#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 6.59 0.01 1.61 0.15 -1.26 -5.02 113.70 115.79 2crr s SER 2 Ca 0.00 0.36 0.08 0.00 0.70 0.00 0.00 55.95 57.09 2crr s SER 2 Cb 0.00 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2crr s SER 2 CO 0.00 -1.11 -0.26 -0.55 1.20 0.00 0.00 173.24 172.52 2crr s SER 3 N 2.28 3.15 -0.32 5.45 0.15 -1.26 -5.04 113.70 118.12 2crr s SER 3 Ca 0.42 -0.51 0.04 0.00 0.70 0.00 0.00 55.95 56.60 2crr s SER 3 Cb -0.09 -0.34 0.33 0.00 -1.71 0.00 0.00 66.02 64.21 2crr s SER 3 CO 0.27 0.29 1.42 0.61 1.20 0.00 0.00 173.24 177.03 2crr n GLY 4 N 2.12 -1.60 3.00 9.45 0.00 -1.26 -5.13 105.19 111.76 2crr n GLY 4 Ca -0.16 0.91 -0.31 0.00 0.00 0.00 0.00 46.02 46.46 2crr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crr s SER 5 N -0.14 3.45 -0.07 1.61 0.15 -1.26 -5.10 113.70 112.34 2crr s SER 5 Ca 0.20 -0.91 -0.03 0.00 0.70 0.00 0.00 55.95 55.91 2crr s SER 5 Cb 0.30 -1.25 0.04 0.00 -1.71 0.00 0.00 66.02 63.39 2crr s SER 5 CO -0.21 -0.15 0.09 -0.44 1.20 0.00 0.00 173.24 173.74 2crr s SER 6 N 1.38 1.22 0.00 5.45 0.01 -1.26 -5.12 113.70 115.38 2crr s SER 6 Ca -0.02 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2crr s SER 6 Cb -0.16 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2crr s SER 6 CO -0.08 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2crr n GLY 7 N 5.30 2.93 2.95 3.44 0.00 -1.26 -5.11 105.19 113.44 2crr n GLY 7 Ca -0.04 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 3.46 1.67 -0.14 1.61 1.02 -1.26 -4.96 119.74 121.14 2crr s LYS 8 Ca 0.00 -2.22 -0.18 0.00 0.02 0.00 0.00 55.97 53.59 2crr s LYS 8 Cb 0.00 -3.14 -0.16 0.00 -0.52 0.00 0.00 37.83 34.02 2crr s LYS 8 CO 0.00 -1.04 0.36 0.00 -0.92 0.00 0.00 175.35 173.75 2crr h ALA 9 N 7.02 0.05 -1.33 5.17 0.00 -2.00 -2.67 119.26 125.51 2crr h ALA 9 Ca -0.06 -0.52 0.44 0.00 0.00 0.00 0.00 54.91 54.76 2crr h ALA 9 Cb 0.95 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 2crr h ALA 9 CO 0.60 0.20 0.86 -0.56 0.00 0.00 0.00 179.25 180.35 2crr h GLN 10 N -1.00 0.08 0.07 0.00 -0.00 -2.00 0.26 115.11 112.52 2crr h GLN 10 Ca -0.07 -0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.39 2crr h GLN 10 Cb 0.76 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 28.22 2crr h GLN 10 CO -0.04 0.05 -0.90 -0.22 -0.00 0.00 0.00 178.83 177.72 2crr h LYS 11 N 0.08 0.15 -2.00 0.06 1.63 -1.99 -3.34 116.57 111.15 2crr h LYS 11 Ca 0.83 -0.26 -0.08 0.00 -0.85 0.00 0.00 60.65 60.29 2crr h LYS 11 Cb 2.60 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 34.30 2crr h LYS 11 CO -0.42 1.13 -0.16 1.28 -3.45 0.00 0.00 179.45 177.83 2crr n LEU 12 N -4.23 5.28 -2.32 5.20 4.32 0.86 -4.33 117.00 121.79 2crr n LEU 12 Ca -0.20 -2.71 -0.30 0.00 -0.02 0.00 0.00 56.01 52.78 2crr n LEU 12 Cb 0.74 -1.24 0.04 0.00 -1.62 0.00 0.00 43.42 41.34 2crr n LEU 12 CO 0.37 1.28 0.81 0.59 -1.22 0.00 0.00 177.39 179.22 2crr n ASN 13 N 1.91 6.21 -0.10 -1.43 3.02 -0.89 -4.62 115.26 119.36 2crr n ASN 13 Ca 0.17 -3.77 -0.23 0.00 -0.03 0.00 0.00 54.58 50.72 2crr n ASN 13 Cb 0.67 -0.68 -0.12 0.00 -0.61 0.00 0.00 39.78 39.04 2crr n ASN 13 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2crr n GLU 14 N -0.72 0.63 -2.46 3.52 0.28 -1.26 -4.74 120.64 115.89 2crr n GLU 14 Ca 0.51 0.30 -0.39 0.00 -0.16 0.00 0.00 57.16 57.43 2crr n GLU 14 Cb 0.71 -1.60 -0.03 0.00 1.43 0.00 0.00 31.44 31.95 2crr n GLU 14 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2crr s GLN 15 N -2.49 3.43 0.03 3.44 0.74 -1.26 -4.88 119.66 118.67 2crr s GLN 15 Ca -0.32 -1.08 -0.06 0.00 0.05 0.00 0.00 55.36 53.94 2crr s GLN 15 Cb 0.10 -5.33 -0.02 0.00 1.10 0.00 0.00 33.01 28.86 2crr s GLN 15 CO 0.60 -2.46 1.11 0.45 -0.55 0.00 0.00 175.29 174.44 2crr h HIS 16 N 9.80 -0.33 -0.79 1.67 3.86 -1.90 -0.59 115.15 126.86 2crr h HIS 16 Ca 0.21 0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.57 2crr h HIS 16 Cb 0.99 0.15 -0.13 0.00 1.06 0.00 0.00 27.41 29.48 2crr h HIS 16 CO 1.28 -0.09 -0.28 1.04 0.86 0.00 0.00 177.93 180.74 2crr n GLN 17 N -3.22 -0.16 0.09 2.45 1.13 -1.26 0.48 117.38 116.89 2crr n GLN 17 Ca -0.01 1.23 -0.12 0.00 -1.94 0.00 0.00 57.00 56.16 2crr n GLN 17 Cb 0.06 -1.82 -0.05 0.00 0.11 0.00 0.00 30.24 28.54 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 -0.67 -0.00 1.08 5.85 -1.71 -2.48 115.31 117.37 2crr h LEU 18 Ca 0.30 0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.12 2crr h LEU 18 Cb 0.50 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 2crr h LEU 18 CO -0.80 -0.32 -0.43 0.40 -0.34 0.00 0.00 178.44 176.95 2crr h