#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crp n SER 2 N 0.00 -4.91 -4.06 1.61 2.88 -1.26 -5.00 113.62 102.88 2crp n SER 2 Ca 0.00 -0.60 -0.27 0.00 -1.33 0.00 0.00 58.87 56.67 2crp n SER 2 Cb 0.00 -4.89 -0.17 0.00 -0.75 0.00 0.00 64.21 58.40 2crp n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2crp s SER 3 N -3.62 2.19 0.00 -3.46 1.04 -1.26 -5.01 113.70 103.58 2crp s SER 3 Ca 0.42 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2crp s SER 3 Cb -0.19 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 64.93 2crp s SER 3 CO 0.74 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.62 2crp n GLY 4 N 3.93 1.74 3.78 7.32 0.00 -1.26 -4.96 105.19 115.74 2crp n GLY 4 Ca -0.21 -1.58 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 2crp n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2crp n SER 5 N -0.09 -2.87 -2.35 1.61 7.64 -1.26 -4.89 113.62 111.41 2crp n SER 5 Ca 0.00 -0.79 -0.31 0.00 1.01 0.00 0.00 58.87 58.78 2crp n SER 5 Cb 0.00 -4.04 0.04 0.00 -1.01 0.00 0.00 64.21 59.20 2crp n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2crp n SER 6 N -2.97 6.28 0.00 6.43 3.41 -1.26 -4.91 113.62 120.61 2crp n SER 6 Ca -0.15 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.69 2crp n SER 6 Cb 0.61 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2crp n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crp n GLY 7 N -0.72 1.97 3.71 5.00 0.00 -1.26 -5.08 105.19 108.81 2crp n GLY 7 Ca 0.51 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.81 4.31 1.20 1.61 0.04 -1.26 -5.00 135.00 135.08 2crp s PRO 8 Ca 0.00 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 2crp s PRO 8 Cb 0.00 -3.37 0.23 0.00 0.04 0.00 0.00 34.50 31.40 2crp s PRO 8 CO 0.00 -0.47 0.53 -1.91 0.04 0.00 0.00 177.00 175.19 2crp n GLU 9 N 4.44 -2.60 -4.49 4.56 4.07 -1.26 -5.02 120.64 120.33 2crp n GLU 9 Ca 0.12 -0.75 -0.31 0.00 -0.06 0.00 0.00 57.16 56.16 2crp n GLU 9 Cb 0.43 -1.87 -0.11 0.00 -0.06 0.00 0.00 31.44 29.83 2crp n GLU 9 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 2crp s LYS 10 N -4.03 2.28 1.03 5.31 0.00 -1.26 -5.13 119.74 117.94 2crp s LYS 10 Ca 0.60 -0.88 -0.13 0.00 0.00 0.00 0.00 55.97 55.56 2crp s LYS 10 Cb -0.16 -2.34 0.21 0.00 0.00 0.00 0.00 37.83 35.54 2crp s LYS 10 CO 0.61 0.56 1.09 -1.25 0.00 0.00 0.00 175.35 176.36 2crp s PRO 11 N -1.58 0.15 -0.28 1.78 0.04 -1.26 -5.09 135.00 128.76 2crp s PRO 11 Ca 0.17 0.43 -0.23 0.00 0.04 0.00 0.00 61.00 61.42 2crp s PRO 11 Cb -0.11 -1.71 0.13 0.00 0.04 0.00 0.00 34.50 32.85 2crp s PRO 11 CO 0.08 -2.90 1.03 0.00 0.04 0.00 0.00 177.00 175.25 2crp s ALA 12 N -2.96 -2.05 -0.11 8.56 0.00 -1.26 -5.18 121.76 118.76 2crp s ALA 12 Ca 0.66 1.95 -0.16 0.00 0.00 0.00 0.00 51.96 54.42 2crp s ALA 12 Cb -0.18 -1.52 0.04 0.00 0.00 0.00 0.00 23.12 21.46 2crp s ALA 12 CO 0.58 -0.26 0.41 0.21 0.00 0.00 0.00 175.76 176.69 2crp s LYS 13 N 0.50 0.57 0.74 0.00 2.47 -1.26 -5.16 119.74 117.60 2crp s LYS 13 Ca 0.00 0.36 -0.11 0.00 -1.56 0.00 0.00 55.97 54.66 2crp s LYS 13 Cb -0.05 0.27 0.04 0.00 -1.46 0.00 0.00 37.83 36.63 2crp s LYS 13 CO -0.09 -0.11 1.09 -0.08 0.16 0.00 0.00 175.35 176.32 2crp s THR 14 N -0.27 3.45 0.34 3.43 -1.32 -1.26 -5.07 115.64 114.94 2crp s THR 14 Ca -0.04 0.51 0.04 0.00 -1.21 0.00 0.00 61.69 60.98 2crp s THR 14 Cb -0.03 -3.04 -0.04 0.00 -1.51 0.00 0.00 72.50 67.88 2crp s THR 14 CO 0.02 -0.58 0.14 -1.58 -2.21 0.00 0.00 174.62 170.41 2crp s GLN 15 N -4.79 1.70 0.36 7.08 0.74 -1.26 -5.18 119.66 118.31 2crp s GLN 15 Ca 0.61 -1.99 -0.09 0.00 0.05 0.00 0.00 55.36 53.94 2crp s GLN 15 Cb -0.17 -0.32 0.03 0.00 1.10 0.00 0.00 33.01 33.64 2crp s GLN 15 CO 0.53 -0.44 0.62 -1.59 -0.55 0.00 0.00 175.29 173.87 2crp s LYS 16 N -3.78 2.04 -0.01 1.67 -2.85 -1.26 -5.05 119.74 110.50 2crp s LYS 16 Ca 0.32 -1.57 0.01 0.00 -1.00 0.00 0.00 55.97 53.74 2crp s LYS 16 Cb 0.05 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 2crp s LYS 16 CO 0.17 -0.90 -0.04 0.99 0.10 0.00 0.00 175.35 175.66 2crp s THR 17 N -2.79 0.38 0.41 3.79 2.01 -1.26 -4.91 115.64 113.27 2crp s THR 17 Ca 0.23 -0.17 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 2crp s THR 17 Cb -0.03 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 2crp s THR 17 CO 0.15 0.12 0.67 -0.44 -0.69 0.00 0.00 174.62 174.43 2crp s SER 18 N 0.08 6.28 0.08 3.53 0.01 -1.26 -4.93 113.70 117.49 2crp s SER 18 Ca -0.00 0.70 -0.32 0.00 1.31 0.00 0.00 55.95 57.63 2crp s SER 18 Cb -0.04 -2.14 -0.17 0.00 0.21 0.00 0.00 66.02 63.88 2crp s SER 18 CO -0.00 -0.43 1.63 0.25 0.41 0.00 0.00 173.24 175.09 2crp h LEU 19 N 0.51 -0.80 -1.97 2.44 7.12 -1.89 -0.43 115.31 120.30 2crp h LEU 19 Ca -0.48 0.04 0.05 0.00 0.13 0.00 0.00 57.88 57.62 2crp h LEU 19 Cb 1.21 0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.56 2crp h LEU 19 CO 0.62 -0.51 0.38 0.44 -0.13 0.00 0.00 178.44 179.24 2crp h ASP 20 N -0.81 0.00 0.00 1.25 5.19 -1.98 -2.17 116.42 117.89 2crp h ASP 20 Ca -0.07 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 2crp h ASP 20 Cb 0.66 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 2crp h ASP 20 CO 0.08 0.00 -0.11 -0.08 -3.12 0.00 0.00 179.24 176.01 2crp h GLU 21 N 0.00 0.00 -1.34 3.56 4.57 -1.68 -3.26 114.58 116.44 2crp h GLU 21 Ca 0.08 0.00 0.46 0.00 -1.18 0.00 0.00 59.36 58.71 2crp h GLU 21 Cb 0.85 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.31 2crp h GLU 21 CO -0.00 0.15 0.87 0.00 -1.18 0.00 0.00 179.01 178.85 2crp n ALA 22 N -2.90 1.32 -0.06 2.92 0.00 -0.27 0.24 120.51 121.76 2crp n ALA 22 Ca -0.03 0.80 -0.15 0.00 0.00 0.00 0.00 53.44 54.06 2crp n ALA 22 Cb 0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 2crp n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2crp h LEU 23 N 0.00 0.96 -2.32 0.00 3.38 -1.64 -2.95 115.31 112.74 2crp h LEU 23 Ca 0.83 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 58.29 2crp h LEU 23 Cb 2.73 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 43.20 2crp h LEU 23 CO -0.40 1.33 0.22 1.56 0.09 0.00 0.00 178.44 181.24 2crp h GLN 24 N 0.64 0.00 0.00 1.13 4.20 0.30 0.29 115.11 121.67 2crp h GLN 24 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2crp h GLN 24 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2crp h GLN 24 CO 0.13 