#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crp s SER 2 N 0.00 0.39 0.03 1.61 0.01 -1.26 -5.17 113.70 109.31 2crp s SER 2 Ca 0.00 -0.90 -0.23 0.00 1.31 0.00 0.00 55.95 56.13 2crp s SER 2 Cb 0.00 0.24 0.05 0.00 0.21 0.00 0.00 66.02 66.52 2crp s SER 2 CO 0.00 -0.63 0.52 -0.55 0.41 0.00 0.00 173.24 172.99 2crp s SER 3 N -2.90 -0.45 0.00 2.44 0.15 -1.26 -5.13 113.70 106.55 2crp s SER 3 Ca 0.06 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2crp s SER 3 Cb 0.07 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2crp s SER 3 CO -0.10 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2crp n GLY 4 N 0.50 -1.85 3.68 9.45 0.00 -1.26 -4.91 105.19 110.80 2crp n GLY 4 Ca -0.19 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2crp n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crp s SER 5 N -0.80 6.55 -0.07 1.61 1.04 -1.26 -4.94 113.70 115.83 2crp s SER 5 Ca 0.00 2.53 -0.30 0.00 0.48 0.00 0.00 55.95 58.66 2crp s SER 5 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 2crp s SER 5 CO 0.00 -0.96 1.23 -0.55 0.98 0.00 0.00 173.24 173.95 2crp s SER 6 N 3.15 7.01 0.00 7.02 0.15 -1.26 -4.64 113.70 125.13 2crp s SER 6 Ca 0.79 1.83 0.00 0.00 0.70 0.00 0.00 55.95 59.26 2crp s SER 6 Cb -0.40 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 2crp s SER 6 CO 0.35 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2crp n GLY 7 N 3.43 1.05 3.77 9.45 0.00 -1.26 -5.12 105.19 116.51 2crp n GLY 7 Ca 0.12 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 2crp n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crp s PRO 8 N -0.06 3.17 -0.30 1.61 0.04 -1.26 -5.06 135.00 133.14 2crp s PRO 8 Ca 0.00 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.51 2crp s PRO 8 Cb 0.00 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.70 2crp s PRO 8 CO 0.00 -0.98 0.62 -2.00 0.04 0.00 0.00 177.00 174.68 2crp s GLU 9 N -3.56 0.57 -0.03 4.56 2.12 -1.26 -5.16 118.70 115.94 2crp s GLU 9 Ca 0.71 1.28 0.07 0.00 0.36 0.00 0.00 54.97 57.38 2crp s GLU 9 Cb -0.23 0.73 -0.02 0.00 0.26 0.00 0.00 34.13 34.87 2crp s GLU 9 CO 0.32 -0.36 -0.24 0.15 -0.54 0.00 0.00 175.26 174.59 2crp s LYS 10 N 2.87 2.25 0.00 4.30 -0.14 -1.26 -5.14 119.74 122.62 2crp s LYS 10 Ca 0.04 -0.89 0.00 0.00 -1.36 0.00 0.00 55.97 53.76 2crp s LYS 10 Cb -0.13 -2.11 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 2crp s LYS 10 CO -0.19 0.54 0.00 -0.35 -0.76 0.00 0.00 175.35 174.58 2crp n PRO 11 N 2.52 -0.76 -0.04 -1.68 -0.04 -1.26 -5.03 135.00 128.70 2crp n PRO 11 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 2crp n PRO 11 Cb 0.51 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2crp n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2crp h ALA 12 N -2.00 0.00 -2.44 0.55 0.00 -2.09 -3.47 119.26 109.80 2crp h ALA 12 Ca 0.00 -0.14 -0.52 0.00 0.00 0.00 0.00 54.91 54.24 2crp h ALA 12 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2crp h ALA 12 CO 0.00 0.13 -0.48 0.21 0.00 0.00 0.00 179.25 179.11 2crp s LYS 13 N -1.60 3.28 0.40 0.00 2.47 -1.26 -5.13 119.74 117.90 2crp s LYS 13 Ca -0.04 -0.75 0.05 0.00 -1.56 0.00 0.00 55.97 53.67 2crp s LYS 13 Cb 0.01 -2.84 0.05 0.00 -1.46 0.00 0.00 37.83 33.58 2crp s LYS 13 CO 0.05 0.48 0.38 0.25 0.16 0.00 0.00 175.35 176.67 2crp n THR 14 N -0.82 0.00 -2.47 3.43 -2.24 -1.26 -5.10 114.28 105.82 2crp n THR 14 Ca -0.08 -1.52 -0.36 0.00 -2.27 0.00 0.00 64.05 59.82 2crp n THR 14 Cb 0.55 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 2crp n THR 14 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2crp s GLN 15 N -3.70 3.96 0.21 -0.78 2.00 -1.26 -5.02 119.66 115.06 2crp s GLN 15 Ca 0.29 1.54 -0.25 0.00 -2.00 0.00 0.00 55.36 54.94 2crp s GLN 15 Cb -0.02 -2.39 -0.08 0.00 0.80 0.00 0.00 33.01 31.31 2crp s GLN 15 CO 0.18 -0.33 0.82 0.15 -0.50 0.00 0.00 175.29 175.61 2crp s LYS 16 N -2.73 4.58 0.23 1.67 -0.14 -1.26 -4.99 119.74 117.10 2crp s LYS 16 Ca 0.62 1.20 -0.28 0.00 -1.36 0.00 0.00 55.97 56.15 2crp s LYS 16 Cb -0.22 -3.16 -0.16 0.00 -1.68 0.00 0.00 37.83 32.61 2crp s LYS 16 CO 0.27 0.50 0.71 2.41 -0.76 0.00 0.00 175.35 178.49 2crp n THR 17 N 1.33 1.97 -3.97 2.17 -1.04 -1.26 -4.96 114.28 108.52 2crp n THR 17 Ca -0.04 -0.49 -0.25 0.00 -2.04 0.00 0.00 64.05 61.23 2crp n THR 17 Cb 0.49 -0.38 -0.03 0.00 -1.82 0.00 0.00 70.33 68.58 2crp n THR 17 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2crp s SER 18 N -0.82 6.18 0.09 8.00 0.01 -1.26 -4.93 113.70 120.97 2crp s SER 18 Ca 0.62 0.10 -0.24 0.00 1.31 0.00 0.00 55.95 57.74 2crp s SER 18 Cb -0.85 -1.81 -0.08 0.00 0.21 0.00 0.00 66.02 63.48 2crp s SER 18 CO 0.57 0.04 1.39 0.25 0.41 0.00 0.00 173.24 175.90 2crp h LEU 19 N 2.06 -1.28 -1.18 2.44 7.12 -1.87 0.67 115.31 123.26 2crp h LEU 19 Ca -0.49 0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.68 2crp h LEU 19 Cb 1.20 0.51 0.00 0.00 -0.53 0.00 0.00 40.66 41.84 2crp h LEU 19 CO 0.67 -0.31 0.36 -0.78 -0.13 0.00 0.00 178.44 178.25 2crp h ASP 20 N -0.34 0.00 0.00 1.25 1.82 -1.96 -1.61 116.42 115.57 2crp h ASP 20 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 2crp h ASP 20 Cb 0.45 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.46 2crp h ASP 20 CO -0.37 0.00 -0.34 -0.08 -1.61 0.00 0.00 179.24 176.83 2crp h GLU 21 N 0.00 0.00 -1.68 0.28 4.81 -0.16 -3.28 114.58 114.55 2crp h GLU 21 Ca 0.00 0.00 0.51 0.00 -0.13 0.00 0.00 59.36 59.74 2crp h GLU 21 Cb 0.73 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.01 2crp h GLU 21 CO 0.00 0.16 1.17 0.00 -0.73 0.00 0.00 179.01 179.61 2crp h ALA 22 N -0.88 3.40 -0.08 2.92 0.00 0.08 1.72 119.26 126.42 2crp h ALA 22 Ca -0.03 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 2crp h ALA 22 Cb 0.42 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2crp h ALA 22 CO -0.02 -1.99 -0.83 -0.07 0.00 0.00 0.00 179.25 176.35 2crp h LEU 23 N 0.02 0.71 -2.17 0.00 3.38 -1.66 -3.06 115.31 112.53 2crp h LEU 23 Ca 0.88 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2crp h LEU 23 Cb 3.