#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 6.48 0.18 1.61 1.04 -1.26 -4.90 113.70 116.85 2crr s SER 2 Ca 0.00 -1.82 -0.13 0.00 0.48 0.00 0.00 55.95 54.48 2crr s SER 2 Cb 0.00 -2.36 0.17 0.00 0.10 0.00 0.00 66.02 63.93 2crr s SER 2 CO 0.00 -1.08 1.74 0.28 0.98 0.00 0.00 173.24 175.16 2crr h SER 3 N 8.90 0.11 0.00 7.02 0.02 -2.14 -3.47 113.55 124.00 2crr h SER 3 Ca -0.02 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2crr h SER 3 Cb 1.05 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2crr h SER 3 CO 1.07 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 177.47 2crr n GLY 4 N -1.27 1.64 4.04 -3.77 0.00 -1.26 -4.94 105.19 99.64 2crr n GLY 4 Ca 0.05 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2crr n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2crr n SER 5 N 5.70 -3.19 -3.66 1.61 7.64 -1.26 -4.95 113.62 115.52 2crr n SER 5 Ca 0.00 -0.92 -0.27 0.00 1.01 0.00 0.00 58.87 58.69 2crr n SER 5 Cb 0.00 -3.28 -0.17 0.00 -1.01 0.00 0.00 64.21 59.75 2crr n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2crr s SER 6 N -3.55 2.76 0.00 6.43 0.01 -1.26 -5.00 113.70 113.09 2crr s SER 6 Ca 0.54 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2crr s SER 6 Cb -0.29 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.52 2crr s SER 6 CO 0.88 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.80 2crr n GLY 7 N 5.16 -1.59 2.38 3.44 0.00 -1.26 -5.05 105.19 108.26 2crr n GLY 7 Ca -0.08 0.63 -0.32 0.00 0.00 0.00 0.00 46.02 46.26 2crr n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2crr n LYS 8 N 0.00 3.07 -0.30 1.61 4.81 -1.26 -4.81 118.16 121.28 2crr n LYS 8 Ca 0.00 -3.76 0.19 0.00 -0.87 0.00 0.00 58.31 53.87 2crr n LYS 8 Cb 0.00 -2.28 0.37 0.00 0.02 0.00 0.00 35.03 33.14 2crr n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2crr n ALA 9 N -0.72 0.64 -0.29 3.14 0.00 -1.26 -0.72 120.51 121.30 2crr n ALA 9 Ca 0.52 0.94 -0.05 0.00 0.00 0.00 0.00 53.44 54.85 2crr n ALA 9 Cb 0.66 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 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 -5.19 -0.26 -0.33 0.00 7.27 -1.26 0.19 117.38 117.79 2crr n GLN 10 Ca 0.26 1.10 -0.04 0.00 0.07 0.00 0.00 57.00 58.39 2crr n GLN 10 Cb 0.87 -1.62 0.09 0.00 2.41 0.00 0.00 30.24 31.99 2crr n GLN 10 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2crr h LYS 11 N 0.00 1.25 -1.97 3.69 3.11 -1.35 -2.72 116.57 118.58 2crr h LYS 11 Ca 0.16 -0.15 -0.09 0.00 -2.81 0.00 0.00 60.65 57.77 2crr h LYS 11 Cb 0.34 -0.24 -0.04 0.00 -1.00 0.00 0.00 32.23 31.30 2crr h LYS 11 CO -0.69 0.91 -0.08 1.28 -2.81 0.00 0.00 179.45 178.07 2crr n LEU 12 N -4.34 5.43 -4.78 5.20 7.99 0.49 -4.92 117.00 122.07 2crr n LEU 12 Ca 0.09 -2.75 -0.35 0.00 -0.01 0.00 0.00 56.01 53.00 2crr n LEU 12 Cb 0.10 -1.21 -0.02 0.00 -0.11 0.00 0.00 43.42 42.18 2crr n LEU 12 CO 0.39 1.25 0.75 0.54 -1.51 0.00 0.00 177.39 178.81 2crr s ASN 13 N 1.83 6.04 -1.58 -1.43 2.20 -1.03 -3.39 114.94 117.58 2crr s ASN 13 Ca 0.24 2.06 -0.15 0.00 -0.94 0.00 0.00 52.86 54.07 2crr s ASN 13 Cb 0.12 -2.57 0.10 0.00 -2.00 0.00 0.00 41.25 36.90 2crr s ASN 13 CO -0.01 -1.00 0.94 -0.62 -2.94 0.00 0.00 177.10 173.48 2crr n GLU 14 N -1.11 -5.00 -3.93 3.55 -0.58 -1.26 -4.94 120.64 107.38 2crr n GLU 14 Ca 0.10 0.55 -0.30 0.00 -0.42 0.00 0.00 57.16 57.09 2crr n GLU 14 Cb 0.52 -5.41 -0.14 0.00 -0.57 0.00 0.00 31.44 25.83 2crr n GLU 14 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2crr s GLN 15 N -6.70 1.60 -0.01 3.49 2.00 -1.22 -4.98 119.66 113.84 2crr s GLN 15 Ca 0.69 -2.14 -0.19 0.00 -2.00 0.00 0.00 55.36 51.72 2crr s GLN 15 Cb -0.35 -3.06 -0.11 0.00 0.80 0.00 0.00 33.01 30.29 2crr s GLN 15 CO 0.85 -1.04 0.83 0.45 -0.50 0.00 0.00 175.29 175.88 2crr h HIS 16 N 7.08 -0.65 -0.59 1.67 3.86 -1.92 -2.86 115.15 121.76 2crr h HIS 16 Ca -0.06 -0.02 0.22 0.00 -1.16 0.00 0.00 60.37 59.35 2crr h HIS 16 Cb 0.95 0.21 -0.11 0.00 1.06 0.00 0.00 27.41 29.53 2crr h HIS 16 CO 0.48 -0.40 0.22 1.04 0.86 0.00 0.00 177.93 180.12 2crr n GLN 17 N -5.11 -0.04 0.08 2.45 1.13 -1.26 0.13 117.38 114.77 2crr n GLN 17 Ca -0.09 0.83 -0.11 0.00 -1.94 0.00 0.00 57.00 55.69 2crr n GLN 17 Cb 0.28 -1.43 -0.07 0.00 0.11 0.00 0.00 30.24 29.12 2crr n GLN 17 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2crr h LEU 18 N 0.00 -0.24 -0.92 1.08 7.12 -1.97 -3.29 115.31 117.10 2crr h LEU 18 Ca 0.45 -0.29 0.19 0.00 0.13 0.00 0.00 57.88 58.36 2crr h LEU 18 Cb 1.13 0.06 -0.17 0.00 -0.53 0.00 0.00 40.66 41.15 2crr h LEU 18 CO -0.48 0.27 -0.21 0.40 -0.13 0.00 0.00 178.44 178.29 2crr