0.00 0.00 -1.49 -0.67 0.00 0.00 178.83 176.80 2crp h TRP 25 N 0.00 0.00 0.15 2.96 6.55 -1.32 -2.84 115.95 121.45 2crp h TRP 25 Ca 0.04 0.00 -0.29 0.00 0.95 0.00 0.00 58.89 59.59 2crp h TRP 25 Cb 0.48 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 28.79 2crp h TRP 25 CO 0.00 0.00 -1.27 0.00 -1.05 0.00 0.00 178.44 176.12 2crp h ARG 26 N 0.00 0.38 0.24 0.49 3.08 -0.59 -3.35 114.38 114.64 2crp h ARG 26 Ca 0.00 -0.61 0.01 0.00 0.07 0.00 0.00 59.98 59.45 2crp h ARG 26 Cb 0.45 0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.68 2crp h ARG 26 CO 0.00 1.28 -0.47 -0.44 -1.07 0.00 0.00 179.97 179.27 2crp h ASP 27 N 0.13 -1.35 -3.77 7.04 3.32 -1.57 -3.43 116.42 116.79 2crp h ASP 27 Ca -0.16 0.13 -0.35 0.00 0.02 0.00 0.00 57.03 56.67 2crp h ASP 27 Cb 1.97 0.48 -0.30 0.00 0.22 0.00 0.00 39.33 41.70 2crp h ASP 27 CO 0.22 -0.56 -0.76 -0.55 -1.72 0.00 0.00 179.24 175.87 2crp s SER 28 N -4.60 0.72 0.26 6.45 0.15 -1.24 -5.04 113.70 110.40 2crp s SER 28 Ca -0.17 -0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 2crp s SER 28 Cb 0.06 -0.18 0.49 0.00 -1.71 0.00 0.00 66.02 64.68 2crp s SER 28 CO 0.62 0.02 1.78 0.25 1.20 0.00 0.00 173.24 177.11 2crp h LEU 29 N 6.42 0.60 -0.32 3.45 5.85 -1.84 -2.62 115.31 126.85 2crp h LEU 29 Ca -0.32 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.51 2crp h LEU 29 Cb 1.17 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.11 2crp h LEU 29 CO 0.49 0.29 -0.46 0.44 -0.34 0.00 0.00 178.44 178.86 2crp h ASP 30 N 0.70 -1.54 -0.82 1.25 3.32 -1.94 0.63 116.42 118.02 2crp h ASP 30 Ca 0.44 0.20 0.31 0.00 0.02 0.00 0.00 57.03 58.00 2crp h ASP 30 Cb 0.55 0.63 -0.15 0.00 0.22 0.00 0.00 39.33 40.58 2crp h ASP 30 CO -0.32 -0.34 0.32 0.29 -1.72 0.00 0.00 179.24 177.47 2crp n LYS 31 N -4.91 -0.05 0.22 3.56 5.02 -0.99 -0.29 118.16 120.72 2crp n LYS 31 Ca -0.03 1.16 -0.09 0.00 -2.02 0.00 0.00 58.31 57.33 2crp n LYS 31 Cb 0.28 -2.01 -0.04 0.00 -0.02 0.00 0.00 35.03 33.24 2crp n LYS 31 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2crp h LEU 32 N 0.00 -0.50 -0.58 -0.35 5.85 -0.96 -2.54 115.31 116.23 2crp h LEU 32 Ca 0.64 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.49 2crp h LEU 32 Cb 1.61 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 42.66 2crp h LEU 32 CO -0.67 -0.26 -0.16 -0.07 -0.34 0.00 0.00 178.44 176.94 2crp h LEU 33 N -0.79 -0.60 -0.70 2.25 3.38 -0.23 0.14 115.31 118.76 2crp h LEU 33 Ca -0.06 0.18 0.14 0.00 0.09 0.00 0.00 57.88 58.23 2crp h LEU 33 Cb 0.45 0.38 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 2crp h LEU 33 CO 0.10 -0.21 0.20 1.56 0.09 0.00 0.00 178.44 180.18 2crp h GLN 34 N -0.02 0.31 -6.34 1.13 1.08 -0.71 -3.40 115.11 107.16 2crp h GLN 34 Ca 0.27 -0.02 -0.55 0.00 -1.45 0.00 0.00 58.65 56.91 2crp h GLN 34 Cb 0.44 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2crp h GLN 34 CO -0.60 0.20 0.81 1.21 -0.95 0.00 0.00 178.83 179.50 2crp s ASN 35 N -5.29 6.91 0.16 1.46 2.47 0.02 -4.92 114.94 115.75 2crp s ASN 35 Ca -0.13 2.00 -0.15 0.00 0.42 0.00 0.00 52.86 55.01 2crp s ASN 35 Cb 0.20 -2.56 0.08 0.00 -1.45 0.00 0.00 41.25 37.53 2crp s