU 74 Cb 0.09 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 2crr n LEU 74 CO 0.03 -1.39 0.71 -0.62 -1.33 0.00 0.00 177.39 174.80 2crr s ASP 75 N -5.31 6.11 0.01 -1.43 -1.08 -1.21 -5.03 116.67 108.72 2crr s ASP 75 Ca -0.12 1.51 -0.14 0.00 -0.52 0.00 0.00 52.55 53.28 2crr s ASP 75 Cb 0.18 -2.49 -0.06 0.00 -1.46 0.00 0.00 42.92 39.10 2crr s ASP 75 CO 0.63 -0.95 0.40 -1.10 0.52 0.00 0.00 175.17 174.67 2crr s GLN 76 N -4.90 3.87 0.28 4.34 -0.21 -1.26 -4.74 119.66 117.04 2crr s GLN 76 Ca 0.57 0.35 0.08 0.00 0.02 0.00 0.00 55.36 56.38 2crr s GLN 76 Cb -0.12 -3.17 -0.06 0.00 1.00 0.00 0.00 33.01 30.67 2crr s GLN 76 CO 0.49 0.67 -0.09 -1.58 -2.12 0.00 0.00 175.29 172.65 2crr s TRP 77 N -1.15 2.06 0.25 0.91 0.52 -1.26 -5.09 118.94 115.18 2crr s TRP 77 Ca 0.25 -0.59 0.02 0.00 0.02 0.00 0.00 56.10 55.80 2crr s TRP 77 Cb -0.16 -1.12 -0.05 0.00 -1.15 0.00 0.00 33.47 30.99 2crr s TRP 77 CO 0.14 0.41 0.08 0.95 0.02 0.00 0.00 176.95 178.55 2crr s THR 78 N -2.86 0.65 0.31 2.01 -4.23 -1.26 -5.00 115.64 105.26 2crr s THR 78 Ca 0.29 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.87 2crr s THR 78 Cb 0.02 -2.58 0.30 0.00 1.34 0.00 0.00 72.50 71.58 2crr s THR 78 CO 0.13 -0.07 1.70 0.00 -0.54 0.00 0.00 174.62 175.84 2crr h ALA 79 N 2.40 1.62 -0.22 3.99 0.00 -2.02 0.24 119.26 125.27 2crr h ALA 79 Ca -0.38 0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2crr h ALA 79 Cb 1.24 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2crr h ALA 79 CO 0.62 -0.34 -0.19 0.93 0.00 0.00 0.00 179.25 180.27 2crr h GLU 80 N 0.45 -0.19 -0.02 0.00 3.07 -1.99 0.25 114.58 116.15 2crr h GLU 80 Ca 0.61 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.47 2crr h GLU 80 Cb 1.19 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 2crr h GLU 80 CO -0.52 -0.12 -0.04 1.96 -1.40 0.00 0.00 179.01 178.88 2crr h GLN 81 N -0.19 0.06 -0.02 2.33 7.50 -1.46 -3.10 115.11 120.22 2crr h GLN 81 Ca 0.13 -0.04 0.03 0.00 0.50 0.00 0.00 58.65 59.27 2crr h GLN 81 Cb 0.39 0.01 -0.06 0.00 0.05 0.00 0.00 27.48 27.87 2crr h GLN 81 CO -0.34 0.62 -0.49 0.82 -1.50 0.00 0.00 178.83 177.94 2crr h ILE 82 N -0.50 0.06 -0.78 2.54 1.08 -0.41 -0.93 117.51 118.58 2crr h ILE 82 Ca 0.00 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.65 2crr h ILE 82 Cb 0.62 0.06 -0.13 0.00 -3.07 0.00 0.00 36.82 34.30 2crr h ILE 82 CO 0.01 0.00 0.08 -0.61 -0.69 0.00 0.00 178.15 176.94 2crr h GLN 83 N -0.62 0.15 -0.30 2.37 5.75 -0.62 0.52 115.11 122.35 2crr h GLN 83 Ca 0.03 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 2crr h GLN 83 Cb 0.70 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 2crr h GLN 83 CO -0.36 0.10 0.12 0.00 -2.65 0.00 0.00 178.83 176.04 2crr h MET 85 N 0.27 -0.15 -0.08 0.00 2.86 0.40 0.20 114.93 118.43 2crr h MET 85 Ca 0.13 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2crr h MET 85 Cb 0.07 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 2crr h MET 85 CO -0.11 -0.10 -0.02 1.96 1.06 0.00 0.00 176.91 179.69 2crr h GLN 86 N -0.16 0.15 0.00 1.72 7.50 -1.18 0.19 115.11 