h ILE 19 N -0.86 0.08 -0.86 4.05 2.04 0.13 0.64 117.51 122.73 2crr h ILE 19 Ca -0.03 -0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.03 2crr h ILE 19 Cb 0.51 0.08 -0.12 0.00 -0.74 0.00 0.00 36.82 36.55 2crr h ILE 19 CO 0.05 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.49 2crr h LEU 20 N 0.00 0.30 -0.25 1.44 3.38 -1.40 -0.23 115.31 118.54 2crr h LEU 20 Ca 0.45 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.53 2crr h LEU 20 Cb 0.71 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2crr h LEU 20 CO -0.94 0.03 0.02 -1.28 0.09 0.00 0.00 178.44 176.36 2crr h SER 21 N 0.41 0.42 -1.01 -0.43 0.87 0.20 -2.85 113.55 111.17 2crr h SER 21 Ca 0.52 -0.28 0.24 0.00 -1.23 0.00 0.00 61.79 61.03 2crr h SER 21 Cb 0.93 -0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 62.68 2crr h SER 21 CO -0.50 0.60 0.63 0.11 -0.53 0.00 0.00 176.83 177.14 2crr h LYS 22 N 0.23 0.51 0.59 2.24 1.57 -0.32 -1.08 116.57 120.32 2crr h LYS 22 Ca 0.07 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2crr h LYS 22 Cb 0.37 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.57 2crr h LYS 22 CO 0.01 0.34 -0.28 -0.07 -0.57 0.00 0.00 179.45 178.87 2crr h LEU 23 N 0.53 -0.67 -0.97 2.94 3.38 -1.20 -3.16 115.31 116.15 2crr h LEU 23 Ca 0.60 -0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.81 2crr h LEU 23 Cb 1.27 0.17 -0.13 0.00 0.09 0.00 0.00 40.66 42.06 2crr h LEU 23 CO -0.35 -0.29 0.52 -0.07 0.09 0.00 0.00 178.44 178.34 2crr h LEU 24 N -1.14 0.51 -0.85 1.67 3.38 -1.17 0.24 115.31 117.96 2crr h LEU 24 Ca -0.08 0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.21 2crr h LEU 24 Cb 0.65 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 2crr h LEU 24 CO 0.13 0.01 0.42 0.03 0.09 0.00 0.00 178.44 179.11 2crr h ARG 25 N 0.45 0.55 -6.76 1.13 3.08 -1.19 -3.12 114.38 108.52 2crr h ARG 25 Ca 0.64 -0.03 -0.56 0.00 0.07 0.00 0.00 59.98 60.10 2crr h ARG 25 Cb 1.29 -0.12 0.10 0.00 0.08 0.00 0.00 29.97 31.32 2crr h ARG 25 CO -0.53 0.36 0.62 0.39 -1.07 0.00 0.00 179.97 179.74 2crr n GLU 26 N -4.91 2.28 0.05 0.04 -0.58 0.86 -4.75 120.64 113.63 2crr n GLU 26 Ca 0.18 0.80 0.20 0.00 -0.42 0.00 0.00 57.16 57.92 2crr n GLU 26 Cb 0.47 -2.45 0.74 0.00 -0.57 0.00 0.00 31.44 29.63 2crr n GLU 26 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2crr h GLU 27 N 3.15 0.00 -0.13 3.49 4.11 -1.85 0.24 114.58 123.59 2crr h GLU 27 Ca -0.47 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.89 2crr h GLU 27 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2crr h GLU 27 CO 0.67 0.00 -0.25 -0.44 0.07 0.00 0.00 179.01 179.06 2crr h ASP 28 N 0.00 0.23 -0.25 3.06 3.32 -1.88 -2.96 116.42 117.93 2crr h ASP 28 Ca 0.22 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.04 2crr h ASP 28 Cb 1.01 -0.06 -0.11 0.00 0.22 0.00 0.00 39.33 40.38 2crr h ASP 28 CO -0.00 0.49 -0.40 0.59 -1.72 0.00 0.00 179.24 178.19 2crr n ASN 29 N -4.17 2.59 0.05 6.45 4.13 0.74 -4.61 115.26 120.45 2crr n ASN 29 Ca -0.01 -3.85 0.12 0.00 1.68 0.00 0.00 54.58 52.52 2crr n ASN 29 Cb 0.36 -0.54 0.12 0.00 -1.54 0.00 0.00 39.78 38.18 2crr n ASN 29 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2crr n LYS 30 N -1.05 0.31 -4.06 3.52 5.02 -0.52 -4.27 118.16 117.11 2crr n LYS 30 Ca 0.28 0.06 -0.09 0.00 -2.02 0.00 0.00 58.31 56.54 2crr n LYS 30 Cb 0.84 -1.66 -0.11 0.00 -0.02 0.00 0.00 35.03 34.07 2crr n LYS 30 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2crr s TYR 31 N -3.19 0.50 0.95 2.13 1.51 -1.26 -3.53 117.35 114.47 2crr s TYR 31 Ca 0.05 -0.76 -0.15 0.00 -1.01 0.00 0.00 57.07 55.20 2crr s TYR 31 Cb 0.13 -0.34 -0.06 0.00 -0.11 0.00 0.00 41.96 41.58 2crr s TYR 31 CO 0.75 -0.23 -0.19 0.00 -1.11 0.00 0.00 175.55 174.77 2crr n ALA 33 N -2.95 2.45 0.02 0.00 0.00 -1.03 -3.26 120.51 115.74 2crr n ALA 33 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2crr n ALA 33 Cb 0.54 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.88 0.06 -0.31 0.00 8.00 -1.26 -4.85 116.55 119.07 2crr n ASP 34 Ca 0.17 0.07 0.15 0.00 0.71 0.00 0.00 54.79 55.88 2crr n ASP 34 Cb 0.43 0.02 0.64 0.00 -0.02 0.00 0.00 41.12 42.19 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 -0.27 -3.48 -0.44 0.00 4.07 -1.20 -4.88 120.64 114.44 2crr n GLU 36 Ca 0.20 0.41 -0.28 0.00 -0.06 0.00 0.00 57.16 57.42 2crr n GLU 36 Cb 0.28 -5.01 0.26 0.00 -0.06 0.00 0.00 31.44 26.91 2crr n GLU 36 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2crr n ALA 37 N -4.43 -4.38 -3.59 4.31 0.00 -1.26 -4.43 120.51 106.72 2crr n ALA 37 Ca -0.02 -1.46 -0.38 0.00 0.00 0.00 0.00 53.44 51.58 2crr n ALA 37 Cb 0.54 -0.12 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 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 -5.05 2.29 0.00 0.00 1.02 -1.26 -3.09 119.74 113.65 2crr s LYS 38 Ca 0.64 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.98 2crr s LYS 38 Cb -0.10 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 2crr s LYS 38 CO 0.52 -1.