ASN 35 CO 0.75 -0.69 1.77 -1.13 -3.72 0.00 0.00 177.10 174.08 2crp h ASN 36 N 7.82 0.23 0.60 -4.21 -1.24 -1.80 0.24 115.58 117.22 2crp h ASN 36 Ca -0.36 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 56.66 2crp h ASN 36 Cb 1.17 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.21 2crp h ASN 36 CO 0.90 0.17 -0.36 0.22 -1.29 0.00 0.00 177.43 177.07 2crp h TYR 37 N 0.36 -0.95 -0.97 0.67 3.20 -1.90 -0.16 116.97 117.21 2crp h TYR 37 Ca 0.18 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.07 2crp h TYR 37 Cb 0.13 0.34 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 2crp h TYR 37 CO -0.12 -0.55 0.64 0.78 -1.64 0.00 0.00 178.16 177.26 2crp h GLY 38 N -0.90 1.40 0.66 1.82 0.00 -1.73 -2.74 103.07 101.57 2crp h GLY 38 Ca -0.07 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 2crp h GLY 38 CO 0.08 0.45 -0.31 -2.00 0.00 0.00 0.00 176.54 174.75 2crp h LEU 39 N 1.26 -0.75 -0.98 3.11 5.85 -0.32 0.23 115.31 123.72 2crp h LEU 39 Ca 0.37 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.29 2crp h LEU 39 Cb -0.06 0.19 -0.17 0.00 0.37 0.00 0.00 40.66 40.99 2crp h LEU 39 CO -0.10 -0.51 -0.32 0.00 -0.34 0.00 0.00 178.44 177.16 2crp h ALA 40 N -1.55 0.38 -0.28 1.25 0.00 -0.98 0.30 119.26 118.38 2crp h ALA 40 Ca -0.09 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2crp h ALA 40 Cb 0.67 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2crp h ALA 40 CO 0.15 -0.51 0.03 0.77 0.00 0.00 0.00 179.25 179.68 2crp h SER 41 N -0.01 0.46 -0.80 0.00 0.02 -1.44 -2.87 113.55 108.91 2crp h SER 41 Ca 0.40 -0.28 0.16 0.00 -0.84 0.00 0.00 61.79 61.23 2crp h SER 41 Cb 0.65 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 62.97 2crp h SER 41 CO -0.99 0.63 0.34 0.15 -1.14 0.00 0.00 176.83 175.81 2crp h PHE 42 N 0.28 0.57 0.49 3.45 3.57 0.29 -2.06 116.94 123.53 2crp h PHE 42 Ca 0.08 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2crp h PHE 42 Cb 0.37 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2crp h PHE 42 CO 0.03 0.05 -0.24 0.87 -2.23 0.00 0.00 178.31 176.80 2crp h LYS 43 N 0.46 -0.64 -0.95 1.11 1.57 -0.79 -2.86 116.57 114.47 2crp h LYS 43 Ca 0.45 0.04 0.27 0.00 -1.87 0.00 0.00 60.65 59.55 2crp h LYS 43 Cb 0.72 0.14 -0.18 0.00 0.08 0.00 0.00 32.23 33.00 2crp h LYS 43 CO -0.43 -0.42 0.06 0.45 -0.57 0.00 0.00 179.45 178.54 2crp n SER 44 N -3.85 -0.07 -0.17 0.86 2.88 -1.04 0.12 113.62 112.35 2crp n SER 44 Ca -0.08 1.61 -0.02 0.00 -1.33 0.00 0.00 58.87 59.04 2crp n SER 44 Cb 0.26 -0.60 0.07 0.00 -0.75 0.00 0.00 64.21 63.19 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 0.27 -0.47 0.66 3.57 -1.26 -1.93 116.94 117.77 2crp h PHE 45 Ca 0.59 0.03 0.04 0.00 3.53 0.00 0.00 57.97 62.16 2crp h PHE 45 Cb 1.27 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 2crp h PHE 45 CO -0.44 0.06 0.24 -0.07 -2.23 0.00 0.00 178.31 175.86 2crp h LEU 46 N 0.32 0.34 -0.59 0.59 3.38 0.11 -1.98 115.31 117.49 2crp h LEU 46 Ca 0.26 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.36 2crp h LEU 46 Cb 0.31 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.91 2crp h LEU 46 CO -0.29 0.24 -0.32 0.11 0.09 