123.34 2crr h GLN 86 Ca 0.22 -0.06 0.01 0.00 0.50 0.00 0.00 58.65 59.32 2crr h GLN 86 Cb 0.51 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 28.00 2crr h GLN 86 CO -0.58 0.49 -0.35 -0.44 -1.50 0.00 0.00 178.83 176.45 2crr h ASP 87 N -0.19 -1.07 0.00 1.46 5.19 -0.06 -3.35 116.42 118.40 2crr h ASP 87 Ca 0.02 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2crr h ASP 87 Cb 0.44 0.41 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2crr h ASP 87 CO 0.01 -0.34 0.00 0.80 -3.12 0.00 0.00 179.24 176.59 2crr n MET 88 N -4.40 0.00 -1.29 3.56 1.56 0.63 -4.92 117.12 112.26 2crr n MET 88 Ca -0.05 0.35 0.17 0.00 -0.27 0.00 0.00 57.70 57.90 2crr n MET 88 Cb 0.26 -0.94 -0.06 0.00 2.15 0.00 0.00 33.22 34.63 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 1.59 -2.37 0.20 -5.12 0.00 0.68 -3.41 105.19 96.76 2crr n GLY 89 Ca 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.22 0.59 -0.17 1.61 4.21 -1.84 -2.50 115.58 116.25 2crr h ASN 90 Ca -0.05 -0.24 0.02 0.00 1.21 0.00 0.00 56.30 57.24 2crr h ASN 90 Cb 1.20 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 38.22 2crr h ASN 90 CO 0.03 0.67 -0.10 0.41 -1.29 0.00 0.00 177.43 177.16 2crr n THR 91 N -4.57 -0.11 0.02 2.81 -1.04 -1.26 -1.20 114.28 108.93 2crr n THR 91 Ca -0.01 1.54 -0.11 0.00 -2.04 0.00 0.00 64.05 63.43 2crr n THR 91 Cb 0.21 -2.02 -0.06 0.00 -1.82 0.00 0.00 70.33 66.64 2crr n THR 91 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2crr h LYS 92 N 0.00 0.02 -1.04 -2.82 1.57 -1.61 -2.45 116.57 110.23 2crr h LYS 92 Ca 0.03 -0.00 0.41 0.00 -1.87 0.00 0.00 60.65 59.21 2crr h LYS 92 Cb 0.07 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.22 2crr h LYS 92 CO -0.16 0.02 0.61 0.00 -0.57 0.00 0.00 179.45 179.34 2crr n ALA 93 N -2.13 1.06 -0.02 3.86 0.00 -0.46 0.12 120.51 122.94 2crr n ALA 93 Ca -0.06 0.90 -0.16 0.00 0.00 0.00 0.00 53.44 54.12 2crr n ALA 93 Cb 0.04 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 2crr n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2crr h ARG 94 N 0.00 0.34 0.00 0.00 3.08 -0.67 0.13 114.38 117.26 2crr h ARG 94 Ca 0.80 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 60.53 2crr h ARG 94 Cb 2.26 0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.39 2crr h ARG 94 CO -0.62 0.98 0.00 1.28 -1.07 0.00 0.00 179.97 180.54 2crr n LEU 95 N -4.37 0.00 -0.01 3.04 4.77 0.32 -0.79 117.00 119.97 2crr n LEU 95 Ca -0.09 0.42 -0.01 0.00 -0.03 0.00 0.00 56.01 56.30 2crr n LEU 95 Cb 0.56 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2crr n LEU 95 CO 0.43 -0.29 -0.07 -0.11 -1.33 0.00 0.00 177.39 176.02 2crr n LEU 96 N -1.42 0.28 -0.02 2.23 -0.00 0.22 -4.48 117.00 113.81 2crr n LEU 96 Ca 0.03 0.04 -0.13 0.00 -0.00 0.00 0.00 56.01 55.95 2crr n LEU 96 Cb 0.09 -0.34 -0.09 0.00 -0.00 0.00 0.00 43.42 43.08 2crr n LEU 96 CO 0.08 -0.50 0.63 1.88 -0.00 0.00 0.00 177.39 179.48 2crr h TYR 97 N -0.10 0.09 -0.18 1.96 -1.99 -0.82 -3.01 116.97 112.91 2crr h TYR 97 Ca 0.00 -0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.59 2crr h