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 43.80 2crp h LEU 23 CO -0.18 1.28 0.24 1.56 0.09 0.00 0.00 178.44 181.42 2crp h GLN 24 N 0.38 0.00 0.00 1.13 4.20 0.25 0.39 115.11 121.46 2crp h GLN 24 Ca -0.06 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 2crp h GLN 24 Cb 1.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 2crp h GLN 24 CO 0.15 0.00 -0.25 -1.49 -0.67 0.00 0.00 178.83 176.57 2crp h TRP 25 N 0.00 0.00 -0.25 2.96 6.55 -1.44 -3.18 115.95 120.59 2crp h TRP 25 Ca 0.00 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.69 2crp h TRP 25 Cb 0.48 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.78 2crp h TRP 25 CO 0.00 0.25 -0.43 0.00 -1.05 0.00 0.00 178.44 177.21 2crp h ARG 26 N 0.00 0.73 0.33 0.49 3.08 -0.38 -3.30 114.38 115.33 2crp h ARG 26 Ca -0.00 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2crp h ARG 26 Cb 0.91 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 2crp h ARG 26 CO 0.03 1.08 -0.42 0.22 -1.07 0.00 0.00 179.97 179.81 2crp h ASP 27 N 0.46 -1.17 -3.83 7.04 1.82 -1.61 -3.43 116.42 115.71 2crp h ASP 27 Ca 0.02 0.11 -0.35 0.00 -0.39 0.00 0.00 57.03 56.41 2crp h ASP 27 Cb 1.03 0.41 -0.30 0.00 0.68 0.00 0.00 39.33 41.15 2crp h ASP 27 CO 0.10 -0.55 -0.76 -0.44 -1.61 0.00 0.00 179.24 175.98 2crp s SER 28 N -4.56 0.73 0.19 2.28 0.01 -1.24 -5.04 113.70 106.06 2crp s SER 28 Ca -0.17 -0.11 -0.12 0.00 1.31 0.00 0.00 55.95 56.86 2crp s SER 28 Cb 0.06 -0.15 0.16 0.00 0.21 0.00 0.00 66.02 66.30 2crp s SER 28 CO 0.62 0.04 1.78 0.25 0.41 0.00 0.00 173.24 176.35 2crp h LEU 29 N 6.28 0.36 -0.92 2.44 5.85 -1.84 -2.90 115.31 124.57 2crp h LEU 29 Ca -0.31 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.53 2crp h LEU 29 Cb 1.18 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 42.07 2crp h LEU 29 CO 0.50 0.24 -0.53 -0.67 -0.34 0.00 0.00 178.44 177.64 2crp n ASP 30 N -4.89 -0.95 -0.40 1.25 -0.08 -1.26 0.13 116.55 110.35 2crp n ASP 30 Ca 0.05 1.63 0.36 0.00 -1.51 0.00 0.00 54.79 55.33 2crp n ASP 30 Cb 0.15 -0.22 0.64 0.00 2.34 0.00 0.00 41.12 44.03 2crp n ASP 30 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2crp h LYS 31 N 0.00 0.01 0.20 -0.67 1.79 -1.81 0.70 116.57 116.79 2crp h LYS 31 Ca 0.16 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2crp h LYS 31 Cb 0.39 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2crp h LYS 31 CO -0.87 0.01 -0.10 1.25 -1.08 0.00 0.00 179.45 178.66 2crp h LEU 32 N 0.01 -0.23 -0.66 2.94 5.85 0.10 -2.76 115.31 120.56 2crp h LEU 32 Ca 0.87 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.72 2crp h LEU 32 Cb 2.55 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 43.52 2crp h LEU 32 CO -0.61 -0.10 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.04 2crp h LEU 33 N -0.39 -0.99 -1.52 2.25 3.38 -0.83 0.54 115.31 117.75 2crp h LEU 33 Ca -0.03 0.23 0.24 0.00 0.09 0.00 0.00 57.88 58.40 2crp h LEU 33 Cb 0.21 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 2crp h LEU 33 CO 0.05 -0.28 0.64 0.06 0.09 0.00 0.00 178.44 178.99 2crp h GLN 34 N -0.09 0.35 -6.38 1.13 3.07 -1.02 -3.40 115.11 108.76 2crp h GLN 34 Ca 0.28 -0.02 -0.54 0.00 0.09 0.00 0.00 58.65 58.46 2crp h GLN 34 Cb 0.55 -0.08 -0.03 0.00 0.08 0.00 0.00 27.48 28.00 2crp h GLN 34 CO -0.72 0.23 0.28 1.21 0.09 0.00 0.00 178.83 179.92 2crp s ASN 35 N -5.48 7.32 0.08 0.06 3.84 0.19 -4.98 114.94 115.96 2crp s ASN 35 Ca -0.08 1.59 -0.30 0.00 0.21 0.00 0.00 52.86 54.28 2crp s ASN 35 Cb 0.23 -2.53 -0.18 0.00 -0.55 0.00 0.00 41.25 38.23 2crp s ASN 35 CO 0.79 -0.12 1.66 -0.55 -2.79 0.00 0.00 177.10 176.09 2crp h ASN 36 N 6.17 -0.53 0.32 -4.21 7.08 -1.79 0.14 115.58 122.75 2crp h ASN 36 Ca -0.42 0.02 -0.01 0.00 -3.08 0.00 0.00 56.30 52.81 2crp h ASN 36 Cb 1.21 0.14 -0.01 0.00 -2.08 0.00 0.00 38.32 37.58 2crp h ASN 36 CO 0.73 -0.38 -0.22 0.22 -2.08 0.00 0.00 177.43 175.70 2crp h TYR 37 N -0.63 -0.58 -0.83 4.14 3.20 -1.93 -0.77 116.97 119.57 2crp h TYR 37 Ca -0.06 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.89 2crp h TYR 37 Cb 0.48 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.89 2crp h TYR 37 CO -0.04 -0.34 0.49 0.78 -1.64 0.00 0.00 178.16 177.41 2crp h GLY 38 N -0.53 1.28 0.59 1.82 0.00 -1.75 -2.17 103.07 102.30 2crp h GLY 38 Ca -0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2crp h GLY 38 CO 0.01 0.18 -0.28 -2.00 0.00 0.00 0.00 176.54 174.44 2crp h LEU 39 N 0.85 -0.67 -0.86 3.11 5.85 -0.43 0.59 115.31 123.75 2crp h LEU 39 Ca 0.39 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.24 2crp h LEU 39 Cb 0.30 0.17 -0.13 0.00 0.37 0.00 0.00 40.66 41.37 2crp h LEU 39 CO -0.22 -0.44 -0.48 0.00 -0.34 0.00 0.00 178.44 176.96 2crp h ALA 40 N -1.55 -0.25 -0.54 1.25 0.00 -1.04 0.61 119.26 117.73 2crp h ALA 40 Ca -0.08 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2crp h ALA 40 Cb 0.61 1.