0.00 0.00 178.44 178.27 2crp h LYS 47 N 0.47 -0.15 -0.64 1.13 1.57 -0.83 1.61 116.57 119.73 2crp h LYS 47 Ca 0.21 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 2crp h LYS 47 Cb 0.11 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2crp h LYS 47 CO -0.14 -0.10 0.29 1.03 -0.57 0.00 0.00 179.45 179.96 2crp h SER 48 N -0.15 0.85 1.01 0.86 0.87 -1.33 -1.76 113.55 113.89 2crp h SER 48 Ca 0.24 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2crp h SER 48 Cb 0.55 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2crp h SER 48 CO -0.68 0.75 0.00 -0.62 -0.53 0.00 0.00 176.83 175.76 2crp n GLU 49 N -4.47 0.22 -2.70 2.24 -0.58 0.01 -4.90 120.64 110.46 2crp n GLU 49 Ca 0.04 0.34 -0.12 0.00 -0.42 0.00 0.00 57.16 57.01 2crp n GLU 49 Cb 0.14 -1.85 0.02 0.00 -0.57 0.00 0.00 31.44 29.18 2crp n GLU 49 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2crp n PHE 50 N -2.24 -1.09 -2.35 -0.32 3.72 0.53 -4.94 117.46 110.77 2crp n PHE 50 Ca 0.03 0.30 -0.05 0.00 -0.05 0.00 0.00 57.45 57.68 2crp n PHE 50 Cb 0.31 -2.90 0.06 0.00 -0.94 0.00 0.00 39.48 36.01 2crp n PHE 50 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2crp n SER 51 N -0.56 2.46 0.20 4.37 7.64 -0.55 -4.80 113.62 122.38 2crp n SER 51 Ca -0.06 -2.80 0.08 0.00 1.01 0.00 0.00 58.87 57.11 2crp n SER 51 Cb 0.56 -0.41 0.26 0.00 -1.01 0.00 0.00 64.21 63.61 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 1.94 0.00 -0.47 1.43 4.81 -1.91 -3.17 114.58 117.22 2crp h GLU 52 Ca 0.01 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2crp h GLU 52 Cb 1.43 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.78 2crp h GLU 52 CO 0.31 0.25 0.32 1.05 -0.73 0.00 0.00 179.01 180.21 2crp h GLU 53 N 0.00 0.23 -0.04 1.92 9.09 -1.87 -1.17 114.58 122.74 2crp h GLU 53 Ca -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.39 2crp h GLU 53 Cb 1.00 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 28.05 2crp h GLU 53 CO 0.03 0.15 0.02 -0.91 0.05 0.00 0.00 179.01 178.35 2crp h ASN 54 N 0.23 0.05 0.09 3.06 4.21 -1.84 -2.84 115.58 118.54 2crp h ASN 54 Ca 0.22 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 2crp h ASN 54 Cb 0.55 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 2crp h ASN 54 CO -0.04 0.13 -0.04 0.25 -1.29 0.00 0.00 177.43 176.44 2crp h LEU 55 N -0.02 -0.10 -0.95 1.61 6.46 -1.55 -3.26 115.31 117.49 2crp h LEU 55 Ca 0.02 -0.30 0.09 0.00 -0.12 0.00 0.00 57.88 57.57 2crp h LEU 55 Cb 0.09 0.03 -0.12 0.00 -0.73 0.00 0.00 40.66 39.92 2crp h LEU 55 CO -0.00 0.25 -0.55 -0.62 -0.62 0.00 0.00 178.44 176.90 2crp n GLU 56 N -4.98 -0.40 -0.37 1.25 1.02 -0.52 0.17 120.64 116.81 2crp n GLU 56 Ca -0.08 1.44 0.31 0.00 -0.02 0.00 0.00 57.16 58.81 2crp n GLU 56 Cb 0.21 -2.12 0.62 0.00 -0.02 0.00 0.00 31.44 30.12 2crp n GLU 56 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2crp h PHE 57 N 0.00 0.42 0.24 -0.32 3.57 -1.55 -0.42 116.94 118.88 2crp h PHE 57 Ca 0.17 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 2crp h PHE 57 Cb 0.41 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2crp h PHE 57 CO -0.97 -0.02 -0.12 2.35 -2.23 0.00 0.00 