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 2crr n GLY 39 N 4.74 0.89 3.57 -3.33 0.00 -1.23 -5.00 105.19 104.82 2crr n GLY 39 Ca -0.07 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.91 2.54 0.00 1.61 0.04 -1.26 -4.84 135.00 131.18 2crr s PRO 40 Ca 0.00 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 60.46 2crr s PRO 40 Cb 0.00 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.42 2crr s PRO 40 CO 0.00 -3.57 0.62 -2.13 0.04 0.00 0.00 177.00 171.96 2crr n ARG 41 N 8.67 0.00 -0.85 4.56 3.00 -1.26 -4.60 116.66 126.18 2crr n ARG 41 Ca 0.42 0.22 -0.34 0.00 -0.00 0.00 0.00 57.85 58.14 2crr n ARG 41 Cb 0.47 -1.15 0.10 0.00 0.00 0.00 0.00 32.46 31.88 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 -1.15 -2.51 -3.66 -0.14 7.02 -1.16 -4.64 117.44 111.20 2crr n TRP 42 Ca 0.00 0.19 -0.12 0.00 -1.02 0.00 0.00 57.50 56.55 2crr n TRP 42 Cb 0.00 -1.59 -0.08 0.00 -2.42 0.00 0.00 31.31 27.22 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 -2.21 -1.59 -0.50 6.99 0.00 -1.24 -2.20 121.76 121.01 2crr s ALA 43 Ca 0.49 1.93 -0.17 0.00 0.00 0.00 0.00 51.96 54.21 2crr s ALA 43 Cb -0.15 -1.13 0.07 0.00 0.00 0.00 0.00 23.12 21.92 2crr s ALA 43 CO 0.71 -0.32 0.52 0.45 0.00 0.00 0.00 175.76 177.13 2crr s SER 44 N 0.78 6.19 0.01 0.00 0.15 0.45 -4.04 113.70 117.23 2crr s SER 44 Ca -0.04 -1.17 -0.24 0.00 0.70 0.00 0.00 55.95 55.21 2crr s SER 44 Cb -0.05 -2.24 -0.17 0.00 -1.71 0.00 0.00 66.02 61.84 2crr s SER 44 CO -0.06 -0.80 1.32 4.11 1.20 0.00 0.00 173.24 179.02 2crr h TRP 45 N 8.90 0.17 -1.23 3.44 5.08 -1.82 0.36 115.95 130.85 2crr h TRP 45 Ca -0.28 -0.05 0.44 0.00 1.08 0.00 0.00 58.89 60.09 2crr h TRP 45 Cb 1.10 -0.04 -0.14 0.00 -3.00 0.00 0.00 29.16 27.08 2crr h TRP 45 CO 0.71 0.56 0.76 -1.71 -1.28 0.00 0.00 178.44 177.48 2crr n ASN 46 N -4.75 0.24 -0.13 0.11 5.15 -1.26 -0.92 115.26 113.69 2crr n ASN 46 Ca -0.07 1.39 -0.22 0.00 -0.60 0.00 0.00 54.58 55.08 2crr n ASN 46 Cb 0.28 -0.68 -0.11 0.00 -0.53 0.00 0.00 39.78 38.73 2crr n ASN 46 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2crr n ILE 47 N -4.76 1.51 0.00 -1.44 5.41 -1.18 -4.97 119.36 113.94 2crr n ILE 47 Ca 0.38 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.62 2crr n ILE 47 Cb 1.43 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.77 2crr n ILE 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2crr n GLY 48 N 1.91 0.78 3.21 7.39 0.00 0.12 -4.74 105.19 113.87 2crr n GLY 48 Ca -0.48 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.48 0.09 -0.20 1.61 -7.23 -0.79 -0.28 120.40 112.12 2crr s VAL 49 Ca 0.00 -0.71 -0.15 0.00 -1.81 0.00 0.00 61.98 59.31 2crr s VAL 49 Cb 0.00 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 36.07 2crr s VAL 49 CO 0.00 -0.39 0.34 -0.36 -0.31 0.00 0.00 175.10 174.38 2crr s PHE 50 N -2.21 3.38 0.20 2.82 0.08 -1.26 -0.41 117.98 120.58 2crr s PHE 50 Ca -0.08 0.55 0.08 0.00 0.12 0.00 0.00 56.93 57.60 2crr s PHE 50 Cb -0.02 -2.45 -0.05 0.00 -0.57 0.00 0.00 43.02 39.93 2crr s PHE 50 CO -0.02 0.04 -0.15 0.96 -0.10 0.00 0.00 175.22 175.96 2crr s ILE 51 N 1.12 1.76 0.64 0.64 -4.36 -0.93 -2.45 121.20 117.62 2crr s ILE 51 Ca 0.17 -2.19 -0.11 0.00 -0.26 0.00 0.00 60.65 58.26 2crr s ILE 51 Cb -0.14 -2.03 0.15 0.00 1.25 0.00 0.00 42.46 41.69 2crr s ILE 51 CO 0.07 -0.57 0.73 0.00 0.24 0.00 0.00 174.94 175.41 2crr h ILE 53 N -1.78 1.47 0.05 0.00 2.10 -1.92 -2.20 117.51 115.23 2crr h ILE 53 Ca -0.25 -1.60 0.02 0.00 1.08 0.00 0.00 64.86 64.11 2crr h ILE 53 Cb 0.72 2.43 -0.05 0.00 -1.09 0.00 0.00 36.82 38.82 2crr h ILE 53 CO 0.17 0.44 -0.45 -0.09 -1.08 0.00 0.00 178.15 177.14 2crr h ARG 54 N -0.40 -0.62 -0.25 2.19 1.12 -2.02 -2.47 114.38 111.93 2crr h ARG 54 Ca -0.01 0.04 0.02 0.00 -1.11 0.00 0.00 59.98 58.93 2crr h ARG 54 Cb 0.79 0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 30.87 2crr h ARG 54 CO 0.03 -0.41 0.10 0.00 -3.11 0.00 0.00 179.97 176.58 2crr n ALA 56 N -2.24 0.50 -0.26 0.00 0.00 -0.83 0.12 120.51 117.80 2crr n ALA 56 Ca -0.02 0.97 0.02 0.00 0.00 0.00 0.00 53.44 54.42 2crr n ALA 56 Cb 0.08 -0.73 0.15 0.00 0.00 0.00 0.00 19.45 18.95 2crr n ALA 56 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2crr