ILE 19 N -0.41 0.00 -0.97 4.05 2.04 0.15 -0.28 117.51 122.10 2crr h ILE 19 Ca 0.04 0.00 0.31 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 -0.16 0.00 0.25 -0.07 0.00 0.00 0.00 178.15 178.17 2crr h LEU 20 N -0.54 -0.08 -0.57 1.44 3.38 -1.07 0.84 115.31 118.71 2crr h LEU 20 Ca 0.01 0.25 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 2crr h LEU 20 Cb 0.58 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2crr h LEU 20 CO -0.29 -0.31 0.02 0.28 0.09 0.00 0.00 178.44 178.22 2crr h SER 21 N 0.08 0.98 -0.69 -0.43 0.02 -0.77 -2.96 113.55 109.77 2crr h SER 21 Ca 0.66 -0.30 0.08 0.00 -0.84 0.00 0.00 61.79 61.39 2crr h SER 21 Cb 1.51 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 2crr h SER 21 CO -0.80 1.03 0.36 0.11 -1.14 0.00 0.00 176.83 176.40 2crr h LYS 22 N 0.89 0.61 -0.18 3.45 1.57 0.24 -1.57 116.57 121.58 2crr h LYS 22 Ca 0.16 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2crr h LYS 22 Cb 0.52 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2crr h LYS 22 CO 0.03 0.41 0.00 -0.07 -0.57 0.00 0.00 179.45 179.25 2crr h LEU 23 N 0.63 -0.06 -0.78 2.94 3.38 -1.19 -2.33 115.31 117.90 2crr h LEU 23 Ca 0.33 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.38 2crr h LEU 23 Cb 0.29 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2crr h LEU 23 CO -0.23 -0.00 0.48 -0.07 0.09 0.00 0.00 178.44 178.70 2crr h LEU 24 N 0.06 0.76 -0.75 1.67 3.38 -1.31 -2.10 115.31 117.02 2crr h LEU 24 Ca 0.08 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2crr h LEU 24 Cb 0.10 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 2crr h LEU 24 CO -0.14 0.50 0.35 0.03 0.09 0.00 0.00 178.44 179.28 2crr h ARG 25 N 0.90 0.55 -6.31 1.13 3.08 -0.78 -3.27 114.38 109.68 2crr h ARG 25 Ca 0.33 -0.03 -0.55 0.00 0.07 0.00 0.00 59.98 59.80 2crr h ARG 25 Cb 0.12 -0.12 0.22 0.00 0.08 0.00 0.00 29.97 30.27 2crr h ARG 25 CO -0.15 0.36 -1.26 0.39 -1.07 0.00 0.00 179.97 178.23 2crr n GLU 26 N -4.90 -0.06 -0.26 0.04 1.02 -0.79 -4.79 120.64 110.90 2crr n GLU 26 Ca 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.25 2crr n GLU 26 Cb 0.34 -1.34 0.07 0.00 -0.02 0.00 0.00 31.44 30.49 2crr n GLU 26 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2crr n GLU 27 N 0.81 1.63 0.00 3.49 4.07 -1.26 -3.55 120.64 125.83 2crr n GLU 27 Ca 0.03 -0.75 0.00 0.00 -0.06 0.00 0.00 57.16 56.38 2crr n GLU 27 Cb 0.54 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.43 2crr n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2crr n ASP 28 N 0.13 4.26 -1.63 4.31 2.03 -1.26 -4.71 116.55 119.67 2crr n ASP 28 Ca 0.11 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.33 2crr n ASP 28 Cb 0.64 0.15 0.23 0.00 -0.72 0.00 0.00 41.12 41.41 2crr n ASP 28 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2crr n ASN 29 N -2.34 3.61 0.17 1.67 3.02 -1.23 -4.51 115.26 115.64 2crr n ASN 29 Ca 0.00 -3.49 0.04 0.00 -0.03 0.00 0.00 54.58 51.10 2crr n ASN 29 Cb 0.50 -0.71 0.28 0.00 -0.61 0.00 0.00 39.78 39.24 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 1.53 0.00 -4.96 3.52 1.57 -1.61 -3.42 116.57 113.21 2crr h LYS 30 Ca 0.32 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.64 2crr h LYS 30 Cb 2.13 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 34.31 2crr h LYS 30 CO 0.65 0.45 -0.55 0.71 -0.57 0.00 0.00 179.45 180.14 2crr s TYR 31 N -3.57 1.69 1.05 -1.35 1.51 -1.26 -3.74 117.35 111.68 2crr s TYR 31 Ca -0.00 -1.32 -0.12 0.00 -1.01 0.00 0.00 57.07 54.62 2crr s TYR 31 Cb 0.11 -0.97 0.22 0.00 -0.11 0.00 0.00 41.96 41.21 2crr s TYR 31 CO 0.71 -0.43 1.08 0.00 -1.11 0.00 0.00 175.55 175.80 2crr n ALA 33 N -4.60 3.16 0.02 0.00 0.00 -1.15 -2.95 120.51 115.00 2crr n ALA 33 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2crr n ALA 33 Cb 0.53 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 0.03 0.44 -0.93 0.00 8.00 -1.26 -4.80 116.55 118.03 2crr n ASP 34 Ca 0.12 0.06 0.08 0.00 0.71 0.00 0.00 54.79 55.76 2crr n ASP 34 Cb 0.44 -0.13 0.22 0.00 -0.02 0.00 0.00 41.12 41.64 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 0.96 -0.89 -1.05 0.00 -0.58 -1.15 -4.77 120.64 113.15 2crr n GLU 36 Ca 0.17 0.11 -0.33 0.00 -0.42 0.00 0.00 57.16 56.69 2crr n GLU 36 Cb 0.51 -3.97 0.13 0.00 -0.57 0.00 0.00 31.44 27.54 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 -3.41 -0.23 -2.64 0.62 0.00 -1.26 -4.18 120.51 109.41 2crr n ALA 37 Ca 0.09 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 2crr n ALA 37 Cb 0.38 -2.22 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 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 -4.12 3.35 0.00 0.00 1.02 -1.26 -2.38 119.74 116.35 2crr s LYS 38 Ca 0.72 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.48 2crr s LYS 38 Cb -0.28 -4.03 0.00 0.00 -0.52 0.00 0.00 37.83 32.99 2crr s LYS 38 CO 0.52 -1.42 0.00 0.41 -0.92 0.00 0.00 175.35 173.95 2crr n GLY 39 N 5.09 0.85 3.57 -3.33 0.00 -1.25 -5.00 105.19 105.12 2crr n GLY 39 Ca 0.02 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.89 2.54 -0.01 1.61 0.04 -1.26 -4.81 135.00 131.23 2crr s PRO 40 Ca 0.00 -0.60 -0.13 0.00 0.04 0.00 0.00 61.00 60.31 2crr s PRO 40 Cb 0.00 -5.13 -0.07 0.00 0.04 0.00 0.00 34.50 29.34 2crr s PRO 40 CO 0.00 -3.59 0.76 -0.09 0.04 0.00 0.00 177.00 174.12 2crr h ARG 41 N 10.73 -0.45 -7.26 4.56 1.12 -1.93 -3.44 114.38 117.71 2crr h ARG 41 Ca 0.14 0.03 -0.50 0.00 -1.11 0.00 0.00 59.98 58.54 2crr h ARG 41 Cb 0.98 0.10 0.19 0.00 -0.01 0.00 0.00 29.97 31.23 2crr h ARG 41 CO 1.22 -0.30 0.20 -1.58 -3.11 0.00 0.00 179.97 176.39 2crr s TRP 42 N -3.30 1.71 -0.29 2.20 0.52 -0.98 -4.42 118.94 114.38 2crr s TRP 42 Ca -0.07 1.63 -0.10 0.00 0.02 0.00 0.00 56.10 57.58 2crr s TRP 42 Cb 0.01 -3.26 0.13 0.00 -1.15 0.00 0.00 33.47 29.20 2crr s TRP 42 CO 0.20 -2.88 0.64 0.00 0.02 0.00 0.00 176.95 174.93 2crr s ALA 43 N -2.66 -1.99 -0.69 0.98 0.00 -1.20 -1.53 121.76 114.68 2crr s ALA 43 Ca 0.66 2.30 -0.27 0.00 0.00 0.00 0.00 51.96 54.66 2crr s ALA 43 Cb -0.22 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.20 2crr s ALA 43 CO 0.59 -0.89 1.23 -1.12 0.00 0.00 0.00 175.76 175.57 2crr s SER 44 N 2.82 6.23 0.05 0.00 0.01 0.02 -3.91 113.70 118.92 2crr s SER 44 Ca -0.06 -0.36 -0.21 0.00 1.31 0.00 0.00 55.95 56.63 2crr s SER 44 Cb -0.12 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.44 2crr s SER 44 CO -0.19 -1.71 1.49 4.11 0.41 0.00 0.00 173.24 177.35 2crr h TRP 45 N 9.87 0.25 -1.06 2.43 5.08 -1.82 0.28 115.95 130.98 2crr h TRP 45 Ca -0.27 -0.04 0.36 0.00 1.08 0.00 0.00 58.89 60.01 2crr h TRP 45 Cb 1.05 -0.07 -0.15 0.00 -3.00 0.00 0.00 29.16 27.00 2crr h TRP 45 CO 1.09 0.46 0.62 -0.97 -1.28 0.00 0.00 178.44 178.36 2crr h ASN 46 N -0.03 0.43 0.00 0.11 -1.24 -1.90 -1.86 115.58 111.10 2crr h ASN 46 Ca 0.04 0.19 -0.23 0.00 0.71 0.00 0.00 56.30 57.00 2crr h ASN 46 Cb 0.35 0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 2crr h ASN 46 CO 0.01 -0.18 -1.27 -0.38 -1.29 0.00 0.00 177.43 174.31 2crr n ILE 47 N -5.00 1.53 0.00 2.57 5.41 -1.12 -5.02 119.36 117.73 2crr n ILE 47 Ca 0.33 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 64.06 2crr n ILE 47 Cb 1.11 -2.05 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 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 1.43 0.95 3.28 7.39 0.00 0.96 -4.85 105.19 114.35 2crr n GLY 48 Ca -0.32 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.74 0.06 -0.19 1.61 -7.23 -1.00 -1.63 120.40 110.28 2crr s VAL 49 Ca 0.00 -0.51 -0.16 0.00 -1.81 0.00 0.00 61.98 59.49 2crr s VAL 49 Cb 0.00 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 2crr s VAL 49 CO 0.00 -0.28 0.42 -0.36 -0.31 0.00 0.00 175.10 174.57 2crr s PHE 50 N -1.99 3.39 0.33 2.82 0.40 -1.26 -0.80 117.98 120.87 2crr s PHE 50 Ca -0.09 0.67 0.05 0.00 -0.60 0.00 0.00 56.93 56.95 2crr s PHE 50 Cb -0.02 -2.55 -0.07 0.00 0.51 0.00 0.00 43.02 40.89 2crr s PHE 50 CO 0.01 -0.01 0.04 0.96 0.70 0.00 0.00 175.22 176.92 2crr s ILE 51 N 1.29 1.35 0.86 0.64 -4.36 -0.58 -2.92 121.20 117.48 2crr s ILE 51 Ca 0.20 -2.01 -0.09 0.00 -0.26 0.00 0.00 60.65 58.49 2crr s ILE 51 Cb -0.15 -2.77 0.17 0.00 1.25 0.00 0.00 42.46 40.96 2crr s ILE 51 CO 0.08 -0.04 1.18 0.00 0.24 0.00 0.00 174.94 176.40 2crr h ILE 53 N -1.15 1.29 0.52 0.00 2.10 -1.92 -2.22 117.51 116.13 2crr h ILE 53 Ca -0.40 -1.66 -0.02 0.00 1.08 0.00 0.00 64.86 63.86 2crr h ILE 53 Cb 1.25 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 38.53 2crr h ILE 53 CO 0.38 0.53 -0.40 -0.09 -1.08 0.00 0.00 178.15 177.49 2crr h ARG 54 N 0.60 -0.86 -1.00 2.19 1.12 -2.02 -2.45 114.38 111.97 2crr h ARG 54 Ca 0.03 0.06 0.05 0.00 -1.11 0.00 0.00 59.98 59.02 2crr h ARG 54 Cb 1.03 0.19 -0.06 0.00 -0.01 0.00 0.00 29.97 31.12 2crr h ARG 54 CO 0.10 -0.57 0.65 0.00 -3.11 0.00 0.00 179.97 177.04 2crr h ALA 56 N 1.44 0.03 -1.01 0.00 0.00 -1.13 0.13 119.26 118.71 2crr h ALA 56 Ca 0.42 0.16 0.23 0.00 0.00 0.00 0.00 54.91 55.72 2crr h ALA 56 Cb 0.10 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 2crr h ALA 56 CO -0.15 -0.63 0.62 0.78 0.00 0.00 0.00 179.25 179.87 2crr h GLY 57 N -0.15 1.65 1.02 0.00 0.00 -1.06 -0.16 103.07 104.35 2crr h GLY 57 Ca 