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 2crp h ALA 40 CO 0.13 -0.82 0.31 0.66 0.00 0.00 0.00 179.25 179.53 2crp h SER 41 N -0.08 0.64 -0.90 0.00 4.64 -1.42 -2.15 113.55 114.28 2crp h SER 41 Ca 0.23 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 2crp h SER 41 Cb 0.52 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 2crp h SER 41 CO -0.87 0.51 0.49 0.15 -0.87 0.00 0.00 176.83 176.24 2crp h PHE 42 N 0.74 1.24 0.68 4.77 3.57 0.25 -2.94 116.94 125.25 2crp h PHE 42 Ca 0.19 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2crp h PHE 42 Cb -0.00 -0.40 0.01 0.00 2.79 0.00 0.00 35.95 38.35 2crp h PHE 42 CO 0.00 0.86 -0.33 0.87 -2.23 0.00 0.00 178.31 177.49 2crp h LYS 43 N 1.26 -0.88 -0.89 1.11 1.57 -0.23 -3.12 116.57 115.38 2crp h LYS 43 Ca 0.32 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.28 2crp h LYS 43 Cb 0.03 0.20 -0.13 0.00 0.08 0.00 0.00 32.23 32.41 2crp h LYS 43 CO -0.05 -0.59 -0.40 0.45 -0.57 0.00 0.00 179.45 178.29 2crp n SER 44 N -4.74 -0.69 -0.29 0.86 2.88 -1.08 0.98 113.62 111.53 2crp n SER 44 Ca -0.11 1.57 0.11 0.00 -1.33 0.00 0.00 58.87 59.10 2crp n SER 44 Cb 0.36 -0.31 0.24 0.00 -0.75 0.00 0.00 64.21 63.75 2crp n SER 44 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2crp h PHE 45 N 0.00 0.12 0.12 0.66 3.57 -1.52 -0.06 116.94 119.83 2crp h PHE 45 Ca 0.26 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 2crp h PHE 45 Cb 0.48 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2crp h PHE 45 CO -0.83 -0.28 -0.06 -0.07 -2.23 0.00 0.00 178.31 174.85 2crp h LEU 46 N 0.12 -0.14 -0.98 0.59 3.38 0.68 -2.06 115.31 116.90 2crp h LEU 46 Ca 0.52 -0.22 0.34 0.00 0.09 0.00 0.00 57.88 58.60 2crp h LEU 46 Cb 1.01 0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.63 2crp h LEU 46 CO -0.72 0.15 0.39 0.11 0.09 0.00 0.00 178.44 178.45 2crp h LYS 47 N -0.44 0.11 -0.01 1.13 1.57 0.20 0.96 116.57 120.10 2crp h LYS 47 Ca -0.02 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.52 2crp h LYS 47 Cb 0.35 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.64 2crp h LYS 47 CO 0.03 0.07 -0.95 1.03 -0.57 0.00 0.00 179.45 179.05 2crp h SER 48 N 0.11 0.63 -0.25 0.86 0.87 -1.28 -3.09 113.55 111.39 2crp h SER 48 Ca 0.72 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2crp h SER 48 Cb 1.72 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2crp h SER 48 CO -0.75 1.29 0.00 -0.62 -0.53 0.00 0.00 176.83 176.22 2crp n GLU 49 N -3.78 2.29 -2.44 2.24 -0.58 0.28 -4.87 120.64 113.80 2crp n GLU 49 Ca -0.08 -1.20 -0.06 0.00 -0.42 0.00 0.00 57.16 55.40 2crp n GLU 49 Cb 0.84 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 30.08 2crp n GLU 49 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2crp n PHE 50 N 0.29 -1.69 -1.30 -0.32 -1.74 0.15 -4.76 117.46 108.10 2crp n PHE 50 Ca 0.11 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 57.05 2crp n PHE 50 Cb 0.51 -1.85 0.19 0.00 1.52 0.00 0.00 39.48 39.86 2crp n PHE 50 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2crp n SER 51 N -1.59 2.46 0.23 5.98 7.64 -0.56 -4.65 113.62 123.14 2crp n SER 51 Ca -0.07 -3.47 0.11 0.00 1.01 0.00 0.00 58.87 56.45 2crp n SER 51 Cb 0.54 -0.53 0.49 0.00 -1.01 0.00 0.00 64.21 63.71 2crp n SER 51 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2crp h GLU 52 N 0.83 0.00 0.00 1.43 4.81 -1.86 -2.87 114.58 116.92 2crp h GLU 52 Ca 0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2crp h GLU 52 Cb 1.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 2crp h GLU 52 CO 0.13 0.20 -0.08 1.05 -0.73 0.00 0.00 179.01 179.58 2crp h GLU 53 N 0.00 0.00 0.12 1.92 9.09 -1.87 -2.05 114.58 121.79 2crp h GLU 53 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2crp h GLU 53 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 2crp h GLU 53 CO 0.03 0.08 -0.06 -0.91 0.05 0.00 0.00 179.01 178.19 2crp h ASN 54 N 0.00 -0.14 -0.06 3.06 4.21 -1.80 -2.85 115.58 117.99 2crp h ASN 54 Ca -0.00 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.46 2crp h ASN 54 Cb 0.14 0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2crp h ASN 54 CO 0.01 -0.05 -0.00 0.25 -1.29 0.00 0.00 177.43 176.35 2crp h LEU 55 N -0.22 0.10 -0.98 1.61 6.46 -1.65 -3.25 115.31 117.39 2crp h LEU 55 Ca -0.02 -0.31 0.09 0.00 -0.12 0.00 0.00 57.88 57.52 2crp h LEU 55 Cb 0.17 -0.03 -0.12 0.00 -0.73 0.00 0.00 40.66 39.95 2crp h LEU 55 CO 0.03 0.39 -0.57 -0.62 -0.62 0.00 0.00 178.44 177.05 2crp n GLU 56 N -4.87 -0.42 -0.39 1.25 -0.58 -0.80 0.16 120.64 115.00 2crp n GLU 56 Ca -0.07 1.48 0.33 0.00 -0.42 0.00 0.00 57.16 58.48 2crp n GLU 56 Cb 0.19 -2.18 0.66 0.00 -0.57 0.00 0.00 31.44 29.53 2crp n GLU 56 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2crp h PHE 57 N 0.00 0.34 0.15 -0.32 3.57 -1.54 0.34 116.94 119.48 2crp h PHE 57 Ca 0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 2crp h PHE 57 Cb 0.41 