h GLY 57 N 0.00 1.16 0.96 0.00 0.00 -1.20 -2.17 103.07 101.82 2crr h GLY 57 Ca 0.57 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 2crr h GLY 57 CO -0.84 0.07 0.15 -2.22 0.00 0.00 0.00 176.54 173.70 2crr h ILE 58 N 0.67 1.12 -0.58 2.60 2.04 0.85 -2.90 117.51 121.30 2crr h ILE 58 Ca 0.37 -0.31 0.12 0.00 1.00 0.00 0.00 64.86 66.05 2crr h ILE 58 Cb 0.39 0.83 -0.10 0.00 -0.74 0.00 0.00 36.82 37.19 2crr h ILE 58 CO -0.27 0.12 -0.07 0.45 0.00 0.00 0.00 178.15 178.38 2crr h HIS 59 N 0.33 -0.16 -0.81 1.37 3.86 -0.99 0.18 115.15 118.92 2crr h HIS 59 Ca 0.10 0.05 0.16 0.00 -1.16 0.00 0.00 60.37 59.51 2crr h HIS 59 Cb 0.05 0.16 -0.10 0.00 1.06 0.00 0.00 27.41 28.59 2crr h HIS 59 CO -0.04 -0.20 0.36 0.00 0.86 0.00 0.00 177.93 178.92 2crr h ARG 60 N 0.06 0.48 -0.50 2.45 3.08 -1.28 -0.73 114.38 117.94 2crr h ARG 60 Ca 0.29 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.38 2crr h ARG 60 Cb 0.46 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 2crr h ARG 60 CO -0.54 0.32 0.18 -0.91 -1.07 0.00 0.00 179.97 177.94 2crr h ASN 61 N 0.50 0.18 -0.83 7.04 2.35 -0.91 -2.41 115.58 121.49 2crr h ASN 61 Ca 0.46 0.06 0.15 0.00 -0.55 0.00 0.00 56.30 56.42 2crr h ASN 61 Cb 0.71 0.05 -0.15 0.00 0.05 0.00 0.00 38.32 38.98 2crr h ASN 61 CO -0.41 0.13 -0.28 -0.07 -1.65 0.00 0.00 177.43 175.15 2crr h LEU 62 N 0.35 -1.01 0.00 1.61 3.38 -0.89 -3.47 115.31 115.28 2crr h LEU 62 Ca 0.24 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.47 2crr h LEU 62 Cb 0.25 0.59 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2crr h LEU 62 CO -0.24 -0.29 0.00 0.61 0.09 0.00 0.00 178.44 178.61 2crr n GLY 63 N -1.51 4.28 0.00 0.83 0.00 -0.91 -4.70 105.19 103.18 2crr n GLY 63 Ca 0.10 -1.37 0.02 0.00 0.00 0.00 0.00 46.02 44.77 2crr n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2crr n VAL 64 N -1.62 1.49 -0.02 1.61 0.24 -1.26 -0.90 118.33 117.87 2crr n VAL 64 Ca 0.00 0.37 -0.02 0.00 -2.04 0.00 0.00 64.34 62.65 2crr n VAL 64 Cb 0.00 -1.30 -0.12 0.00 -1.47 0.00 0.00 33.84 30.95 2crr n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2crr n HIS 65 N -1.44 0.55 -0.10 6.34 -0.00 -1.26 -4.50 115.22 114.81 2crr n HIS 65 Ca 0.01 0.19 -0.23 0.00 -0.00 0.00 0.00 57.72 57.69 2crr n HIS 65 Cb 0.05 -0.98 -0.11 0.00 -0.00 0.00 0.00 29.99 28.94 2crr n HIS 65 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2crr n ILE 66 N -2.76 1.56 -3.66 0.61 5.41 -0.27 -4.99 119.36 115.26 2crr n ILE 66 Ca -0.16 -0.19 -0.08 0.00 1.00 0.00 0.00 62.75 63.32 2crr n ILE 66 Cb 0.91 -1.95 -0.09 0.00 -0.71 0.00 0.00 39.64 37.80 2crr n ILE 66 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2crr s SER 67 N -7.01 -0.74 -0.27 4.38 1.04 -0.08 -4.86 113.70 106.17 2crr s SER 67 Ca -0.30 1.23 -0.10 0.00 0.48 0.00 0.00 55.95 57.26 2crr s SER 67 Cb 0.08 1.18 -0.04 0.00 0.10 0.00 0.00 66.02 67.34 2crr s SER 67 CO 0.59 -0.22 0.15 -0.13 0.98 0.00 0.00 173.24 174.61 2crr s ARG 68 N 1.66 3.85 -0.11 4.02 0.52 -1.26 -4.25 118.95 123.39 2crr s ARG 68 Ca -0.09 -0.37 -0.13 0.00 -0.52 0.00 0.00 55.73 54.62 2crr s ARG 68 Cb -0.07 -3.54 -0.05 0.00 0.52 0.00 0.00 34.95 31.81 2crr s ARG 68 CO -0.17 -0.17 0.29 0.08 0.02 0.00 0.00 175.30 175.36 2crr s VAL 69 N 1.67 5.27 0.01 3.52 1.01 -1.26 -4.06 120.40 126.56 2crr s VAL 69 Ca 0.07 0.56 -0.26 0.00 0.00 0.00 0.00 61.98 62.35 2crr s VAL 69 Cb -0.16 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.67 2crr s VAL 69 CO 0.08 0.48 0.59 -1.59 0.00 0.00 0.00 175.10 174.66 2crr s LYS 70 N -0.19 1.06 0.49 2.72 -2.85 -1.26 -5.04 119.74 114.66 2crr s LYS 70 Ca 0.18 -0.03 -0.23 0.00 -1.00 0.00 0.00 55.97 54.89 2crr s LYS 70 Cb -0.14 0.49 -0.06 0.00 -2.06 0.00 0.00 37.83 36.06 2crr s LYS 70 CO 0.06 -0.37 1.26 -1.12 0.10 0.00 0.00 175.35 175.29 2crr s SER 71 N -1.66 5.81 0.13 0.03 0.01 -1.26 -3.73 113.70 113.03 2crr s SER 71 Ca -0.08 2.54 -0.12 0.00 1.31 0.00 0.00 55.95 59.60 2crr s SER 71 Cb -0.01 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 2crr s SER 71 CO 0.03 -1.18 1.48 0.58 0.41 0.00 0.00 173.24 174.55 2crr h VAL 72 N 1.78 1.28 0.00 3.43 2.07 -1.87 -3.30 116.25 119.64 2crr h VAL 72 Ca -0.50 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 2crr h VAL 72 Cb 1.27 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2crr h VAL 72 CO 0.59 0.48 -0.70 -3.20 0.02 0.00 0.00 177.57 174.77 2crr n ASN 73 N -4.16 0.86 0.15 0.57 5.15 -1.26 -4.63 115.26 111.94 2crr n ASN 73 Ca -0.02 0.13 0.13 0.00 -0.60 0.00 0.00 54.58 54.21 2crr n ASN 73 Cb 0.49 -0.30 0.35 0.00 -0.53 0.00 0.00 39.78 39.79 2crr n ASN 73 