0.23 -0.30 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 2crr h GLY 57 CO -0.61 -0.15 -0.55 -2.22 0.00 0.00 0.00 176.54 173.02 2crr h ILE 58 N 0.59 1.32 -0.29 2.60 5.03 -0.88 -3.28 117.51 122.59 2crr h ILE 58 Ca 0.60 -1.79 0.07 0.00 -0.12 0.00 0.00 64.86 63.62 2crr h ILE 58 Cb 1.18 1.95 -0.07 0.00 -3.03 0.00 0.00 36.82 36.85 2crr h ILE 58 CO -0.39 0.56 -0.20 0.45 -0.68 0.00 0.00 178.15 177.89 2crr h HIS 59 N 0.37 -0.52 -0.70 1.37 3.86 0.54 -1.89 115.15 118.19 2crr h HIS 59 Ca -0.02 0.04 0.14 0.00 -1.16 0.00 0.00 60.37 59.37 2crr h HIS 59 Cb 1.17 0.27 -0.13 0.00 1.06 0.00 0.00 27.41 29.78 2crr h HIS 59 CO 0.09 -0.28 -0.21 0.00 0.86 0.00 0.00 177.93 178.40 2crr h ARG 60 N -0.18 -0.03 -0.64 2.45 3.08 -1.47 0.69 114.38 118.28 2crr h ARG 60 Ca 0.15 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.34 2crr h ARG 60 Cb 0.41 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.36 2crr h ARG 60 CO -0.40 -0.02 -0.03 -0.91 -1.07 0.00 0.00 179.97 177.55 2crr h ASN 61 N -0.03 -0.34 -0.84 7.04 2.35 -1.42 -1.46 115.58 120.88 2crr h ASN 61 Ca 0.32 0.17 0.14 0.00 -0.55 0.00 0.00 56.30 56.38 2crr h ASN 61 Cb 0.53 0.30 -0.14 0.00 0.05 0.00 0.00 38.32 39.06 2crr h ASN 61 CO -0.73 -0.14 -0.29 0.18 -1.65 0.00 0.00 177.43 174.80 2crr n LEU 62 N -5.32 -0.46 0.00 1.61 4.77 0.23 -4.85 117.00 112.99 2crr n LEU 62 Ca 0.09 1.46 0.00 0.00 -0.03 0.00 0.00 56.01 57.53 2crr n LEU 62 Cb 0.37 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2crr n LEU 62 CO 0.09 -1.34 0.00 0.61 -1.33 0.00 0.00 177.39 175.42 2crr n GLY 63 N -1.44 4.68 0.43 -0.72 0.00 -0.55 -4.77 105.19 102.82 2crr n GLY 63 Ca 0.10 -0.96 0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 0.36 0.00 1.61 -1.51 -1.77 0.81 116.25 115.75 2crr h VAL 64 Ca 0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.33 2crr h VAL 64 Cb 0.00 0.53 -0.02 0.00 -2.13 0.00 0.00 31.29 29.67 2crr h VAL 64 CO 0.00 0.00 -0.66 1.12 -1.23 0.00 0.00 177.57 176.80 2crr h HIS 65 N 0.00 0.00 0.00 5.19 -0.00 -1.96 -3.36 115.15 115.02 2crr h HIS 65 Ca 0.30 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.60 2crr h HIS 65 Cb 1.52 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.92 2crr h HIS 65 CO 0.00 0.66 -0.68 0.82 -0.00 0.00 0.00 177.93 178.73 2crr h ILE 66 N 0.00 0.32 -2.77 6.12 2.04 0.20 -3.49 117.51 119.93 2crr h ILE 66 Ca -0.01 -1.39 -0.14 0.00 1.00 0.00 0.00 64.86 64.32 2crr h ILE 66 Cb 1.28 0.75 -0.27 0.00 -0.74 0.00 0.00 36.82 37.84 2crr h ILE 66 CO 0.09 0.11 -0.36 -0.44 0.00 0.00 0.00 178.15 177.55 2crr s SER 67 N -6.07 -0.43 -0.90 1.72 0.01 0.23 -4.79 113.70 103.48 2crr s SER 67 Ca -0.18 0.77 -0.01 0.00 1.31 0.00 0.00 55.95 57.84 2crr s SER 67 Cb 0.03 0.65 0.24 0.00 0.21 0.00 0.00 66.02 67.16 2crr s SER 67 CO 0.33 -0.18 0.91 0.54 0.41 0.00 0.00 173.24 175.25 2crr n ARG 68 N 4.22 2.97 -1.50 12.44 1.74 -1.26 -4.14 116.66 131.13 2crr n ARG 68 Ca -0.24 -4.52 -0.57 0.00 -0.77 0.00 0.00 57.85 51.75 2crr n ARG 68 Cb 0.55 -2.41 -0.07 0.00 -1.02 0.00 0.00 32.46 29.50 2crr n ARG 68 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2crr n VAL 69 N 1.91 0.20 -4.22 1.55 0.31 -1.26 -4.62 118.33 112.19 2crr n VAL 69 Ca 0.24 -0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.39 2crr n VAL 69 Cb 0.37 -0.08 -0.10 0.00 -0.91 0.00 0.00 33.84 33.12 2crr n VAL 69 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2crr s LYS 70 N -0.06 1.22 -0.14 5.55 2.20 -1.25 -5.04 119.74 122.22 2crr s LYS 70 Ca 0.88 -1.64 -0.06 0.00 -0.36 0.00 0.00 55.97 54.78 2crr s LYS 70 Cb -1.21 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 35.20 2crr s LYS 70 CO 0.56 -0.35 0.09 -1.54 -0.36 0.00 0.00 175.35 173.75 2crr s SER 71 N -3.19 5.90 -0.02 1.43 1.04 -1.26 -3.25 113.70 114.36 2crr s SER 71 Ca 0.37 0.26 -0.24 0.00 0.48 0.00 0.00 55.95 56.81 2crr s SER 71 Cb 0.07 -1.92 -0.18 0.00 0.10 0.00 0.00 66.02 64.09 2crr s SER 71 CO 0.11 0.30 1.15 0.58 0.98 0.00 0.00 173.24 176.37 2crr h VAL 72 N 4.37 1.06 0.00 5.02 2.07 -1.81 -3.20 116.25 123.76 2crr h VAL 72 Ca -0.47 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.06 2crr h VAL 72 Cb 1.19 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2crr h VAL 72 CO 0.63 0.23 -0.06 -1.13 0.02 0.00 0.00 177.57 177.26 2crr h ASN 73 N -0.66 0.00 -0.62 0.57 -1.24 -1.95 -3.40 115.58 108.29 2crr h ASN 73 Ca -0.02 0.00 0.15 0.00 0.71 0.00 0.00 56.30 57.14 2crr h ASN 73 Cb 0.50 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 39.43 2crr h ASN 73 CO 0.03 0.09 -0.07 0.18 -1.29 0.00 0.00 177.43 176.37 2crr n LEU 74 N -2.54 -0.14 -4.96 0.34 4.77 -1.26 -4.28 117.00 108.93 2crr n LEU 74 Ca -0.01 1.06 -0.20 0.00 -0.03 0.00 0.00 56.01 56.83 2crr n LEU 74 Cb 0.03 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 2crr n LEU 74 CO 0.01 -1.04 -0.00 -1.81 -1.33 0.00 0.00 177.39 173.22 2crr s ASP 75 N -5.08 5.99 0.29 -1.43 1.01 -1.21 -5.05 116.67 111.19 2crr s ASP 75 Ca -0.09 -0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.07 2crr s ASP 75 Cb 0.17 -1.42 -0.03 0.00 1.01 0.00 0.00 42.92 42.65 2crr s ASP 75 CO 0.48 -0.28 0.45 -1.10 0.21 0.00 0.00 175.17 174.93 2crr s GLN 76 N -4.07 3.40 0.02 8.23 -1.52 -1.26 -4.60 119.66 119.85 2crr s GLN 76 Ca 0.40 -0.65 0.05 0.00 -1.95 0.00 0.00 55.36 53.21 2crr s GLN 76 Cb -0.09 -2.80 -0.02 0.00 -0.22 0.00 0.00 33.01 29.89 2crr s GLN 76 CO 0.30 0.27 -0.15 -1.58 -0.25 0.00 0.00 175.29 173.87 2crr s TRP 77 N -2.13 1.30 0.18 0.91 0.52 -1.26 -5.04 118.94 113.41 2crr s TRP 77 Ca 0.38 -0.31 0.06 0.00 0.02 0.00 0.00 56.10 56.25 2crr s TRP 77 Cb -0.09 -0.80 -0.04 0.00 -1.15 0.00 0.00 33.47 31.39 2crr s TRP 77 CO 0.32 0.02 0.12 0.95 0.02 0.00 0.00 176.95 178.38 2crr s THR 78 N -0.63 4.35 0.31 2.01 -4.23 -1.26 -4.90 115.64 111.29 2crr s THR 78 Ca 0.04 -1.18 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 2crr s THR 78 Cb -0.07 -3.23 0.40 0.00 1.34 0.00 0.00 72.50 70.94 2crr s THR 78 CO 0.01 -0.14 1.58 0.00 -0.54 0.00 0.00 174.62 175.52 2crr h ALA 79 N 2.34 1.22 -0.07 3.99 0.00 -1.96 0.27 119.26 125.04 2crr h ALA 79 Ca -0.48 0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2crr h ALA 79 Cb 1.21 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 2crr h ALA 79 CO 0.62 -0.58 -0.32 1.49 0.00 0.00 0.00 179.25 180.46 2crr h GLU 80 N 0.02 -0.34 -0.25 0.00 4.81 -2.00 0.20 114.58 117.02 2crr h GLU 80 Ca 0.61 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.85 2crr h GLU 80 Cb 1.27 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 2crr h GLU 80 CO -0.90 -0.23 0.13 1.96 -0.73 0.00 0.00 179.01 179.24 2crr h GLN 81 N -0.35 0.35 -0.40 1.92 4.20 -1.50 -2.96 115.11 116.37 2crr h GLN 81 Ca 0.02 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.75 2crr h GLN 81 Cb 0.40 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.03 2crr h GLN 81 CO -0.25 0.33 -0.40 0.82 -0.67 0.00 0.00 178.83 178.65 2crr h ILE 82 N 0.28 0.14 -0.76 2.54 1.08 -0.20 -0.12 117.51 120.47 2crr h ILE 82 Ca 0.09 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.71 2crr h ILE 82 Cb 0.09 0.14 -0.10 0.00 -3.07 0.00 0.00 36.82 33.87 2crr h ILE 82 CO -0.01 0.00 0.28 -0.61 -0.69 0.00 0.00 178.15 177.11 2crr h GLN 83 N -0.31 0.38 -0.67 2.37 5.75 -0.53 -0.34 115.11 121.76 2crr h GLN 83 Ca 0.15 -0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.74 2crr h GLN 83 Cb 0.58 -0.09 -0.08 0.00 1.07 0.00 0.00 27.48 28.96 2crr h GLN 83 CO -0.57 0.25 0.24 0.00 -2.65 0.00 0.00 178.83 176.10 2crr h MET 85 N 0.40 -0.61 -0.44 0.00 2.86 -0.55 0.25 114.93 116.84 2crr h MET 85 Ca 0.35 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 58.06 2crr h MET 85 Cb 0.49 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 2crr h MET 85 CO -0.36 -0.41 0.25 1.96 1.06 0.00 0.00 176.91 179.40 2crr h GLN 86 N -0.64 0.48 0.37 1.72 7.50 -1.36 0.81 115.11 123.99 2crr h GLN 86 Ca 0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 2crr h GLN 86 Cb 0.70 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.10 2crr h GLN 86 CO -0.34 0.32 -0.37 -0.44 -1.50 0.00 0.00 178.83 176.50 2crr h ASP 87 N 0.50 -1.03 0.00 1.46 3.32 -0.48 -3.37 116.42 116.83 2crr h ASP 87 Ca 0.18 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2crr h ASP 87 Cb 0.04 0.34 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2crr h ASP 87 CO -0.10 -0.49 0.00 0.80 -1.72 0.00 0.00 179.24 177.73 2crr n MET 88 N -4.66 0.00 -1.38 3.56 1.56 0.83 -4.92 117.12 112.11 2crr n MET 88 Ca -0.09 0.37 0.17 0.00 -0.27 0.00 0.00 57.70 57.89 2crr n MET 88 Cb 0.34 -0.97 -0.06 0.00 2.15 0.00 0.00 33.22 34.68 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 1.53 -2.37 0.16 -5.12 0.00 0.28 -3.52 105.19 96.16 2crr n GLY 89 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.37 0.46 -0.18 1.61 4.21 -1.85 -2.49 115.58 115.97 2crr h ASN 90 Ca -0.07 -0.24 0.02 0.00 1.21 0.00 0.00 56.30 57.21 2crr h ASN 90 Cb 1.35 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 38.41 2crr h ASN 90 CO 0.04 0.58 -0.11 0.41 -1.29 0.00 0.00 177.43 177.07 2crr n THR 91 N -4.66 -0.12 0.11 2.81 -1.04 -1.26 -0.89 114.28 109.23 2crr n THR 91 Ca -0.02 1.25 -0.13 0.00 -2.04 0.00 0.00 64.05 63.11 2crr