TYR 97 Cb 0.10 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 38.76 2crr h TYR 97 CO -0.04 0.54 0.14 0.39 -0.00 0.00 0.00 178.16 179.19 2crr n GLU 98 N -4.79 1.27 -0.08 4.88 1.02 0.03 -3.67 120.64 119.29 2crr n GLU 98 Ca -0.08 -0.58 -0.08 0.00 -0.02 0.00 0.00 57.16 56.39 2crr n GLU 98 Cb 0.27 -1.23 -0.13 0.00 -0.02 0.00 0.00 31.44 30.34 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 0.62 1.59 -0.96 0.62 0.00 -1.04 -4.41 120.51 116.92 2crr n ALA 99 Ca 0.11 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.49 2crr n ALA 99 Cb 0.63 -0.09 0.36 0.00 0.00 0.00 0.00 19.45 20.34 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 -2.64 5.33 -4.79 0.00 3.02 -1.24 -4.98 115.26 109.96 2crr n ASN 100 Ca -0.27 -3.08 -0.35 0.00 -0.03 0.00 0.00 54.58 50.85 2crr n ASN 100 Cb 1.02 -0.72 -0.04 0.00 -0.61 0.00 0.00 39.78 39.44 2crr n ASN 100 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2crr s LEU 101 N -2.87 3.95 0.42 3.41 1.43 -1.26 -4.81 118.68 118.96 2crr s LEU 101 Ca 0.55 1.98 -0.24 0.00 -1.03 0.00 0.00 54.13 55.39 2crr s LEU 101 Cb 0.43 -4.42 -0.08 0.00 0.03 0.00 0.00 46.19 42.15 2crr s LEU 101 CO 0.15 -0.69 1.18 -2.16 0.23 0.00 0.00 176.35 175.06 2crr s PRO 102 N -2.96 3.93 0.58 1.29 0.04 -1.26 -4.90 135.00 131.71 2crr s PRO 102 Ca 0.64 1.84 0.29 0.00 0.04 0.00 0.00 61.00 63.81 2crr s PRO 102 Cb -0.19 -2.57 1.46 0.00 0.04 0.00 0.00 34.50 33.25 2crr s PRO 102 CO 0.23 -0.43 1.89 1.49 0.04 0.00 0.00 177.00 180.22 2crr h GLU 103 N 2.40 0.00 -0.92 4.56 4.81 -2.01 0.12 114.58 123.54 2crr h GLU 103 Ca -0.49 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.15 2crr h GLU 103 Cb 1.24 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 30.23 2crr h GLU 103 CO 0.62 0.00 -0.32 0.27 -0.73 0.00 0.00 179.01 178.85 2crr n ASN 104 N -3.81 5.71 -4.77 1.04 0.23 -1.26 -5.05 115.26 107.35 2crr n ASN 104 Ca 0.10 -3.76 -0.40 0.00 -0.53 0.00 0.00 54.58 49.99 2crr n ASN 104 Cb 0.73 -0.54 -0.00 0.00 -2.08 0.00 0.00 39.78 37.89 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 -3.67 2.75 -0.22 -2.53 2.19 0.41 -5.01 117.98 111.89 2crr s PHE 105 Ca 0.54 1.35 0.00 0.00 0.33 0.00 0.00 56.93 59.16 2crr s PHE 105 Cb 0.44 -3.76 0.06 0.00 -1.31 0.00 0.00 43.02 38.44 2crr s PHE 105 CO -0.01 -2.33 -0.05 0.50 1.83 0.00 0.00 175.22 175.16 2crr s ARG 106 N -2.21 1.58 0.03 10.12 6.06 -1.26 -5.05 118.95 128.22 2crr s ARG 106 Ca 0.56 -0.90 -0.30 0.00 -2.50 0.00 0.00 55.73 52.59 2crr s ARG 106 Cb -0.40 -2.50 -0.08 0.00 0.06 0.00 0.00 34.95 32.03 2crr s ARG 106 CO 0.52 -0.57 1.79 0.50 -2.50 0.00 0.00 175.30 175.05 2crr s ARG 107 N 1.44 4.16 0.24 5.12 3.52 -1.26 -4.95 118.95 127.23 2crr s ARG 107 Ca -0.05 2.43 -0.30 0.00 -0.13 0.00 0.00 55.73 57.69 2crr s ARG 107 Cb -0.18 -3.91 -0.09 0.00 -1.56 0.00 0.00 34.95 29.20 2crr s ARG 107 CO -0.07 -0.86 1.27 -1.25 -0.81 0.00 0.00 175.30 173.58 2crr s PRO 108 N 3.71 4.42 -0.22 5.12 0.04 -1.26 -4.95 135.00 141.85 2crr s PRO 108 Ca 0.80 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.93 2crr s PRO 108 Cb -0.40 -3.16 -0.16 0.00 0.04 0.00 0.00 34.50 30.82 2crr s PRO 108 CO 0.36 -0.16 -0.16 0.94 0.04 0.00 0.00 177.00 178.01 2crr n GLN 109 N 1.94 0.65 -2.91 4.56 -0.06 -1.26 -4.76 117.38 115.54 2crr n GLN 109 Ca 0.03 0.11 -0.36 0.00 -2.00 0.00 0.00 57.00 54.78 2crr n GLN 109 Cb 0.43 -1.46 -0.06 0.00 -4.06 0.00 0.00 30.24 25.08 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 -2.46 4.36 0.18 1.69 -4.23 -1.26 -4.93 115.64 108.99 2crr s THR 110 Ca -0.28 1.60 -0.13 0.00 -1.18 0.00 0.00 61.69 61.70 2crr s THR 110 Cb 0.08 -3.94 0.07 0.00 1.34 0.00 0.00 72.50 70.05 2crr s THR 110 CO 0.56 0.15 1.80 -2.24 -0.54 0.00 0.00 174.62 174.35 2crr h ASP 111 N 3.21 0.43 -0.97 3.99 3.04 -1.98 -0.95 116.42 123.19 2crr h ASP 111 Ca -0.47 0.02 0.40 0.00 -3.24 0.00 0.00 57.03 53.73 2crr h ASP 111 Cb 1.19 -0.07 -0.18 0.00 -1.04 0.00 0.00 39.33 39.24 2crr h ASP 111 CO 0.65 0.30 0.49 1.67 -2.04 0.00 0.00 179.24 180.31 2crr n GLN 112 N -4.84 -0.06 -0.08 4.15 -0.06 -1.26 -1.05 117.38 114.17 2crr n GLN 112 Ca 0.04 1.35 -0.13 0.00 -2.00 0.00 0.00 57.00 56.26 2crr n GLN 112 Cb 0.10 -2.40 -0.06 0.00 -4.06 0.00 0.00 30.24 23.82 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2crr h ALA 113 N 1.94 0.12 -0.42 1.69 0.00 -1.82 -3.38 119.26 117.39 2crr h ALA 113 Ca 0.81 -0.80 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2crr h ALA 113 Cb 2.13 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 20.44 2crr h ALA 113 CO -0.76 0.55 -0.25 0.28 0.00 0.00 0.00 179.25 179.07 2crr n VAL 114 N -4.54 -0.29 -0.27 0.00 0.31 -0.42 -0.67 118.33 112.45 2crr n VAL 114 Ca -0.18 1.88 -0.00 0.00 -0.01 0.00 0.00 64.34 66.03 2crr n VAL 114 Cb 0.45 -2.40 0.04 0.00 -0.91 0.00 0.00 33.84 31.01 2crr n VAL 114 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2crr n GLU 115 N -3.95 -0.16 0.26 5.55 0.00 -0.22 0.14 120.64 122.27 2crr n GLU 115 Ca 0.01 1.11 -0.15 0.00 0.00 0.00 0.00 57.16 58.12 2crr n GLU 115 Cb 0.11 -1.65 -0.08 0.00 0.00 0.00 0.00 31.44 29.82 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 -0.59 -0.99 4.31 0.04 -1.08 0.09 116.94 118.72 2crr h PHE 116 Ca 0.26 -0.01 0.22 0.00 2.80 0.00 0.00 57.97 61.24 2crr h PHE 116 Cb 0.44 0.20 -0.19 0.00 2.20 0.00 0.00 35.95 38.60 2crr h PHE 116 CO -0.62 -0.31 -0.16 0.35 -0.60 0.00 0.00 178.31 176.97 2crr h PHE 117 N -0.77 -0.38 -0.05 -0.55 3.57 0.18 0.95 116.94 119.89 2crr h PHE 117 Ca -0.07 0.08 -0.18 0.00 3.53 0.00 0.00 57.97 61.33 2crr h PHE 117 Cb 0.55 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2crr h PHE 117 CO -0.02 -0.43 -0.76 0.82 -2.23 0.00 0.00 178.31 175.70 2crr h ILE 118 N 0.00 1.41 0.00 1.41 2.04 -1.09 1.31 117.51 122.59 2crr h ILE 118 Ca 0.51 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 64.12 2crr h ILE 118 Cb 0.87 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2crr h ILE 118 CO -0.99 0.67 0.00 0.54 0.00 0.00 0.00 178.15 178.37 2crr n ARG 119 N -3.79 0.03 0.00 2.37 1.74 0.29 -1.78 116.66 115.51 2crr n ARG 119 Ca -0.04 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2crr n ARG 119 Cb 0.73 