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2crr h LEU 74 N -0.19 0.00 -9.77 1.20 4.07 -1.99 -3.39 115.31 105.25 2crr h LEU 74 Ca -0.06 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.34 2crr h LEU 74 Cb 0.62 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.27 2crr h LEU 74 CO -0.04 0.00 -0.55 -0.62 -1.08 0.00 0.00 178.44 176.15 2crr s ASP 75 N -3.62 4.54 0.23 -0.43 2.15 -1.24 -4.97 116.67 113.34 2crr s ASP 75 Ca -0.02 -0.85 -0.06 0.00 0.43 0.00 0.00 52.55 52.05 2crr s ASP 75 Cb 0.07 -0.66 -0.06 0.00 -0.30 0.00 0.00 42.92 41.97 2crr s ASP 75 CO 0.24 -0.30 0.51 -1.10 -0.17 0.00 0.00 175.17 174.35 2crr s GLN 76 N -3.82 3.68 0.33 4.34 1.11 -1.26 -4.81 119.66 119.23 2crr s GLN 76 Ca 0.37 0.07 0.03 0.00 0.01 0.00 0.00 55.36 55.84 2crr s GLN 76 Cb -0.01 -2.70 -0.04 0.00 -1.01 0.00 0.00 33.01 29.25 2crr s GLN 76 CO 0.22 0.31 0.12 -1.58 0.01 0.00 0.00 175.29 174.37 2crr s TRP 77 N -1.89 1.72 0.02 0.91 0.52 -1.26 -5.03 118.94 113.92 2crr s TRP 77 Ca 0.44 -1.24 0.00 0.00 0.02 0.00 0.00 56.10 55.33 2crr s TRP 77 Cb -0.11 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.16 2crr s TRP 77 CO 0.26 -0.33 -0.03 0.95 0.02 0.00 0.00 176.95 177.82 2crr s THR 78 N -3.46 0.16 0.27 2.01 -4.23 -1.26 -5.04 115.64 104.09 2crr s THR 78 Ca 0.33 -0.82 -0.05 0.00 -1.18 0.00 0.00 61.69 59.97 2crr s THR 78 Cb 0.05 -0.28 0.37 0.00 1.34 0.00 0.00 72.50 73.99 2crr s THR 78 CO 0.16 -0.42 1.59 0.00 -0.54 0.00 0.00 174.62 175.41 2crr h ALA 79 N 4.82 0.83 -0.67 3.99 0.00 -2.02 0.43 119.26 126.64 2crr h ALA 79 Ca -0.32 0.32 0.14 0.00 0.00 0.00 0.00 54.91 55.06 2crr h ALA 79 Cb 1.21 0.59 -0.11 0.00 0.00 0.00 0.00 17.79 19.48 2crr h ALA 79 CO 0.42 -0.46 0.06 1.49 0.00 0.00 0.00 179.25 180.76 2crr h GLU 80 N 0.03 0.16 -0.08 0.00 4.57 -2.00 0.22 114.58 117.47 2crr h GLU 80 Ca 0.48 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 58.44 2crr h GLU 80 Cb 0.86 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2crr h GLU 80 CO -0.86 0.10 -0.81 1.96 -1.18 0.00 0.00 179.01 178.22 2crr h GLN 81 N 0.16 0.55 0.53 1.92 4.20 -0.73 -3.25 115.11 118.49 2crr h GLN 81 Ca 0.36 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2crr h GLN 81 Cb 0.60 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 2crr h GLN 81 CO -0.54 1.11 -0.44 0.82 -0.67 0.00 0.00 178.83 179.11 2crr h ILE 82 N 0.36 0.00 -1.07 2.54 1.08 0.10 -2.17 117.51 118.35 2crr h ILE 82 Ca -0.05 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 64.74 2crr h ILE 82 Cb 1.42 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.04 2crr h ILE 82 CO 0.15 0.00 0.65 -0.61 -0.69 0.00 0.00 178.15 177.65 2crr h GLN 83 N -0.95 0.32 0.07 2.37 5.75 -1.14 0.15 115.11 121.68 2crr h GLN 83 Ca -0.07 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2crr h GLN 83 Cb 0.80 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.28 2crr h GLN 83 CO -0.01 0.21 -0.03 0.00 -2.65 0.00 0.00 178.83 176.35 2crr h MET 85 N -0.10 0.12 0.03 0.00 2.86 -0.19 0.18 114.93 117.82 2crr h MET 85 Ca -0.01 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2crr h MET 85 Cb 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2crr h MET 85 CO 0.02 0.08 -0.01 1.96 1.06 0.00 0.00 176.91 180.01 2crr h GLN 86 N 0.12 -0.03 -0.87 1.72 7.50 -1.41 0.26 115.11 122.39 2crr h GLN 86 Ca 0.56 0.00 0.23 0.00 0.50 0.00 0.00 58.65 59.94 2crr h GLN 86 Cb 1.16 0.01 -0.15 0.00 0.05 0.00 0.00 27.48 28.55 2crr h GLN 86 CO -0.75 0.65 0.10 -0.44 -1.50 0.00 0.00 178.83 176.89 2crr h ASP 87 N -0.93 -0.26 0.00 1.46 5.19 0.35 -3.30 116.42 118.93 2crr h ASP 87 Ca -0.00 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2crr h ASP 87 Cb 0.70 0.36 0.00 0.00 0.18 0.00 0.00 39.33 40.57 2crr h ASP 87 CO 0.01 -0.23 0.00 0.80 -3.12 0.00 0.00 179.24 176.70 2crr n MET 88 N -5.35 0.00 -1.33 3.56 1.56 0.53 -4.93 117.12 111.17 2crr n MET 88 Ca 0.19 0.07 0.18 0.00 -0.27 0.00 0.00 57.70 57.87 2crr n MET 88 Cb 0.64 -0.49 -0.05 0.00 2.15 0.00 0.00 33.22 35.47 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 1.74 -1.77 0.25 -5.12 0.00 0.90 -3.15 105.19 98.04 2crr n GLY 89 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.24 0.74 0.00 1.61 4.21 -1.84 -2.73 115.58 116.34 2crr h ASN 90 Ca 0.02 -0.30 0.00 0.00 1.21 0.00 0.00 56.30 57.23 2crr h ASN 90 Cb 1.31 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 2crr h ASN 90 CO 0.01 1.00 0.00 0.41 -1.29 0.00 0.00 177.43 177.56 2crr n THR 91 N -4.08 0.00 -0.16 2.81 -1.04 -1.26 -1.13 114.28 109.42 2crr n THR 91 Ca -0.01 1.42 -0.07 0.00 -2.04 0.00 0.00 64.05 63.36 2crr n THR 91 Cb 0.48 -2.00 0.02 0.00 -1.82 0.00 0.00 70.33 67.01 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 0.57 -0.99 -2.82 6.56 -1.65 -2.41 116.57 115.84 2crr h LYS 92 Ca 0.00 -0.03 0.36 0.00 -1.06 0.00 0.00 60.65 59.91 2crr h LYS 92 Cb 0.00 -0.13 -0.17 0.00 -0.57 0.00 0.00 32.23 31.36 2crr h LYS 92 CO 0.00 0.38 0.42 0.00 -2.06 0.00 0.00 179.45 178.19 2crr h ALA 93 N 1.20 1.86 -0.13 3.86 0.00 -1.08 0.59 119.26 125.57 2crr h ALA 93 Ca 0.19 0.27 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 2crr h ALA 93 Cb -0.01 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2crr h ALA 93 CO -0.07 -0.77 -0.30 -0.09 0.00 0.00 0.00 179.25 178.02 2crr h ARG 94 N 0.08 0.42 0.00 0.00 2.43 -0.61 0.39 114.38 117.09 2crr h ARG 94 Ca 0.76 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 2crr h ARG 94 Cb 1.85 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 2crr h ARG 94 CO -0.76 0.90 0.00 1.28 -1.51 0.00 0.00 179.97 179.88 2crr n LEU 95 N -4.41 0.00 -0.00 3.80 4.77 0.17 -1.35 117.00 119.97 2crr n LEU 95 Ca -0.07 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.19 2crr n LEU 95 Cb 0.47 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2crr n LEU 95 CO 0.42 -0.14 -0.04 -0.11 -1.33 0.00 0.00 177.39 176.19 2crr n LEU 96 N -1.28 0.22 -0.03 2.23 -0.00 0.99 -4.51 117.00 114.61 2crr n LEU 96 Ca 0.07 0.03 -0.13 0.00 -0.00 0.00 0.00 56.01 55.99 2crr n LEU 96 Cb 0.12 -0.26 -0.08 0.00 -0.00 0.00 0.00 43.42 43.19 2crr n LEU 96 CO 0.12 -0.51 0.65 1.88 -0.00 0.00 0.00 177.39 179.53 2crr h TYR 97 N -0.06 0.16 -0.23 1.96 -1.99 -0.34 -3.03 116.97 113.44 2crr h TYR 97 Ca 0.00 -0.04 -0.13 0.00 2.00 0.00 0.00 58.73 60.56 2crr h TYR 97 Cb 0.06 -0.04 -0.07 0.00 2.00 0.00 0.00 36.73 38.69 2crr h TYR 97 CO -0.03 0.55 0.17 0.39 -0.00 0.00 0.00 178.16 179.24 2crr n GLU 98 N -4.76 1.32 -0.11 4.88 1.02 -0.46 -3.77 120.64 118.75 2crr n GLU 98 Ca -0.07 -0.70 -0.14 0.00 -0.02 0.00 0.00 57.16 56.22 2crr n GLU 98 Cb 0.27 -1.28 -0.13 0.00 -0.02 0.00 0.00 31.44 30.28 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 0.43 1.49 -0.54 0.62 0.00 -1.09 -4.36 120.51 117.06 2crr n ALA 99 Ca 0.14 -1.15 0.02 0.00 0.00 0.00 0.00 53.44 52.45 2crr n ALA 99 Cb 0.68 -0.11 0.29 0.00 0.00 0.00 0.00 19.45 20.32 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 -3.01 4.58 -4.85 0.00 3.02 -1.25 -4.96 115.26 108.80 2crr n ASN 100 Ca -0.39 -2.82 -0.32 0.00 -0.03 0.00 0.00 54.58 51.03 2crr n ASN 100 Cb 1.03 -0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 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 -2.24 3.55 0.59 3.41 1.43 -1.26 -4.80 118.68 119.36 2crr s LEU 101 Ca 0.43 1.55 -0.18 0.00 -1.03 0.00 0.00 54.13 54.91 2crr s LEU 101 Cb 0.34 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 2crr s LEU 101 CO 0.12 -0.66 1.12 -2.16 0.23 0.00 0.00 176.35 175.00 2crr s PRO 102 N -4.27 3.12 0.32 1.29 0.04 -1.26 -4.93 135.00 129.31 2crr s PRO 102 Ca 0.58 1.52 0.05 0.00 0.04 0.00 0.00 61.00 63.19 2crr s PRO 102 Cb -0.10 -1.98 0.69 0.00 0.04 0.00 0.00 34.50 33.15 2crr s PRO 102 CO 0.35 -1.02 1.84 1.49 0.04 0.00 0.00 177.00 179.70 2crr h GLU 103 N 0.70 0.81 -0.97 4.56 4.57 -2.00 -0.58 114.58 121.68 2crr h GLU 103 Ca -0.49 -0.05 -0.66 0.00 -1.18 0.00 0.00 59.36 56.99 2crr h GLU 103 Cb 1.26 -0.18 -0.31 0.00 -0.16 0.00 0.00 28.75 29.36 2crr h GLU 103 CO 0.56 0.54 0.67 0.27 -1.18 0.00 0.00 179.01 179.86 2crr n ASN 104 N -4.62 7.24 -4.75 1.04 0.23 -1.26 -5.01 115.26 108.12 2crr n ASN 104 Ca 0.19 -3.78 -0.37 0.00 -0.53 0.00 0.00 54.58 50.09 2crr n ASN 104 Cb 0.44 -0.90 0.03 0.00 -2.08 0.00 0.00 39.78 37.27 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 -3.78 2.40 -0.18 -2.53 5.36 -0.23 -5.03 117.98 113.99 2crr s PHE 105 Ca 0.63 1.45 -0.06 0.00 -0.96 0.00 0.00 56.93 57.99 2crr s PHE 105 Cb 0.50 -3.64 0.08 0.00 -0.34 0.00 0.00 43.02 39.62 2crr s PHE 105 CO -0.00 -2.49 0.36 0.50 -1.46 0.00 0.00 175.22 172.13 2crr s ARG 106 N -3.01 0.26 0.28 10.12 6.06 -1.26 -5.04 118.95 126.36 2crr s ARG 106 Ca 0.72 0.91 -0.30 0.00 -2.50 0.00 0.00 55.73 54.56 2crr s ARG 106 Cb -0.36 0.16 -0.12 0.00 0.06 0.00 0.00 34.95 34.69 2crr s ARG 106 CO 0.41 -0.29 1.50 0.54 -2.50 0.00 0.00 175.30 174.96 2crr n ARG 107 N 5.38 2.41 -2.25 5.12 1.74 -1.26 -4.94 116.66 122.85 2crr n ARG 107 Ca -0.07 0.85 -0.40 0.00 -0.77 0.00 0.00 57.85 57.46 2crr n ARG 107 Cb 0.50 -2.