178.31 177.32 2crp h TRP 58 N 0.20 -0.30 -0.90 0.41 7.01 0.17 -2.72 115.95 119.82 2crp h TRP 58 Ca 0.65 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.89 2crp h TRP 58 Cb 2.06 0.10 -0.15 0.00 -2.10 0.00 0.00 29.16 29.07 2crp h TRP 58 CO -0.00 -0.19 0.20 0.82 -2.79 0.00 0.00 178.44 176.48 2crp h ILE 59 N -0.71 0.25 0.36 2.65 2.04 -0.43 0.11 117.51 121.77 2crp h ILE 59 Ca -0.03 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2crp h ILE 59 Cb 0.25 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2crp h ILE 59 CO 0.05 0.03 -0.22 0.00 0.00 0.00 0.00 178.15 178.01 2crp h ALA 60 N 1.82 -0.55 -0.80 1.87 0.00 -1.19 -2.43 119.26 117.98 2crp h ALA 60 Ca 0.57 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.49 2crp h ALA 60 Cb 1.17 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 19.10 2crp h ALA 60 CO -0.71 -0.82 -0.42 0.00 0.00 0.00 0.00 179.25 177.30 2crp h GLU 62 N -0.10 0.90 0.00 0.00 4.39 -1.35 0.25 114.58 118.67 2crp h GLU 62 Ca 0.25 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2crp h GLU 62 Cb 0.56 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2crp h GLU 62 CO -0.84 0.59 0.00 0.22 -1.16 0.00 0.00 179.01 177.83 2crp h ASP 63 N 0.92 0.00 0.73 1.42 3.58 0.30 -2.35 116.42 121.02 2crp h ASP 63 Ca 0.43 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.68 2crp h ASP 63 Cb 0.37 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 2crp h ASP 63 CO -0.24 0.00 -1.40 0.22 -2.88 0.00 0.00 179.24 174.95 2crp h TYR 64 N 0.00 0.00 -0.18 0.28 5.03 0.16 -3.35 116.97 118.91 2crp h TYR 64 Ca 0.00 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 2crp h TYR 64 Cb 0.33 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 2crp h TYR 64 CO 0.00 0.73 -0.37 0.87 -1.32 0.00 0.00 178.16 178.06 2crp h LYS 65 N 0.00 0.40 -0.24 1.82 1.79 -0.75 -2.40 116.57 117.19 2crp h LYS 65 Ca -0.18 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2crp h LYS 65 Cb 1.71 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.35 2crp h LYS 65 CO 0.06 0.72 0.00 0.36 -1.08 0.00 0.00 179.45 179.51 2crp n LYS 66 N -4.05 0.93 -3.08 3.15 2.85 -1.18 -4.74 118.16 112.04 2crp n LYS 66 Ca -0.01 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.83 2crp n LYS 66 Cb 0.48 -1.12 -0.06 0.00 -0.65 0.00 0.00 35.03 33.67 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 -1.75 4.84 -0.13 0.58 1.01 -0.91 -4.90 121.20 119.95 2crp s ILE 67 Ca 0.00 0.57 0.11 0.00 0.00 0.00 0.00 60.65 61.33 2crp s ILE 67 Cb 0.00 -4.13 -0.24 0.00 0.01 0.00 0.00 42.46 38.11 2crp s ILE 67 CO 0.00 -0.39 0.34 2.29 0.00 0.00 0.00 174.94 177.18 2crp n LYS 68 N 6.17 0.67 -1.60 2.79 -0.00 -1.26 -4.75 118.16 120.19 2crp n LYS 68 Ca -0.00 0.18 -0.48 0.00 -0.00 0.00 0.00 58.31 58.00 2crp n LYS 68 Cb 0.48 -1.67 -0.04 0.00 -0.00 0.00 0.00 35.03 33.81 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 -3.03 1.63 0.18 -5.58 7.64 -1.26 -4.87 113.62 108.32 2crp n SER 69 Ca -0.27 1.14 0.02 0.00 1.01 0.00 0.00 58.87 60.77 2crp n SER 69 Cb 1.08 -1.25 0.32 0.00 -1.01 0.00 0.00 64.21 63.34 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 3.63 