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2crp h PHE 57 CO -1.00 -0.03 -0.07 2.35 -2.23 0.00 0.00 178.31 177.33 2crp h TRP 58 N 0.15 -0.19 -0.93 0.41 7.01 0.15 -2.52 115.95 120.04 2crp h TRP 58 Ca 0.67 -0.00 0.26 0.00 2.11 0.00 0.00 58.89 61.93 2crp h TRP 58 Cb 2.23 0.06 -0.14 0.00 -2.10 0.00 0.00 29.16 29.21 2crp h TRP 58 CO -0.00 -0.12 0.36 0.82 -2.79 0.00 0.00 178.44 176.71 2crp h ILE 59 N -0.50 0.31 0.37 2.65 2.04 -0.52 -0.05 117.51 121.82 2crp h ILE 59 Ca -0.02 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2crp h ILE 59 Cb 0.16 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2crp h ILE 59 CO 0.03 0.05 -0.18 0.00 0.00 0.00 0.00 178.15 178.05 2crp h ALA 60 N 1.81 -0.50 -0.48 1.87 0.00 -1.05 -2.62 119.26 118.28 2crp h ALA 60 Ca 0.62 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.45 2crp h ALA 60 Cb 1.30 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.21 2crp h ALA 60 CO -0.64 -0.75 -0.52 0.00 0.00 0.00 0.00 179.25 177.34 2crp h GLU 62 N -0.30 0.49 0.00 0.00 4.39 -1.45 0.87 114.58 118.58 2crp h GLU 62 Ca 0.08 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2crp h GLU 62 Cb 0.51 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2crp h GLU 62 CO -0.61 0.32 -0.10 0.22 -1.16 0.00 0.00 179.01 177.69 2crp h ASP 63 N 0.50 0.00 1.59 1.42 1.82 -0.33 -1.79 116.42 119.63 2crp h ASP 63 Ca 0.57 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.21 2crp h ASP 63 Cb 1.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.05 2crp h ASP 63 CO -0.48 0.10 -0.33 0.22 -1.61 0.00 0.00 179.24 177.14 2crp h TYR 64 N 0.00 0.00 -0.08 0.28 5.03 0.25 -3.28 116.97 119.17 2crp h TYR 64 Ca -0.00 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.15 2crp h TYR 64 Cb 0.37 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 2crp h TYR 64 CO 0.00 0.00 -0.63 0.87 -1.32 0.00 0.00 178.16 177.08 2crp h LYS 65 N 0.00 0.29 -0.93 1.82 1.79 -0.51 -2.87 116.57 116.16 2crp h LYS 65 Ca 0.00 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2crp h LYS 65 Cb 0.96 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 2crp h LYS 65 CO 0.00 0.82 0.00 0.36 -1.08 0.00 0.00 179.45 179.55 2crp n LYS 66 N -3.87 1.28 -3.42 3.15 2.85 -1.21 -4.75 118.16 112.19 2crp n LYS 66 Ca -0.03 -0.23 -0.42 0.00 -1.05 0.00 0.00 58.31 56.59 2crp n LYS 66 Cb 0.63 -1.53 -0.10 0.00 -0.65 0.00 0.00 35.03 33.39 2crp n LYS 66 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2crp s ILE 67 N -1.16 5.19 -0.15 0.58 1.01 -1.09 -4.91 121.20 120.67 2crp s ILE 67 Ca 0.04 -0.29 0.11 0.00 0.00 0.00 0.00 60.65 60.52 2crp s ILE 67 Cb 0.03 -3.89 -0.23 0.00 0.01 0.00 0.00 42.46 38.38 2crp s ILE 67 CO 0.01 -0.22 0.26 2.29 0.00 0.00 0.00 174.94 177.28 2crp n LYS 68 N 5.34 0.67 -1.56 2.79 -0.00 -1.26 -4.70 118.16 119.44 2crp n LYS 68 Ca -0.10 0.14 -0.51 0.00 -0.00 0.00 0.00 58.31 57.85 2crp n LYS 68 Cb 0.48 -1.63 -0.05 0.00 -0.00 0.00 0.00 35.03 33.83 2crp n LYS 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2crp n SER 69 N -3.00 1.06 0.23 -5.58 7.64 -1.26 -4.84 113.62 107.87 2crp n SER 69 Ca -0.29 1.14 0.10 0.00 1.01 0.00 0.00 58.87 60.82 2crp n SER 69 Cb 1.09 -1.16 0.51 0.00 -1.01 0.00 0.00 64.21 63.64 2crp n SER 69 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2crp h PRO 70 N 3.41 0.00 0.07 1.43 0.13 -2.00 -1.15 132.00 133.89 2crp h PRO 70 Ca -0.44 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.34 2crp h PRO 70 Cb 1.36 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 2crp h PRO 70 CO 0.70 0.22 -1.97 0.00 -0.23 0.00 0.00 178.00 176.73 2crp n ALA 71 N -2.25 1.15 -0.04 -0.56 0.00 -1.26 -4.07 120.51 113.48 2crp n ALA 71 Ca -0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 2crp n ALA 71 Cb 0.39 -0.66 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 2crp n ALA 71 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2crp h LYS 72 N 0.04 0.20 -1.03 0.00 1.63 -1.92 0.43 116.57 115.91 2crp h LYS 72 Ca -0.40 -0.12 0.26 0.00 -0.85 0.00 0.00 60.65 59.54 2crp h LYS 72 Cb 2.03 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 33.57 2crp h LYS 72 CO 0.07 0.69 0.66 0.52 -3.45 0.00 0.00 179.45 177.93 2crp h MET 73 N -0.27 0.42 0.00 1.90 2.86 -1.41 0.61 114.93 119.05 2crp h MET 73 Ca 0.01 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 2crp h MET 73 Cb 0.67 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2crp h MET 73 CO 0.03 0.28 -0.93 0.00 1.06 0.00 0.00 176.91 177.34 2crp n ALA 74 N -2.44 0.63 0.25 6.32 0.00 -1.19 -3.77 120.51 120.31 2crp n ALA 74 Ca 0.25 -0.47 -0.17 0.00 0.00 0.00 0.00 53.44 53.05 2crp n ALA 74 Cb 0.85 -0.27 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 2crp n ALA 74 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2crp h GLU 75 N -1.00 -0.89 -0.91 0.00 4.39 0.13 -2.19 114.58 114.11 2crp h GLU 75 Ca -0.19 0.06 0.24 0.00 0.34 0.00 0.00 59.36 59.81 2crp h GLU 75 Cb 0.93 0.20 -0.13 0.00 -0.10 0.00 0.00 28.75 29.65 2crp h GLU 75 CO -0.12 -0.59 0.38 -0.22 -1.16 0.00 0.00 179.01 177.30 2crp h LYS 76 N -0.92 0.33 -0.50 2.33 1.63 0.06 0.62 116.57 120.11 2crp h LYS 76 Ca -0.04 -0.02 0.10 0.00 -0.85 0.00 0.00 60.65 59.83 2crp h LYS 76 Cb 0.83 -0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.29 2crp h