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.33 2crr n ARG 107 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2crr s PRO 108 N -0.63 4.42 -0.23 5.56 0.04 -1.26 -4.97 135.00 137.93 2crr s PRO 108 Ca 0.65 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.76 2crr s PRO 108 Cb -0.56 -3.07 -0.19 0.00 0.04 0.00 0.00 34.50 30.72 2crr s PRO 108 CO 0.50 -0.07 -0.11 0.94 0.04 0.00 0.00 177.00 178.31 2crr n GLN 109 N 0.85 0.67 -2.94 4.56 -0.06 -1.26 -4.78 117.38 114.41 2crr n GLN 109 Ca 0.00 0.14 -0.40 0.00 -2.00 0.00 0.00 57.00 54.74 2crr n GLN 109 Cb 0.43 -1.54 -0.06 0.00 -4.06 0.00 0.00 30.24 25.01 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 -2.52 4.48 0.12 1.69 -4.23 -1.26 -4.96 115.64 108.96 2crr s THR 110 Ca -0.30 1.74 -0.24 0.00 -1.18 0.00 0.00 61.69 61.72 2crr s THR 110 Cb 0.08 -4.16 -0.06 0.00 1.34 0.00 0.00 72.50 69.70 2crr s THR 110 CO 0.65 0.45 1.67 -2.24 -0.54 0.00 0.00 174.62 174.62 2crr h ASP 111 N 4.88 -0.45 -1.07 3.99 2.03 -1.98 -1.21 116.42 122.61 2crr h ASP 111 Ca -0.45 0.07 0.36 0.00 -0.73 0.00 0.00 57.03 56.28 2crr h ASP 111 Cb 1.21 0.19 -0.10 0.00 -0.83 0.00 0.00 39.33 39.80 2crr h ASP 111 CO 0.68 -0.21 0.70 0.00 -1.03 0.00 0.00 179.24 179.39 2crr n GLN 112 N -5.29 -0.02 -0.10 4.15 10.64 -1.26 -0.27 117.38 125.24 2crr n GLN 112 Ca -0.05 0.92 -0.16 0.00 -1.83 0.00 0.00 57.00 55.88 2crr n GLN 112 Cb 0.20 -1.84 -0.07 0.00 -0.86 0.00 0.00 30.24 27.67 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2crr n ALA 113 N -2.56 0.73 -0.41 2.61 0.00 -0.74 -4.31 120.51 115.84 2crr n ALA 113 Ca 0.30 -0.56 -0.09 0.00 0.00 0.00 0.00 53.44 53.09 2crr n ALA 113 Cb 1.20 -0.25 -0.07 0.00 0.00 0.00 0.00 19.45 20.33 2crr n ALA 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2crr n VAL 114 N -4.47 -0.65 -0.38 0.00 0.31 0.63 -0.32 118.33 113.45 2crr n VAL 114 Ca -0.25 2.39 -0.00 0.00 -0.01 0.00 0.00 64.34 66.46 2crr n VAL 114 Cb 0.56 -2.99 0.05 0.00 -0.91 0.00 0.00 33.84 30.55 2crr n VAL 114 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2crr h GLU 115 N 0.00 -0.00 0.65 5.55 5.08 -1.40 0.01 114.58 124.46 2crr h GLU 115 Ca 0.19 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2crr h GLU 115 Cb 0.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.70 2crr h GLU 115 CO -0.94 -0.00 -0.31 0.74 -1.00 0.00 0.00 179.01 177.49 2crr h PHE 116 N -0.00 -0.81 -0.82 4.33 0.04 -0.90 -2.31 116.94 116.47 2crr h PHE 116 Ca 0.36 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.20 2crr h PHE 116 Cb 0.61 0.27 -0.10 0.00 2.20 0.00 0.00 35.95 38.93 2crr h PHE 116 CO -0.86 -0.49 -0.45 0.34 -0.60 0.00 0.00 178.31 176.25 2crr n PHE 117 N -5.36 -0.29 -0.19 -0.55 7.35 0.56 0.81 117.46 119.79 2crr n PHE 117 Ca -0.11 1.02 -0.04 0.00 -0.76 0.00 0.00 57.45 57.56 2crr n PHE 117 Cb 0.35 -0.61 0.06 0.00 0.35 0.00 0.00 39.48 39.63 2crr n PHE 117 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2crr h ILE 118 N 0.00 1.02 0.54 -2.13 2.04 -1.10 0.47 117.51 118.35 2crr h ILE 118 Ca 0.16 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2crr h ILE 118 Cb 0.36 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2crr h ILE 118 CO -0.78 0.12 -0.29 0.03 0.00 0.00 0.00 178.15 177.23 2crr h ARG 119 N 0.64 -0.74 0.00 2.37 3.08 0.10 0.33 114.38 120.16 2crr h ARG 119 Ca 0.24 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 2crr h ARG 119 Cb 0.07 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 2crr h ARG 119 CO -0.12 -0.50 -0.00 -0.44 -1.07 0.00 0.00 179.97 177.83 2crr h ASP 120 N -0.77 0.00 0.08 7.04 3.32 -0.17 1.94 116.42 127.85 2crr h ASP 120 Ca -0.07 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.80 2crr h ASP 120 Cb 0.60 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.17 2crr h ASP 120 CO 0.10 0.00 -0.73 0.50 -1.72 0.00 0.00 179.24 177.40 2crr h LYS 121 N 0.00 0.35 0.00 3.56 3.64 0.40 -0.76 116.57 123.76 2crr h LYS 121 Ca -0.00 -0.49 -0.11 0.00 -1.27 0.00 0.00 60.65 58.78 2crr h LYS 121 Cb 0.08 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2crr h LYS 121 CO 0.00 1.18 -1.21 0.66 -2.27 0.00 0.00 179.45 177.81 2crr n TYR 122 N -4.16 0.00 -0.02 1.91 4.02 0.11 -3.38 117.16 115.65 2crr n TYR 122 Ca -0.12 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.66 2crr n TYR 122 Cb 0.76 -0.50 -0.05 0.00 -0.02 0.00 0.00 39.34 39.53 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 -0.76 -0.40 0.00 -0.72 4.81 0.29 -1.26 114.58 116.54 2crr h GLU 123 Ca -0.17 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2crr h GLU 123 Cb 0.99 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2crr h GLU 123 CO -0.10 -0.27 -0.20 0.87 -0.73 0.00 0.00 179.01 178.58 2crr h LYS 124 N -0.41 0.00 -2.98 1.92 1.79 -1.32 -3.47 116.57 112.10 2crr h LYS 124 Ca 0.10 