0.00 0.09 1.43 0.13 -2.00 -2.02 132.00 133.26 2crp h PRO 70 Ca -0.44 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.47 2crp h PRO 70 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 2crp h PRO 70 CO 0.72 0.43 -1.13 0.00 -0.23 0.00 0.00 178.00 177.79 2crp h ALA 71 N 1.57 0.12 0.21 -0.56 0.00 -2.00 -3.35 119.26 115.24 2crp h ALA 71 Ca -0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 2crp h ALA 71 Cb 0.82 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2crp h ALA 71 CO 0.06 0.64 -0.10 -0.22 0.00 0.00 0.00 179.25 179.63 2crp h LYS 72 N -0.49 -0.27 -1.03 0.00 1.63 -1.94 0.45 116.57 114.91 2crp h LYS 72 Ca -0.25 0.02 0.38 0.00 -0.85 0.00 0.00 60.65 59.95 2crp h LYS 72 Cb 1.59 0.06 -0.16 0.00 -0.60 0.00 0.00 32.23 33.12 2crp h LYS 72 CO 0.03 -0.17 0.58 0.52 -3.45 0.00 0.00 179.45 176.97 2crp h MET 73 N -0.30 0.14 0.00 1.90 2.86 -1.54 0.78 114.93 118.77 2crp h MET 73 Ca -0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2crp h MET 73 Cb 0.23 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2crp h MET 73 CO 0.05 0.09 -0.33 0.00 1.06 0.00 0.00 176.91 177.78 2crp h ALA 74 N 1.90 0.00 -0.35 6.32 0.00 -1.59 -3.26 119.26 122.28 2crp h ALA 74 Ca 0.80 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 55.41 2crp h ALA 74 Cb 2.04 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 20.08 2crp h ALA 74 CO -0.67 0.33 -0.40 0.93 0.00 0.00 0.00 179.25 179.45 2crp h GLU 75 N -0.83 -0.33 -0.67 0.00 5.08 0.31 -0.67 114.58 117.49 2crp h GLU 75 Ca 0.00 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 2crp h GLU 75 Cb 0.33 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.56 2crp h GLU 75 CO 0.00 -0.22 0.18 -0.22 -1.00 0.00 0.00 179.01 177.75 2crp h LYS 76 N -0.34 0.29 -0.76 2.33 1.63 0.39 -1.12 116.57 119.00 2crp h LYS 76 Ca 0.13 -0.02 0.17 0.00 -0.85 0.00 0.00 60.65 60.09 2crp h LYS 76 Cb 0.58 -0.07 -0.13 0.00 -0.60 0.00 0.00 32.23 32.01 2crp h LYS 76 CO -0.53 0.19 -0.03 0.00 -3.45 0.00 0.00 179.45 175.63 2crp h ALA 77 N 1.53 0.73 -0.70 5.00 0.00 -1.17 0.31 119.26 124.96 2crp h ALA 77 Ca 0.36 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.49 2crp h ALA 77 Cb 0.56 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2crp h ALA 77 CO -0.43 -0.43 0.29 1.57 0.00 0.00 0.00 179.25 180.25 2crp h LYS 78 N 0.08 1.02 -0.20 0.00 2.10 -0.95 -2.81 116.57 115.81 2crp h LYS 78 Ca 0.40 -0.16 0.05 0.00 -2.00 0.00 0.00 60.65 58.94 2crp h LYS 78 Cb 0.70 -0.18 -0.05 0.00 -0.90 0.00 0.00 32.23 31.80 2crp h LYS 78 CO -0.69 0.82 -0.14 1.96 -2.00 0.00 0.00 179.45 179.40 2crp h GLN 79 N 1.00 -0.13 0.00 0.07 4.20 -0.08 0.38 115.11 120.55 2crp h GLN 79 Ca 0.24 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 2crp h GLN 79 Cb 0.17 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 2crp h GLN 79 CO -0.02 -0.09 -0.05 0.82 -0.67 0.00 0.00 178.83 178.81 2crp h ILE 80 N -0.14 1.00 0.02 2.54 2.04 -1.23 -2.28 117.51 119.45 2crp h ILE 80 Ca 0.12 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.68 2crp h ILE 80 Cb 0.31 1.