LYS 76 CO -0.10 0.22 -0.07 0.00 -3.45 0.00 0.00 179.45 176.05 2crp h ALA 77 N 1.75 0.39 -0.45 5.00 0.00 -1.49 0.98 119.26 125.44 2crp h ALA 77 Ca 0.58 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.69 2crp h ALA 77 Cb 1.15 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2crp h ALA 77 CO -0.57 -0.42 0.30 1.57 0.00 0.00 0.00 179.25 180.13 2crp h LYS 78 N 0.04 0.52 0.83 0.00 2.10 -0.68 -2.55 116.57 116.83 2crp h LYS 78 Ca 0.25 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.82 2crp h LYS 78 Cb 0.38 -0.12 0.01 0.00 -0.90 0.00 0.00 32.23 31.60 2crp h LYS 78 CO -0.47 0.34 -0.40 1.96 -2.00 0.00 0.00 179.45 178.88 2crp h GLN 79 N 0.53 -1.08 -0.74 0.07 4.20 -0.53 0.33 115.11 117.90 2crp h GLN 79 Ca 0.18 0.07 0.17 0.00 0.06 0.00 0.00 58.65 59.13 2crp h GLN 79 Cb 0.06 0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 2crp h GLN 79 CO -0.04 -0.72 0.51 0.82 -0.67 0.00 0.00 178.83 178.73 2crp h ILE 80 N -1.14 0.74 0.00 2.54 2.04 -1.21 -0.99 117.51 119.49 2crp h ILE 80 Ca -0.11 -0.09 -0.16 0.00 1.00 0.00 0.00 64.86 65.49 2crp h ILE 80 Cb 0.86 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2crp h ILE 80 CO 0.19 0.05 -0.63 0.22 0.00 0.00 0.00 178.15 177.98 2crp h TYR 81 N 0.27 0.63 0.00 1.37 5.03 -1.10 0.17 116.97 123.34 2crp h TYR 81 Ca 0.36 -0.34 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2crp h TYR 81 Cb 1.03 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.24 2crp h TYR 81 CO -0.00 1.17 0.00 0.39 -1.32 0.00 0.00 178.16 178.39 2crp n GLU 82 N -4.20 0.04 -0.10 1.82 -0.58 0.11 0.23 120.64 117.98 2crp n GLU 82 Ca -0.10 0.28 -0.20 0.00 -0.42 0.00 0.00 57.16 56.72 2crp n GLU 82 Cb 0.69 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.99 2crp n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2crp n GLU 83 N -1.44 0.42 -0.10 3.49 2.13 -0.55 -4.55 120.64 120.04 2crp n GLU 83 Ca 0.03 0.18 -0.18 0.00 0.66 0.00 0.00 57.16 57.86 2crp n GLU 83 Cb 0.11 -1.21 -0.06 0.00 0.27 0.00 0.00 31.44 30.54 2crp n GLU 83 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2crp n PHE 84 N -3.94 0.00 0.94 4.31 3.72 0.04 -3.54 117.46 118.99 2crp n PHE 84 Ca -0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 2crp n PHE 84 Cb 0.74 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 2crp n PHE 84 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2crp n ILE 85 N -4.24 0.63 -4.05 4.37 2.08 0.43 -4.06 119.36 114.52 2crp n ILE 85 Ca -0.32 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 62.70 2crp n ILE 85 Cb 0.67 -0.81 -0.06 0.00 -0.75 0.00 0.00 39.64 38.70 2crp n ILE 85 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2crp s GLN 86 N -0.29 2.96 0.12 0.38 0.74 0.64 -4.64 119.66 119.57 2crp s GLN 86 Ca 0.00 -0.74 -0.32 0.00 0.05 0.00 0.00 55.36 54.35 2crp s GLN 86 Cb 0.00 -2.73 -0.12 0.00 1.10 0.00 0.00 33.01 31.26 2crp s GLN 86 CO 0.00 0.53 1.78 2.41 -0.55 0.00 0.00 175.29 179.46 2crp n THR 87 N 0.07 0.27 -2.51 -0.34 -1.04 -1.26 -1.58 114.28 107.90 2crp n THR 87 Ca -0.08 -0.05 -0.07 0.00 -2.04 0.00 0.00 64.05 61.81 2crp n THR 87 Cb 0.53 -1.97 -0.00 0.00 -1.82 0.00 0.00 70.33 67.07 2crp n THR 87 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2crp n GLU 88 N 5.11 -2.60 -0.80 -2.82 -0.58 -1.26 -4.86 120.64 112.84 2crp n GLU 88 Ca 0.18 0.32 -0.33 0.00 -0.42 0.00 0.00 57.16 56.91 2crp n GLU 88 Cb 0.34 -4.87 0.12 0.00 -0.57 0.00 0.00 31.44 26.46 2crp n GLU 88 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crp n ALA 89 N -2.39 -3.36 0.17 0.62 0.00 -0.61 -4.89 120.51 110.05 2crp n ALA 89 Ca -0.07 -0.77 0.02 0.00 0.00 0.00 0.00 53.44 52.61 2crp n ALA 89 Cb 0.56 -1.63 0.29 0.00 0.00 0.00 0.00 19.45 18.67 2crp n ALA 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2crp h PRO 90 N -1.57 0.00 0.00 0.00 0.13 -1.89 -3.19 132.00 125.48 2crp h PRO 90 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2crp h PRO 90 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2crp h PRO 90 CO 0.33 0.46 -0.07 1.63 -0.23 0.00 0.00 178.00 180.13 2crp n LYS 91 N -3.92 1.46 -1.49 0.86 5.02 -1.23 -5.04 118.16 113.82 2crp n LYS 91 Ca -0.01 -1.99 -0.42 0.00 -2.02 0.00 0.00 58.31 53.87 2crp n LYS 91 Cb 0.49 -1.19 -0.14 0.00 -0.02 0.00 0.00 35.03 34.18 2crp n LYS 91 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2crp n GLU 92 N -0.94 0.08 -0.15 1.97 2.13 -1.21 -4.72 120.64 117.80 2crp n GLU 92 Ca 0.09 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.75 2crp n GLU 92 Cb 0.54 -1.64 0.15 0.00 0.27 0.00 0.00 31.44 30.77 2crp n GLU 92 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2crp n VAL 93 N 7.48 0.00 -3.25 6.31 0.24 -1.26 -4.92 118.33 122.93 2crp n VAL 93 Ca 0.63 0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 62.48 2crp n VAL 93 Cb 0.06 -0.51 -0.04 0.00 -1.47 0.00 0.00 33.84 31.88 2crp n VAL 93 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2crp s ASN 94 N -2.46 6.28 -0.18 -1.34 -0.87 -1.26 -5.00 114.94 110.11 2crp s ASN 94 Ca 0.34 -1.83 -0.04 0.00 -1.57 0.00 0.00 52.86 49.77 2crp s ASN 94 Cb -0.06 -2.24 0.09 0.00 -0.02 0.00 0.00 41.25 39.02 2crp s ASN 94 CO 0.29 -0.89 0.23 0.27 -2.57 0.00 0.00 177.10 174.43 2crp s ILE 95 N 1.71 -0.35 0.96 0.60 -4.36 -1.26 -4.77 121.20 113.72 2crp s ILE 95 