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 2crr n ARG 119 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2crr n ASP 120 N -1.60 3.71 0.04 0.55 9.92 0.12 -3.29 116.55 126.00 2crr n ASP 120 Ca 0.04 -0.03 -0.06 0.00 -0.53 0.00 0.00 54.79 54.21 2crr n ASP 120 Cb 0.20 0.81 -0.11 0.00 -0.64 0.00 0.00 41.12 41.38 2crr n ASP 120 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2crr h LYS 121 N 0.00 0.00 0.00 -1.24 3.64 0.18 -1.25 116.57 117.89 2crr h LYS 121 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2crr h LYS 121 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2crr h LYS 121 CO 0.00 0.73 -0.32 0.66 -2.27 0.00 0.00 179.45 178.25 2crr n TYR 122 N -3.21 0.00 0.16 1.91 4.01 -0.73 -4.06 117.16 115.25 2crr n TYR 122 Ca -0.06 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.52 2crr n TYR 122 Cb 0.94 -0.15 -0.09 0.00 -0.31 0.00 0.00 39.34 39.73 2crr n TYR 122 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2crr h GLU 123 N -0.30 -0.76 0.00 -0.72 4.81 -1.70 -1.74 114.58 114.17 2crr h GLU 123 Ca -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2crr h GLU 123 Cb 0.32 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2crr h GLU 123 CO -0.00 -0.51 0.00 0.87 -0.73 0.00 0.00 179.01 178.64 2crr h LYS 124 N -0.79 0.00 -2.89 1.92 1.79 -1.66 -3.47 116.57 111.47 2crr h LYS 124 Ca -0.01 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.06 2crr h LYS 124 Cb 0.76 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.38 2crr h LYS 124 CO -0.21 0.00 -0.50 1.63 -1.08 0.00 0.00 179.45 179.29 2crr n LYS 125 N -2.80 -1.71 -0.01 3.15 4.76 -0.66 -4.90 118.16 116.00 2crr n LYS 125 Ca 0.03 0.99 -0.04 0.00 -2.87 0.00 0.00 58.31 56.42 2crr n LYS 125 Cb 0.40 -5.63 -0.03 0.00 -1.84 0.00 0.00 35.03 27.93 2crr n LYS 125 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2crr h LYS 126 N 0.00 -0.14 -1.67 1.97 1.57 -1.40 -1.01 116.57 115.89 2crr h LYS 126 Ca -0.47 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.18 2crr h LYS 126 Cb 1.35 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.63 2crr h LYS 126 CO 0.57 -0.09 0.19 0.66 -0.57 0.00 0.00 179.45 180.20 2crr n TYR 127 N -3.34 0.71 -3.39 -1.35 4.02 -1.26 -4.87 117.16 107.68 2crr n TYR 127 Ca -0.01 -1.36 -0.38 0.00 -0.01 0.00 0.00 57.90 56.14 2crr n TYR 127 Cb 0.10 -0.67 -0.08 0.00 -0.02 0.00 0.00 39.34 38.67 2crr n TYR 127 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2crr s TYR 128 N -0.82 3.33 -0.64 -0.72 5.04 -0.39 -3.92 117.35 119.23 2crr s TYR 128 Ca 0.14 0.55 -0.20 0.00 -2.44 0.00 0.00 57.07 55.12 2crr s TYR 128 Cb 0.11 -2.54 0.10 0.00 0.35 0.00 0.00 41.96 39.98 2crr s TYR 128 CO 0.00 -0.09 0.81 0.34 -1.34 0.00 0.00 175.55 175.28 2crr s ASP 129 N 1.24 6.23 0.19 4.32 -1.08 -1.14 -4.88 116.67 121.54 2crr s ASP 129 Ca 0.18 -1.38 -0.01 0.00 -0.52 0.00 0.00 52.55 50.81 2crr s ASP 129 Cb -0.15 -2.34 0.10 0.00 -1.46 0.00 0.00 42.92 39.07 2crr s ASP 129 CO 0.08 -1.20 1.47 0.11 0.52 0.00 0.00 175.17 176.16 2crr h LYS 130 N 9.24 0.44 -0.88 4.34 1.79 -1.96 -3.19 116.57 126.35 2crr h LYS 130 Ca -0.25 -0.32 0.20 0.00 -2.18 0.00 0.00 60.65 58.10 2crr h LYS 130 Cb 1.08 0.06 -0.12 0.00 -1.58 0.00 0.00 32.23 31.66 2crr h LYS 130 CO 1.12 0.95 0.39 -0.91 -1.08 0.00 0.00 179.45 179.91 2crr h ASN 131 N 0.32 0.35 0.70 0.86 4.21 -2.01 0.86 115.58 120.87 2crr h ASN 131 Ca -0.02 0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 2crr h ASN 131 Cb 1.21 0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 38.52 2crr h ASN 131 CO 0.11 0.04 -0.04 0.00 -1.29 0.00 0.00 177.43 176.26 2crr h ALA 132 N 1.67 1.04 0.00 -0.83 0.00 -1.95 -3.31 119.26 115.88 2crr h ALA 132 Ca 0.53 -0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.94 2crr h ALA 132 Cb 0.96 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2crr h ALA 132 CO -0.49 0.05 2.72 -0.89 0.00 0.00 0.00 179.25 180.64 2crr n ILE 133 N -3.20 3.25 -5.01 0.00 2.08 0.30 -4.85 119.36 111.93 2crr n ILE 133 Ca -0.01 -1.90 -0.32 0.00 0.56 0.00 0.00 62.75 61.08 2crr n ILE 133 Cb 0.26 -2.31 -0.15 0.00 -0.75 0.00 0.00 39.64 36.69 2crr n ILE 133 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2crr s ALA 134 N 2.56 2.45 0.21 -1.39 0.00 -1.25 -5.05 121.76 119.29 2crr s ALA 134 Ca 0.55 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 2crr s ALA 134 Cb 0.16 -0.91 -0.08 0.00 0.00 0.00 0.00 23.12 22.29 2crr s ALA 134 CO -0.04 0.42 0.64 0.96 0.00 0.00 0.00 175.76 177.74 2crr s ILE 135 N -0.23 4.75 0.01 0.00 -5.25 -1.26 -5.02 121.20 114.19 2crr s ILE 135 Ca -0.00 0.94 -0.19 0.00 -0.99 0.00 0.00 60.65 60.41 2crr s ILE 135 Cb -0.13 -3.73 -0.10 0.00 2.95 0.00 0.00 42.46 41.44 2crr s ILE 135 CO 0.03 0.11 1.00 -1.28 -1.79 0.00 0.00 174.94 173.01 2crr h SER 136 N 3.15 -0.57 -3.99 4.36 0.87 -2.00 -3.50 113.55 111.86 2crr h SER 136 Ca -0.48 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2crr h SER 136 Cb 1.19 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2crr h SER 136 CO 0.66 -0.31 -0.58 0.61 -0.53 0.00 0.00 176.83 176.67 2crr n GLY 137 N -0.53 -4.63 0.00 5.77 0.00 -1.26 -4.79 105.19 99.75 2crr n GLY 137 Ca -0.08 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.78 2crr n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crr n PRO 138 N 1.10 0.37 -1.59 1.61 -0.04 -1.26 -4.81 135.00 130.37 2crr n PRO 138 Ca 0.00 0.06 -0.52 0.00 -0.04 0.00 0.00 63.50 63.00 2crr n PRO 138 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2crr n PRO 138 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2crr n SER 139 N -1.13 2.61 -4.75 3.54 7.64 -1.26 -4.91 113.62 115.36 2crr n SER 139 Ca 0.10 0.76 -0.40 0.00 1.01 0.00 0.00 58.87 60.34 2crr n SER 139 Cb 0.08 -1.26 -0.06 0.00 -1.01 0.00 0.00 64.21 61.96 2crr n SER 139 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crr s SER 140 N 5.32 7.54 0.00 6.43 0.15 -1.26 -5.22 113.70 126.66 2crr s SER 140 Ca 1.01 2.03 0.00 0.00 0.70 0.00 0.00 55.95 59.69 2crr s SER 140 Cb -0.86 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 60.83 2crr s SER 140 CO 0.55 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.67