n THR 91 Cb 0.19 -1.63 -0.08 0.00 -1.82 0.00 0.00 70.33 66.99 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 -0.23 -1.03 -2.82 1.57 -1.62 -2.89 116.57 109.55 2crr h LYS 92 Ca 0.03 0.02 0.37 0.00 -1.87 0.00 0.00 60.65 59.20 2crr h LYS 92 Cb 0.07 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.32 2crr h LYS 92 CO -0.17 0.00 0.64 0.00 -0.57 0.00 0.00 179.45 179.35 2crr n ALA 93 N -2.31 1.02 -0.02 3.86 0.00 -0.35 0.22 120.51 122.94 2crr n ALA 93 Ca -0.09 0.73 -0.16 0.00 0.00 0.00 0.00 53.44 53.91 2crr n ALA 93 Cb 0.19 -0.84 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 2crr n ALA 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2crr h ARG 94 N 0.00 0.43 0.00 0.00 2.43 -0.80 0.40 114.38 116.84 2crr h ARG 94 Ca 0.70 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2crr h ARG 94 Cb 2.15 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.80 2crr h ARG 94 CO -0.43 1.04 0.00 1.28 -1.51 0.00 0.00 179.97 180.35 2crr n LEU 95 N -4.27 0.00 -0.01 3.80 4.77 0.59 -0.72 117.00 121.16 2crr n LEU 95 Ca -0.09 0.38 -0.03 0.00 -0.03 0.00 0.00 56.01 56.24 2crr n LEU 95 Cb 0.60 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2crr n LEU 95 CO 0.45 -0.20 -0.23 -0.11 -1.33 0.00 0.00 177.39 175.98 2crr n LEU 96 N -1.38 1.03 -0.03 2.23 -0.00 0.10 -4.47 117.00 114.50 2crr n LEU 96 Ca 0.05 0.16 -0.15 0.00 -0.00 0.00 0.00 56.01 56.07 2crr n LEU 96 Cb 0.14 -0.44 -0.10 0.00 -0.00 0.00 0.00 43.42 43.02 2crr n LEU 96 CO 0.12 -0.51 0.42 1.88 -0.00 0.00 0.00 177.39 179.30 2crr h TYR 97 N -0.33 0.41 -0.47 1.96 0.05 -0.30 -2.91 116.97 115.37 2crr h TYR 97 Ca 0.00 -0.19 -0.29 0.00 0.05 0.00 0.00 58.73 58.30 2crr h TYR 97 Cb 0.33 -0.06 -0.14 0.00 1.01 0.00 0.00 36.73 37.87 2crr h TYR 97 CO -0.14 0.93 0.38 0.39 -1.05 0.00 0.00 178.16 178.67 2crr n GLU 98 N -4.44 1.72 -0.12 4.88 1.02 0.10 -4.08 120.64 119.72 2crr n GLU 98 Ca -0.09 -1.50 -0.20 0.00 -0.02 0.00 0.00 57.16 55.35 2crr n GLU 98 Cb 0.50 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 30.22 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 0.16 1.35 1.42 0.62 0.00 -1.01 -4.28 120.51 118.76 2crr n ALA 99 Ca 0.29 -1.06 0.01 0.00 0.00 0.00 0.00 53.44 52.68 2crr n ALA 99 Cb 0.73 -0.12 0.03 0.00 0.00 0.00 0.00 19.45 20.10 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 -3.45 0.74 -4.79 0.00 3.02 -1.26 -4.85 115.26 104.67 2crr n ASN 100 Ca -0.46 -2.03 -0.37 0.00 -0.03 0.00 0.00 54.58 51.69 2crr n ASN 100 Cb 0.97 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 39.85 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 -0.68 4.40 0.50 3.41 1.43 -1.26 -4.90 118.68 121.58 2crr s LEU 101 Ca 0.04 1.63 -0.21 0.00 -1.03 0.00 0.00 54.13 54.56 2crr s LEU 101 Cb 0.02 -3.69 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 2crr s LEU 101 CO 0.02 0.04 1.15 -2.16 0.23 0.00 0.00 176.35 175.63 2crr s PRO 102 N -1.81 3.58 0.28 1.29 0.04 -1.26 -4.93 135.00 132.20 2crr s PRO 102 Ca 0.44 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.21 2crr s PRO 102 Cb -0.19 -2.23 0.68 0.00 0.04 0.00 0.00 34.50 32.80 2crr s PRO 102 CO 0.23 -0.68 1.72 1.49 0.04 0.00 0.00 177.00 179.80 2crr h GLU 103 N 1.68 0.47 -1.31 4.56 4.57 -1.98 0.60 114.58 123.17 2crr h GLU 103 Ca -0.50 -0.03 -0.70 0.00 -1.18 0.00 0.00 59.36 56.96 2crr h GLU 103 Cb 1.25 -0.11 -0.30 0.00 -0.16 0.00 0.00 28.75 29.44 2crr h GLU 103 CO 0.59 0.31 0.79 0.27 -1.18 0.00 0.00 179.01 179.79 2crr n ASN 104 N -4.98 7.41 -4.69 1.04 0.23 -1.26 -5.02 115.26 108.00 2crr n ASN 104 Ca 0.21 -3.80 -0.31 0.00 -0.53 0.00 0.00 54.58 50.15 2crr n ASN 104 Cb 0.60 -0.96 0.15 0.00 -2.08 0.00 0.00 39.78 37.49 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 -3.89 1.92 -0.09 -2.53 2.19 0.20 -5.05 117.98 110.73 2crr s PHE 105 Ca 0.60 1.64 -0.04 0.00 0.33 0.00 0.00 56.93 59.46 2crr s PHE 105 Cb 0.48 -3.23 0.04 0.00 -1.31 0.00 0.00 43.02 39.01 2crr s PHE 105 CO -0.14 -2.58 0.19 -0.98 1.83 0.00 0.00 175.22 173.54 2crr s ARG 106 N -4.73 0.13 0.06 10.12 1.04 -1.26 -5.05 118.95 119.26 2crr s ARG 106 Ca 0.65 0.48 -0.22 0.00 -1.04 0.00 0.00 55.73 55.60 2crr s ARG 106 Cb -0.21 -0.16 -0.06 0.00 -2.04 0.00 0.00 34.95 32.48 2crr s ARG 106 CO 0.58 -0.19 0.65 -0.98 -0.04 0.00 0.00 175.30 175.32 2crr s ARG 107 N 1.40 4.35 0.20 3.89 1.70 -1.26 -5.04 118.95 124.19 2crr s ARG 107 Ca -0.07 0.86 -0.30 0.00 -0.47 0.00 0.00 55.73 55.75 2crr s ARG 107 Cb -0.11 -3.30 -0.09 0.00 -0.57 0.00 0.00 34.95 30.88 2crr s ARG 107 CO -0.07 0.48 1.30 -1.25 -1.08 0.00 0.00 175.30 174.68 2crr s PRO 108 N -0.64 4.39 -0.14 3.89 