Ca 0.08 0.01 -0.13 0.00 -0.26 0.00 0.00 60.65 60.35 2crp s ILE 95 Cb -0.25 -0.61 0.04 0.00 1.25 0.00 0.00 42.46 42.89 2crp s ILE 95 CO 0.02 -0.11 0.41 -0.90 0.24 0.00 0.00 174.94 174.60 2crp n ASP 96 N 5.33 -2.05 -0.34 4.36 5.75 -1.26 -4.33 116.55 124.01 2crp n ASP 96 Ca -0.05 0.31 0.20 0.00 -0.01 0.00 0.00 54.79 55.24 2crp n ASP 96 Cb 0.50 -1.20 0.44 0.00 -1.03 0.00 0.00 41.12 39.82 2crp n ASP 96 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 2crp h HIS 97 N -1.59 0.87 0.00 2.11 -0.00 -2.01 -0.55 115.15 113.98 2crp h HIS 97 Ca -0.44 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 2crp h HIS 97 Cb 1.28 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 2crp h HIS 97 CO 0.38 0.06 0.00 0.34 -0.00 0.00 0.00 177.93 178.71 2crp n PHE 98 N -4.78 0.00 0.21 5.26 7.35 -1.26 0.10 117.46 124.34 2crp n PHE 98 Ca 0.26 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.80 2crp n PHE 98 Cb 0.81 -0.47 -0.08 0.00 0.35 0.00 0.00 39.48 40.09 2crp n PHE 98 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2crp h THR 99 N 0.00 0.65 -0.88 -2.13 2.02 -1.79 -2.63 112.91 108.15 2crp h THR 99 Ca 0.00 -0.03 0.22 0.00 0.77 0.00 0.00 66.41 67.37 2crp h THR 99 Cb 0.00 0.67 -0.16 0.00 -1.74 0.00 0.00 68.15 66.92 2crp h THR 99 CO 0.00 0.01 0.01 0.50 0.37 0.00 0.00 175.52 176.41 2crp h LYS 100 N -0.50 0.06 -0.55 6.66 3.11 -1.04 0.40 116.57 124.72 2crp h LYS 100 Ca -0.05 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 2crp h LYS 100 Cb 0.38 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.57 2crp h LYS 100 CO 0.08 0.04 0.35 0.22 -2.81 0.00 0.00 179.45 177.33 2crp h ASP 101 N 0.07 0.64 -0.23 4.20 3.58 -0.11 -3.14 116.42 121.43 2crp h ASP 101 Ca 0.50 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.95 2crp h ASP 101 Cb 0.96 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.80 2crp h ASP 101 CO -0.80 0.48 -0.35 0.40 -2.88 0.00 0.00 179.24 176.10 2crp h ILE 102 N 0.74 0.00 -0.91 2.25 1.08 0.16 -1.39 117.51 119.43 2crp h ILE 102 Ca 0.20 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.84 2crp h ILE 102 Cb -0.05 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.53 2crp h ILE 102 CO -0.04 0.00 -0.27 0.74 -0.69 0.00 0.00 178.15 177.89 2crp h THR 103 N -0.27 0.07 -0.38 -0.27 2.02 -1.45 0.12 112.91 112.74 2crp h THR 103 Ca 0.04 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.29 2crp h THR 103 Cb 0.38 0.07 -0.09 0.00 -1.74 0.00 0.00 68.15 66.77 2crp h THR 103 CO -0.36 0.00 -0.37 0.24 0.37 0.00 0.00 175.52 175.41 2crp h MET 104 N -0.01 -0.29 0.00 6.66 2.86 -1.24 0.78 114.93 123.69 2crp h MET 104 Ca 0.41 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 2crp h MET 104 Cb 0.65 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2crp h MET 104 CO -0.94 -0.19 0.00 1.63 1.06 0.00 0.00 176.91 178.47 2crp n LYS 105 N -5.42 0.14 -0.01 1.72 5.02 0.32 -0.25 118.16 119.67 2crp n LYS 105 Ca 0.00 0.59 0.13 0.00 -2.02 0.00 0.00 58.31 57.01 2crp n LYS 105 Cb 0.34 -1.91 0.27 0.00 -0.02 0.00 0.00 35.03 33.71 2crp n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2crp n ASN 106 N -2.20 2.42 -0.50 4.39 3.02 0.26 -3.96 115.26 118.69 2crp n ASN 106 Ca -0.01 -1.80 0.12 0.00 -0.03 0.00 0.00 54.58 52.86 2crp n ASN 106 Cb 0.06 -0.01 0.44 0.00 -0.61 0.00 0.00 39.78 39.66 2crp n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2crp n LEU 107 N 0.89 1.51 0.00 3.41 4.77 0.65 -2.58 117.00 125.65 2crp n LEU 107 Ca 0.16 -0.59 -0.22 0.00 -0.03 0.00 0.00 56.01 55.33 2crp n LEU 107 Cb 0.50 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 2crp n LEU 107 CO 0.16 0.30 -0.71 1.62 -1.33 0.00 0.00 177.39 177.42 2crp h VAL 108 N 2.12 0.73 -0.83 4.08 3.04 -1.71 -3.41 116.25 120.27 2crp h VAL 108 Ca 0.00 -2.35 -0.38 0.00 -1.01 0.00 0.00 66.70 62.97 2crp h VAL 108 Cb 0.46 2.52 -0.41 0.00 -2.01 0.00 0.00 31.29 31.86 2crp h VAL 108 CO 0.00 0.82 -1.05 -0.62 -1.01 0.00 0.00 177.57 175.71 2crp n GLU 109 N -3.64 2.03 -2.21 4.17 1.02 -1.25 -5.10 120.64 115.65 2crp n GLU 109 Ca -0.31 -3.65 -0.42 0.00 -0.02 0.00 0.00 57.16 52.77 2crp n GLU 109 Cb 1.00 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 30.73 2crp n GLU 109 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2crp s PRO 110 N -3.50 4.37 0.04 3.49 0.04 -1.07 -4.92 135.00 133.45 2crp s PRO 110 Ca 0.33 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2crp s PRO 110 Cb 0.39 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2crp s PRO 110 CO -0.02 -0.32 0.00 0.45 0.04 0.00 0.00 177.00 177.14 2crp n SER 111 N 3.24 0.16 0.00 6.66 2.88 -1.26 -4.52 113.62 120.78 2crp n SER 111 Ca 0.08 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2crp n SER 111 Cb 0.43 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2crp n SER 111 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2crp n LEU 112 N -2.75 0.46 -1.60 2.46 4.77 -1.26 -4.81 117.00 114.27 2crp n LEU 112 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 2crp n LEU 112 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 2crp n LEU 112 CO 0.00 -0.10 0.84 -1.54 -1.33 0.00 0.00 177.39 175.25 2crp n SER 113 N -2.26 3.78 -0.30 -1.43 3.41 -1.26 -4.44 113.62 111.11 2crp n SER 113 Ca 0.00 -2.83 0.01 0.00 -0.26 0.00 0.00 58.87 55.79 