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.16 2crr h LYS 124 Cb 0.58 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.20 2crr h LYS 124 CO -0.40 0.00 -0.52 1.63 -1.08 0.00 0.00 179.45 179.08 2crr n LYS 125 N -2.49 -1.71 0.01 3.15 4.76 -0.48 -4.91 118.16 116.49 2crr n LYS 125 Ca 0.04 1.00 -0.02 0.00 -2.87 0.00 0.00 58.31 56.47 2crr n LYS 125 Cb 0.47 -5.65 -0.01 0.00 -1.84 0.00 0.00 35.03 27.99 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 -0.07 -1.66 1.97 1.57 -1.20 -1.77 116.57 115.40 2crr h LYS 126 Ca -0.48 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.15 2crr h LYS 126 Cb 1.36 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.62 2crr h LYS 126 CO 0.58 -0.05 0.20 0.66 -0.57 0.00 0.00 179.45 180.27 2crr n TYR 127 N -2.84 0.76 -3.57 -1.35 4.02 -1.26 -4.85 117.16 108.07 2crr n TYR 127 Ca -0.01 -1.39 -0.38 0.00 -0.01 0.00 0.00 57.90 56.11 2crr n TYR 127 Cb 0.04 -0.69 -0.11 0.00 -0.02 0.00 0.00 39.34 38.57 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 -0.89 3.23 -0.54 -0.72 5.04 -0.67 -4.02 117.35 118.78 2crr s TYR 128 Ca 0.15 0.17 -0.20 0.00 -2.44 0.00 0.00 57.07 54.75 2crr s TYR 128 Cb 0.12 -2.40 0.07 0.00 0.35 0.00 0.00 41.96 40.10 2crr s TYR 128 CO 0.00 -0.15 0.71 0.34 -1.34 0.00 0.00 175.55 175.11 2crr s ASP 129 N 1.69 6.23 0.09 4.32 -1.08 -1.17 -4.90 116.67 121.85 2crr s ASP 129 Ca 0.08 -0.95 -0.11 0.00 -0.52 0.00 0.00 52.55 51.04 2crr s ASP 129 Cb -0.16 -2.32 -0.20 0.00 -1.46 0.00 0.00 42.92 38.77 2crr s ASP 129 CO 0.10 -1.03 1.21 0.07 0.52 0.00 0.00 175.17 176.04 2crr h LYS 130 N 9.13 0.62 -0.81 4.34 5.09 -1.95 -3.29 116.57 129.69 2crr h LYS 130 Ca -0.28 -0.69 0.26 0.00 0.09 0.00 0.00 60.65 60.03 2crr h LYS 130 Cb 1.09 0.20 -0.15 0.00 0.10 0.00 0.00 32.23 33.47 2crr h LYS 130 CO 1.03 1.28 0.14 0.09 -2.09 0.00 0.00 179.45 179.90 2crr n ASN 131 N -3.82 0.02 -0.12 7.07 3.02 -1.26 0.23 115.26 120.40 2crr n ASN 131 Ca -0.10 1.37 -0.11 0.00 -0.03 0.00 0.00 54.58 55.71 2crr n ASN 131 Cb 0.88 -0.55 -0.07 0.00 -0.61 0.00 0.00 39.78 39.44 2crr n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2crr h ALA 132 N 1.63 -0.57 -0.56 5.41 0.00 -1.97 -2.26 119.26 120.93 2crr h ALA 132 Ca 0.55 0.04 -0.73 0.00 0.00 0.00 0.00 54.91 54.76 2crr h ALA 132 Cb 1.25 0.97 -0.10 0.00 0.00 0.00 0.00 17.79 19.92 2crr h ALA 132 CO -0.72 -0.94 2.62 -0.89 0.00 0.00 0.00 179.25 179.31 2crr n ILE 133 N -5.41 4.98 -0.52 0.00 -0.00 0.14 -4.60 119.36 113.95 2crr n ILE 133 Ca -0.02 -4.04 0.05 0.00 -0.00 0.00 0.00 62.75 58.74 2crr n ILE 133 Cb 0.35 -2.20 0.32 0.00 -0.00 0.00 0.00 39.64 38.11 2crr n ILE 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2crr n ALA 134 N 2.32 3.66 -1.40 -1.39 0.00 -0.85 -4.23 120.51 118.61 2crr n ALA 134 Ca 0.62 -1.55 -0.15 0.00 0.00 0.00 0.00 53.44 52.36 2crr n ALA 134 Cb 0.26 -1.11 0.17 0.00 0.00 0.00 0.00 19.45 18.77 2crr n ALA 134 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2crr n ILE 135 N 0.45 2.89 -2.42 0.00 -6.64 -1.26 -4.98 119.36 107.40 2crr n ILE 135 Ca 0.23 -2.56 -0.43 0.00 -1.77 0.00 0.00 62.75 58.22 2crr n ILE 135 Cb 1.02 -0.49 -0.02 0.00 -1.44 0.00 0.00 39.64 38.71 2crr n ILE 135 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2crr s SER 136 N -2.10 6.73 -0.39 7.28 0.15 -1.26 -4.94 113.70 119.17 2crr s SER 136 Ca 0.51 1.31 0.05 0.00 0.70 0.00 0.00 55.95 58.52 2crr s SER 136 Cb 0.44 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 62.40 2crr s SER 136 CO 0.04 -1.01 0.70 -0.83 1.20 0.00 0.00 173.24 173.34 2crr s GLY 137 N 2.63 -1.32 -0.29 9.45 0.00 -1.26 -5.12 107.32 111.41 2crr s GLY 137 Ca 0.56 0.43 -0.29 0.00 0.00 0.00 0.00 44.72 45.42 2crr s GLY 137 CO 0.21 3.78 1.66 2.56 0.00 0.00 0.00 173.10 181.32 2crr s PRO 138 N 1.89 3.58 0.36 2.90 0.04 -1.26 -4.99 135.00 137.52 2crr s PRO 138 Ca 0.16 1.47 0.07 0.00 0.04 0.00 0.00 61.00 62.74 2crr s PRO 138 Cb -0.03 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.34 2crr s PRO 138 CO -0.09 -1.56 -0.03 -1.12 0.04 0.00 0.00 177.00 174.25 2crr s SER 139 N 4.94 3.50 0.27 6.66 0.01 -1.26 -5.10 113.70 122.72 2crr s SER 139 Ca 0.73 -1.29 -0.29 0.00 1.31 0.00 0.00 55.95 56.42 2crr s SER 139 Cb -0.22 -0.31 -0.14 0.00 0.21 0.00 0.00 66.02 65.55 2crr s SER 139 CO 0.32 -0.37 1.02 -1.54 0.41 0.00 0.00 173.24 173.07 2crr n SER 140 N -0.83 1.24 -0.35 2.44 3.41 -1.26 -5.35 113.62 112.93 2crr n SER 140 Ca -0.05 1.17 0.04 0.00 -0.26 0.00 0.00 58.87 59.78 2crr n SER 140 Cb 0.65 -1.27 0.04 0.00 -0.26 0.00 0.00 64.21 63.37 2crr n SER 140 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49