0.04 -1.26 -4.96 135.00 136.32 2crr s PRO 108 Ca 0.32 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.27 2crr s PRO 108 Cb -0.20 -3.20 -0.25 0.00 0.04 0.00 0.00 34.50 30.90 2crr s PRO 108 CO 0.20 -0.24 0.38 1.96 0.04 0.00 0.00 177.00 179.34 2crr h GLN 109 N 5.36 0.19 -6.69 4.56 1.08 -1.98 -3.41 115.11 114.22 2crr h GLN 109 Ca -0.45 -0.33 -0.52 0.00 -1.45 0.00 0.00 58.65 55.91 2crr h GLN 109 Cb 1.21 0.12 0.01 0.00 -0.05 0.00 0.00 27.48 28.78 2crr h GLN 109 CO 0.77 1.16 0.50 0.95 -0.95 0.00 0.00 178.83 181.26 2crr s THR 110 N -2.48 3.70 0.14 -0.54 -4.23 -1.26 -4.89 115.64 106.07 2crr s THR 110 Ca -0.23 1.49 -0.27 0.00 -1.18 0.00 0.00 61.69 61.50 2crr s THR 110 Cb 0.06 -3.95 -0.03 0.00 1.34 0.00 0.00 72.50 69.92 2crr s THR 110 CO 0.72 0.27 1.59 -2.24 -0.54 0.00 0.00 174.62 174.43 2crr h ASP 111 N 4.91 -1.17 -0.64 3.99 2.03 -1.98 -0.94 116.42 122.62 2crr h ASP 111 Ca -0.45 0.17 0.21 0.00 -0.73 0.00 0.00 57.03 56.22 2crr h ASP 111 Cb 1.21 0.49 -0.12 0.00 -0.83 0.00 0.00 39.33 40.09 2crr h ASP 111 CO 0.72 -0.39 0.12 0.00 -1.03 0.00 0.00 179.24 178.66 2crr n GLN 112 N -5.42 -0.05 -0.06 4.15 10.64 -1.26 -0.37 117.38 125.01 2crr n GLN 112 Ca -0.03 0.93 -0.04 0.00 -1.83 0.00 0.00 57.00 56.03 2crr n GLN 112 Cb 0.35 -1.54 -0.03 0.00 -0.86 0.00 0.00 30.24 28.16 2crr n GLN 112 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2crr h ALA 113 N 1.27 0.01 -0.89 2.61 0.00 -1.65 -3.34 119.26 117.27 2crr h ALA 113 Ca 0.44 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.29 2crr h ALA 113 Cb 1.01 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 2crr h ALA 113 CO -0.56 0.05 -0.45 0.28 0.00 0.00 0.00 179.25 178.56 2crr n VAL 114 N -4.73 -0.55 -0.27 0.00 0.31 0.50 0.11 118.33 113.70 2crr n VAL 114 Ca -0.03 2.12 -0.02 0.00 -0.01 0.00 0.00 64.34 66.40 2crr n VAL 114 Cb 0.13 -2.70 0.04 0.00 -0.91 0.00 0.00 33.84 30.41 2crr n VAL 114 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2crr h GLU 115 N 0.00 -0.07 0.69 5.55 4.81 -1.18 -0.20 114.58 124.18 2crr h GLU 115 Ca 0.21 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2crr h GLU 115 Cb 0.43 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.84 2crr h GLU 115 CO -0.85 -0.05 -0.33 0.74 -0.73 0.00 0.00 179.01 177.79 2crr h PHE 116 N -0.07 -0.86 -0.80 0.92 0.04 -0.45 -1.10 116.94 114.63 2crr h PHE 116 Ca 0.31 -0.02 0.12 0.00 2.80 0.00 0.00 57.97 61.18 2crr h PHE 116 Cb 0.58 0.28 -0.13 0.00 2.20 0.00 0.00 35.95 38.88 2crr h PHE 116 CO -0.70 -0.53 -0.41 0.35 -0.60 0.00 0.00 178.31 176.42 2crr h PHE 117 N -0.95 -1.18 -0.52 -0.55 3.57 0.01 0.65 116.94 117.97 2crr h PHE 117 Ca -0.09 0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2crr h PHE 117 Cb 0.72 0.63 -0.03 0.00 2.79 0.00 0.00 35.95 40.06 2crr h PHE 117 CO -0.02 -0.40 0.28 0.82 -2.23 0.00 0.00 178.31 176.75 2crr h ILE 118 N -0.10 1.16 0.53 1.41 2.04 -1.01 0.25 117.51 121.81 2crr h ILE 118 Ca 0.26 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2crr h ILE 118 Cb 0.56 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2crr h ILE 118 CO -0.84 0.18 -0.26 0.03 0.00 0.00 0.00 178.15 177.27 2crr h ARG 119 N 0.72 -0.69 0.00 2.37 3.08 0.15 0.24 114.38 120.24 2crr h ARG 119 Ca 0.18 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2crr h ARG 119 Cb 0.03 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2crr h ARG 119 CO -0.03 -0.38 0.00 -0.25 -1.07 0.00 0.00 179.97 178.24 2crr n ASP 120 N -5.31 0.55 -0.02 7.04 9.92 0.88 0.13 116.55 129.74 2crr n ASP 120 Ca -0.11 0.63 -0.21 0.00 -0.53 0.00 0.00 54.79 54.57 2crr n ASP 120 Cb 0.33 -0.75 -0.13 0.00 -0.64 0.00 0.00 41.12 39.92 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 0.18 0.00 -1.24 3.64 -0.28 0.17 116.57 119.03 2crr h LYS 121 Ca 0.00 -0.30 -0.36 0.00 -1.27 0.00 0.00 60.65 58.72 2crr h LYS 121 Cb 0.36 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2crr h LYS 121 CO 0.00 1.14 -2.14 0.66 -2.27 0.00 0.00 179.45 176.84 2crr n TYR 122 N -4.06 0.10 0.00 1.91 4.02 0.81 -3.51 117.16 116.43 2crr n TYR 122 Ca -0.25 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 2crr n TYR 122 Cb 0.83 -0.92 0.00 0.00 -0.02 0.00 0.00 39.34 39.23 2crr n TYR 122 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2crr n GLU 123 N -4.31 0.00 0.27 -0.72 2.13 0.34 -3.14 120.64 115.21 2crr n GLU 123 Ca -0.45 0.44 0.14 0.00 0.66 0.00 0.00 57.16 57.95 2crr n GLU 123 Cb 0.80 -1.43 0.76 0.00 0.27 0.00 0.00 31.44 31.84 2crr n GLU 123 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2crr h LYS 124 N 0.00 0.00 -3.19 5.31 1.79 -1.30 -3.46 116.57 115.71 2crr h LYS 124 Ca 0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 2crr h LYS 124 Cb 0.00 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2crr h LYS 124 CO 0.00 0.10 -0.50 1.63 -1.08 0.00 0.00 179.45 179.60 2crr n LYS 125 N -3.56 -2.63 0.09 3.15 4.76 -1.03 -4.92 118.16 114.02 2crr n LYS 125 Ca -0.02 0.87 -0.10 0.00 -2.87 0.00 0.00 58.31 56.20 2crr n LYS 125 Cb 0.23 -5.45 -0.06 0.00 -1.84 0.00 0.00 35.03 27.91 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 -0.49 -0.44 -1.59 1.97 1.57 -0.82 -1.64 116.57 115.12 2crr h LYS 126 Ca -0.46 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.27 2crr h LYS 126 Cb 1.33 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.70 2crr h LYS 126 CO 0.52 -0.30 0.11 0.66 -0.57 0.00 0.00 179.45 179.87 2crr n TYR 127 N -4.15 0.45 -3.55 -1.35 4.02 -1.26 -4.83 117.16 106.48 2crr n TYR 127 Ca -0.05 -1.10 -0.39 0.00 -0.01 0.00 0.00 57.90 56.35 2crr n TYR 127 Cb 0.24 -0.55 -0.11 0.00 -0.02 0.00 0.00 39.34 38.91 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 -0.51 3.22 -0.54 -0.72 5.04 -0.62 -4.06 117.35 119.17 2crr s TYR 128 Ca 0.09 0.07 -0.21 0.00 -2.44 0.00 0.00 57.07 54.58 2crr s TYR 128 Cb 0.07 -2.43 0.06 0.00 0.35 0.00 0.00 41.96 40.01 2crr s TYR 128 CO 0.00 -0.22 0.74 0.34 -1.34 0.00 0.00 175.55 175.07 2crr s ASP 129 N 1.74 6.24 0.05 4.32 -1.08 -1.10 -4.91 116.67 121.94 2crr s ASP 129 Ca 0.08 -0.83 -0.16 0.00 -0.52 0.00 0.00 52.55 51.12 2crr s ASP 129 Cb -0.16 -2.34 -0.22 0.00 -1.46 0.00 0.00 42.92 38.74 2crr s ASP 129 CO 0.11 -1.04 1.17 0.07 0.52 0.00 0.00 175.17 176.00 2crr h LYS 130 N 9.13 0.60 -0.89 4.34 2.10 -1.96 -3.29 116.57 126.60 2crr h LYS 130 Ca -0.27 -0.62 0.27 0.00 -2.00 0.00 0.00 60.65 58.02 2crr h LYS 130 Cb 1.09 0.17 -0.17 0.00 -0.90 0.00 0.00 32.23 32.42 2crr h LYS 130 CO 1.02 1.23 0.10 -1.71 -2.00 0.00 0.00 179.45 178.10 2crr n ASN 131 N -4.01 -0.03 -0.29 7.07 2.85 -1.26 0.49 115.26 120.08 2crr n ASN 131 Ca -0.10 1.51 0.17 0.00 -0.11 0.00 0.00 54.58 56.05 2crr n ASN 131 Cb 0.78 -0.58 0.33 0.00 1.24 0.00 0.00 39.78 41.55 2crr n ASN 131 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2crr n ALA 132 N -3.06 0.57 -3.84 5.20 0.00 -1.24 -4.73 120.51 113.42 2crr n ALA 132 Ca 0.23 0.91 -0.26 0.00 0.00 0.00 0.00 53.44 54.32 2crr n ALA 132 Cb 0.77 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 2crr n ALA 132 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2crr n ILE 133 N -5.15 -1.18 -1.35 0.00 2.08 0.18 -4.78 119.36 109.16 2crr n ILE 133 Ca 0.24 -0.36 0.05 0.00 0.56 0.00 0.00 62.75 63.24 2crr n ILE 133 Cb 0.79 -1.05 0.07 0.00 -0.75 0.00 0.00 39.64 38.71 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 -3.53 2.09 -0.52 -1.39 0.00 -1.26 -5.09 120.51 110.82 2crr n ALA 134 Ca -0.15 -1.83 -0.29 0.00 0.00 0.00 0.00 53.44 51.16 2crr n ALA 134 Cb 0.42 -0.39 0.24 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.79 0.00 -0.04 0.00 -6.64 -1.26 -5.01 119.36 105.62 2crr n ILE 135 Ca 0.08 -0.41 -0.08 0.00 -1.77 0.00 0.00 62.75 60.57 2crr n ILE 135 Cb 0.63 -0.86 -0.03 0.00 -1.44 0.00 0.00 39.64 37.94 2crr n ILE 135 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2crr n SER 136 N -3.94 1.26 -3.90 7.28 2.88 -1.26 -5.01 113.62 110.93 2crr n SER 136 Ca 0.02 0.20 -0.27 0.00 -1.33 0.00 0.00 58.87 57.49 2crr n SER 136 Cb 0.57 -0.47 -0.17 0.00 -0.75 0.00 0.00 64.21 63.39 2crr n SER 136 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2crr s GLY 137 N -4.77 0.88 1.21 0.46 0.00 -1.26 -5.14 107.32 98.71 2crr s GLY 137 Ca -0.16 -0.65 -0.20 0.00 0.00 0.00 0.00 44.72 43.71 2crr s GLY 137 CO 0.21 0.84 1.08 -1.55 0.00 0.00 0.00 173.10 173.68 2crr n PRO 138 N 4.92 -3.13 -3.71 2.90 -0.04 -1.26 -5.10 135.00 129.58 2crr n PRO 138 Ca -0.12 -1.72 -0.10 0.00 -0.04 0.00 0.00 63.50 61.52 2crr n PRO 138 Cb 0.49 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 2crr n PRO 138 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2crr s SER 139 N -4.40 -0.18 0.34 3.54 1.04 -1.26 -5.16 113.70 107.63 2crr s SER 139 Ca 0.70 -0.44 -0.26 0.00 0.48 0.00 0.00 55.95 56.43 2crr s SER 139 Cb -0.07 0.48 -0.09 0.00 0.10 0.00 0.00 66.02 66.44 2crr s SER 139 CO 0.54 -0.89 1.02 -0.44 0.98 0.00 0.00 173.24 174.45 2crr s SER 140 N -2.84 7.09 0.00 7.02 0.01 -1.26 -5.24 113.70 118.48 2crr s SER 140 Ca 0.06 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.33 2crr s SER 140 Cb 0.02 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2crr s SER 140 CO -0.09 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.92