2crp n SER 113 Cb 0.16 -0.67 0.14 0.00 -0.26 0.00 0.00 64.21 63.58 2crp n SER 113 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2crp h SER 114 N 1.60 0.79 -0.87 4.04 4.64 -1.88 -2.08 113.55 119.78 2crp h SER 114 Ca 0.21 0.02 -0.59 0.00 -0.47 0.00 0.00 61.79 60.96 2crp h SER 114 Cb 1.85 -0.14 -0.32 0.00 -0.31 0.00 0.00 62.40 63.48 2crp h SER 114 CO 0.52 0.50 0.28 0.49 -0.87 0.00 0.00 176.83 177.75 2crp n PHE 115 N -4.65 2.91 0.37 4.77 3.01 -1.26 -4.72 117.46 117.88 2crp n PHE 115 Ca 0.12 -2.60 -0.15 0.00 1.01 0.00 0.00 57.45 55.83 2crp n PHE 115 Cb 0.19 -1.01 -0.07 0.00 -0.01 0.00 0.00 39.48 38.58 2crp n PHE 115 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2crp h ASP 116 N 1.91 -0.82 0.69 4.37 3.58 -1.68 -0.74 116.42 123.73 2crp h ASP 116 Ca 0.51 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.96 2crp h ASP 116 Cb 1.24 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 2crp h ASP 116 CO 1.22 -0.44 -0.48 -0.03 -2.88 0.00 0.00 179.24 176.63 2crp h MET 117 N -1.25 -1.08 -0.81 0.28 4.05 -1.84 -0.39 114.93 113.88 2crp h MET 117 Ca -0.10 0.07 0.18 0.00 -0.28 0.00 0.00 59.70 59.58 2crp h MET 117 Cb 0.74 0.25 -0.11 0.00 -0.80 0.00 0.00 31.60 31.67 2crp h MET 117 CO 0.16 -0.72 0.29 0.00 0.23 0.00 0.00 176.91 176.88 2crp h ALA 118 N -1.00 1.18 0.66 0.39 0.00 -1.88 0.64 119.26 119.25 2crp h ALA 118 Ca -0.09 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2crp h ALA 118 Cb 0.92 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2crp h ALA 118 CO 0.06 -0.31 -0.32 0.37 0.00 0.00 0.00 179.25 179.05 2crp h GLN 119 N 0.37 -0.85 0.00 0.00 5.75 -0.80 -1.34 115.11 118.23 2crp h GLN 119 Ca 0.48 0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 59.01 2crp h GLN 119 Cb 0.84 0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.58 2crp h GLN 119 CO -0.50 -0.56 -0.10 1.57 -2.65 0.00 0.00 178.83 176.59 2crp h LYS 120 N -0.92 0.00 0.45 1.69 2.10 -0.26 -0.83 116.57 118.81 2crp h LYS 120 Ca -0.09 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 2crp h LYS 120 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 2crp h LYS 120 CO 0.15 0.10 -0.22 -0.09 -2.00 0.00 0.00 179.45 177.40 2crp h ARG 121 N 0.00 -0.58 -0.48 0.07 1.12 0.66 -2.38 114.38 112.78 2crp h ARG 121 Ca -0.00 0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 58.86 2crp h ARG 121 Cb 0.23 0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.30 2crp h ARG 121 CO 0.01 -0.28 0.11 0.82 -3.11 0.00 0.00 179.97 177.53 2crp h ILE 122 N -0.94 1.24 -0.96 1.20 1.08 -1.10 -2.77 117.51 115.26 2crp h ILE 122 Ca -0.06 -0.85 0.15 0.00 -0.39 0.00 0.00 64.86 63.71 2crp h ILE 122 Cb 0.58 0.87 -0.08 0.00 -3.07 0.00 0.00 36.82 35.11 2crp h ILE 122 CO 0.10 0.30 0.61 -0.74 -0.69 0.00 0.00 178.15 177.73 2crp h HIS 123 N 0.66 0.98 0.00 1.37 2.76 -1.21 0.33 115.15 120.04 2crp h HIS 123 Ca 0.15 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 2crp h HIS 123 Cb 0.34 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 2crp h HIS 123 CO 0.02 0.33 -0.17 0.00 -1.30 0.00 0.00 177.93 176.82 2crp h ALA 124 N 1.59 1.05 0.19 5.26 0.00 -1.14 -2.48 119.26 123.72 2crp h ALA 124 Ca 0.50 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.95 2crp h ALA 124 Cb 0.70 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.49 2crp h ALA 124 CO -0.26 0.21 -1.42 1.25 0.00 0.00 0.00 179.25 179.02 2crp h LEU 125 N 0.00 0.64 -0.16 0.00 5.85 -0.26 -2.76 115.31 118.63 2crp h LEU 125 Ca -0.00 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.80 2crp h LEU 125 Cb 0.65 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2crp h LEU 125 CO 0.02 1.66 0.00 0.23 -0.34 0.00 0.00 178.44 180.01 2crp n MET 126 N -3.80 0.07 -0.03 1.25 0.00 -0.15 0.88 117.12 115.34 2crp n MET 126 Ca -0.20 0.24 0.02 0.00 0.00 0.00 0.00 57.70 57.76 2crp n MET 126 Cb 1.01 -1.61 -0.15 0.00 0.00 0.00 0.00 33.22 32.47 2crp n MET 126 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2crp n GLU 127 N -1.73 0.66 0.00 0.03 0.28 -0.94 0.40 120.64 119.34 2crp n GLU 127 Ca 0.04 -0.07 0.05 0.00 -0.16 0.00 0.00 57.16 57.02 2crp n GLU 127 Cb 0.24 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.54 2crp n GLU 127 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2crp n LYS 128 N -2.52 1.96 0.01 3.44 -0.00 -1.04 -4.06 118.16 115.95 2crp n LYS 128 Ca -0.15 -0.65 -0.01 0.00 -0.00 0.00 0.00 58.31 57.51 2crp n LYS 128 Cb 0.80 -1.09 -0.00 0.00 -0.00 0.00 0.00 35.03 34.74 2crp n LYS 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2crp n ASP 129 N -0.19 0.63 0.01 -5.58 2.03 0.25 -4.74 116.55 108.97 2crp n ASP 129 Ca 0.04 0.09 -0.06 0.00 0.52 0.00 0.00 54.79 55.38 2crp n ASP 129 Cb 0.22 -0.26 -0.04 0.00 -0.72 0.00 0.00 41.12 40.31 2crp n ASP 129 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2crp h SER 130 N -0.10 -0.12 -0.78 1.67 0.02 -1.59 -2.87 113.55 109.77 2crp h SER 130 Ca 0.00 -0.22 0.12 0.00 -0.84 0.00 0.00 61.79 60.86 2crp h SER 130 Cb 0.10 0.03 -0.13 0.00 0.14 0.00 0.00 62.40 62.55 2crp h SER 130 CO 0.00 0.45 -0.30 -0.11 -1.14 0.00 0.00 176.83 175.74 2crp n LEU 131 N -4.85 -0.49 0.21 5.07 7.94 0.16 0.25 117.00 125.29 2crp n LEU 131 Ca -0.04 1.36 0.07 0.00 -1.11 0.00 0.00 56.01 56.28 2crp n LEU 131 Cb 0.16 -0.32 0.43 0.00 0.53 0.00 0.00 43.42 44.23 2crp n LEU 131 CO 0.13 -1.22 0.76 1.55 -1.11 0.00 0.00 177.39 177.49 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.71 -2.60 132.00 129.78 2crp h PRO 132 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 2crp h PRO 132 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2crp h PRO 132 CO -0.77 0.31 -0.68 0.54 -0.23 0.00 0.00 178.00 177.16 2crp n ARG 133 N -3.64 0.16 -0.00 0.86 1.74 0.68 -3.80 116.66 112.67 2crp n ARG 133 Ca -0.01 0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 57.01 2crp n ARG 133 Cb 0.43 -1.58 -0.14 0.00 -1.02 0.00 0.00 32.46 30.15 2crp n ARG 133 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2crp h PHE 134 N 0.00 0.02 -0.24 -1.55 3.57 0.34 -3.32 116.94 115.76 2crp h PHE 134 Ca 0.00 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.31 2crp h PHE 134 Cb 0.64 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2crp h PHE 134 CO 0.00 1.03 -0.53 -0.39 -2.23 0.00 0.00 178.31 176.19 2crp h VAL 135 N 0.00 1.29 -0.55 1.41 -1.51 -1.60 -3.23 116.25 112.07 2crp h VAL 135 Ca -0.23 -1.73 0.03 0.00 -1.23 0.00 0.00 66.70 63.54 2crp h VAL 135 Cb 1.96 1.76 -0.04 0.00 -2.13 0.00 0.00 31.29 32.84 2crp h VAL 135 CO 0.09 0.55 0.33 0.03 -1.23 0.00 0.00 177.57 177.34 2crp h ARG 136 N 0.53 0.63 -7.27 5.19 3.08 -1.71 -3.36 114.38 111.46 2crp h ARG 136 Ca 0.00 -0.04 -0.52 0.00 0.07 0.00 0.00 59.98 59.49 2crp h ARG 136 Cb 1.14 -0.14 0.20 0.00 0.08 0.00 0.00 29.97 31.25 2crp h ARG 136 CO 0.12 0.42 0.22 -1.54 -1.07 0.00 0.00 179.97 178.11 2crp s SER 137 N -5.60 2.83 0.28 7.04 1.04 -1.22 -4.81 113.70 113.26 2crp s SER 137 Ca -0.13 2.20 -0.02 0.00 0.48 0.00 0.00 55.95 58.48 2crp s SER 137 Cb 0.14 -2.57 0.40 0.00 0.10 0.00 0.00 66.02 64.08 2crp s SER 137 CO 0.74 -3.16 1.87 -0.08 0.98 0.00 0.00 173.24 173.59 2crp h GLU 138 N -1.91 0.95 -1.11 4.02 4.81 -1.85 -2.74 114.58 116.75 2crp h GLU 138 Ca -0.43 -0.14 0.41 0.00 -0.13 0.00 0.00 59.36 59.07 2crp h GLU 138 Cb 1.27 -0.17 -0.14 0.00 0.63 0.00 0.00 28.75 30.34 2crp h GLU 138 CO 0.41 0.76 0.68 1.19 -0.73 0.00 0.00 179.01 181.31 2crp n PHE 139 N -4.32 0.78 -0.09 0.92 3.01 -1.26 -0.26 117.46 116.23 2crp n PHE 139 Ca 0.06 0.78 -0.22 0.00 1.01 0.00 0.00 57.45 59.09 2crp n PHE 139 Cb 0.15 -1.20 -0.12 0.00 -0.01 0.00 0.00 39.48 38.30 2crp n PHE 139 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 2crp h TYR 140 N 0.00 0.06 -1.48 1.38 5.03 -1.59 -3.34 116.97 117.03 2crp h TYR 140 Ca 0.78 -0.05 0.43 0.00 2.58 0.00 0.00 58.73 62.47 2crp h TYR 140 Cb 2.34 -0.00 -0.07 0.00 1.55 0.00 0.00 36.73 40.55 2crp h TYR 140 CO -0.01 1.52 1.05 1.96 -1.32 0.00 0.00 178.16 181.37 2crp h GLN 141 N -0.87 0.02 0.01 1.82 1.08 -0.49 1.48 115.11 118.16 2crp h GLN 141 Ca -0.35 -0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.65 2crp h GLN 141 Cb 1.39 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 2crp h GLN 141 CO -0.17 0.02 -0.88 1.05 -0.95 0.00 0.00 178.83 177.89 2crp h GLU 142 N 0.03 0.14 -0.48 1.46 4.11 -1.16 0.53 114.58 119.21 2crp h GLU 142 Ca 0.72 -0.16 0.11 0.00 0.07 0.00 0.00 59.36 60.10 2crp h GLU 142 Cb 2.81 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 32.08 2crp h GLU 142 CO -0.05 0.93 0.33 -0.07 0.07 0.00 0.00 179.01 180.22 2crp h LEU 143 N 0.08 0.14 0.00 3.06 3.38 0.20 -0.05 115.31 122.11 2crp h LEU 143 Ca -0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 2crp h LEU 143 Cb 1.52 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.21 2crp h LEU 143 CO 0.13 0.08 -1.73 2.30 0.09 0.00 0.00 178.44 179.31 2crp n ILE 144 N -4.44 0.74 0.15 1.22 -0.00 -1.18 -4.56 119.36 111.30 2crp n ILE 144 Ca 0.08 -0.34 0.05 0.00 -0.00 0.00 0.00 62.75 62.54 2crp n ILE 144 Cb 0.44 -0.88 0.52 0.00 -0.00 0.00 0.00 39.64 39.72 2crp n ILE 144 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2crp h SER 145 N 0.00 0.19 -2.03 7.28 0.87 0.17 -3.44 113.55 116.59 2crp h SER 145 Ca -0.29 -0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.06 2crp h SER 145 Cb 1.52 -0.05 0.12 0.00 -0.44 0.00 0.00 62.40 63.55 2crp h SER 145 CO -0.02 0.19 -0.10 0.61 -0.53 0.00 0.00 176.83 176.98 2crp n GLY 146 N -1.36 -2.22 3.59 5.77 0.00 -0.04 -4.79 105.19 106.14 2crp n GLY 146 Ca -0.01 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2crp n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crp s PRO 147 N -3.65 3.28 0.08 1.61 0.04 -1.26 -4.91 135.00 130.19 2crp s PRO 147 Ca 0.36 1.20 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 2crp s PRO 147 Cb -0.06 -4.19 0.09 0.00 0.04 0.00 0.00 34.50 30.38 2crp s PRO 147 CO 0.31 -1.92 1.14 0.45 0.04 0.00 0.00 177.00 177.02 2crp s SER 148 N 5.92 -0.04 -0.18 6.66 0.15 -1.26 -5.07 113.70 119.88 2crp s SER 148 Ca 0.74 -0.38 -0.08 0.00 0.70 0.00 0.00 55.95 56.93 2crp s SER 148 Cb -0.19 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 2crp s SER 148 CO 0.32 -0.64 0.09 -0.44 1.20 0.00 0.00 173.24 173.76 2crp s SER 149 N -3.31 5.89 0.00 5.45 0.01 -1.26 -5.07 113.70 115.41 2crp s SER 149 Ca 0.20 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2crp s SER 149 Cb -0.00 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.23 2crp s SER 149 CO 0.01 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.48