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2crp h ILE 80 CO -0.29 0.05 -0.44 0.22 0.00 0.00 0.00 178.15 177.69 2crp h TYR 81 N 0.00 0.41 0.00 1.37 5.03 -0.86 0.35 116.97 123.28 2crp h TYR 81 Ca -0.00 -0.24 0.00 0.00 2.58 0.00 0.00 58.73 61.07 2crp h TYR 81 Cb 0.10 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.33 2crp h TYR 81 CO 0.00 1.07 0.00 0.39 -1.32 0.00 0.00 178.16 178.30 2crp n GLU 82 N -4.35 0.05 -0.09 1.82 1.02 0.12 0.22 120.64 119.43 2crp n GLU 82 Ca -0.10 0.30 -0.18 0.00 -0.02 0.00 0.00 57.16 57.15 2crp n GLU 82 Cb 0.61 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 2crp n GLU 82 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2crp n GLU 83 N -1.41 0.40 -0.11 3.49 2.13 -0.89 -4.56 120.64 119.68 2crp n GLU 83 Ca 0.03 0.17 -0.21 0.00 0.66 0.00 0.00 57.16 57.81 2crp n GLU 83 Cb 0.09 -1.18 -0.07 0.00 0.27 0.00 0.00 31.44 30.55 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 -3.93 0.00 0.97 4.31 3.72 0.11 -3.63 117.46 119.01 2crp n PHE 84 Ca -0.32 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.08 2crp n PHE 84 Cb 0.68 -0.77 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 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 -4.29 0.86 -4.05 4.37 2.08 0.51 -4.07 119.36 114.76 2crp n ILE 85 Ca -0.37 -0.02 -0.30 0.00 0.56 0.00 0.00 62.75 62.62 2crp n ILE 85 Cb 0.72 -0.91 -0.06 0.00 -0.75 0.00 0.00 39.64 38.64 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 -0.21 2.88 0.08 0.38 0.74 0.61 -4.62 119.66 119.52 2crp s GLN 86 Ca 0.01 -0.71 -0.31 0.00 0.05 0.00 0.00 55.36 54.40 2crp s GLN 86 Cb 0.01 -2.72 -0.09 0.00 1.10 0.00 0.00 33.01 31.30 2crp s GLN 86 CO 0.00 0.56 1.85 0.99 -0.55 0.00 0.00 175.29 178.14 2crp s THR 87 N -1.42 2.80 -1.28 -0.34 2.01 -1.26 -1.66 115.64 114.48 2crp s THR 87 Ca 0.29 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2crp s THR 87 Cb -0.12 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.31 2crp s THR 87 CO 0.22 -0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.53 2crp n GLU 88 N 6.37 -1.91 -0.81 4.92 1.02 -1.26 -4.90 120.64 124.08 2crp n GLU 88 Ca 0.18 0.72 -0.33 0.00 -0.02 0.00 0.00 57.16 57.71 2crp n GLU 88 Cb 0.40 -5.25 0.12 0.00 -0.02 0.00 0.00 31.44 26.68 2crp n GLU 88 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2crp n ALA 89 N -1.48 -3.20 0.18 0.62 0.00 -0.67 -4.88 120.51 111.08 2crp n ALA 89 Ca -0.16 -0.72 0.04 0.00 0.00 0.00 0.00 53.44 52.60 2crp n ALA 89 Cb 0.59 -1.67 0.35 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.55 0.00 0.00 0.00 0.13 -1.91 -3.17 132.00 125.50 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 0.40 -0.08 1.63 -0.23 0.00 0.00 178.00 180.05 2crp n LYS 91 N -3.80 1.29 -1.50 0.86 5.02 -1.24 -5.04 118.16 113.75 2crp n LYS 91 Ca -0.01 -2.04 -0.40 0.00 -2.02 0.00 0.00 58.31 53.84 2crp n LYS 91 Cb 0.47 -1.20 -0.15 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.98 0.01 -0.25 1.97 2.13 -1.20 -4.74 120.64 117.58 2crp n GLU 92 Ca 0.10 -0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.63 2crp n GLU 92 Cb 0.58 -1.49 0.28 0.00 0.27 0.00 0.00 31.44 31.08 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 7.40 0.00 -3.12 6.31 0.24 -1.26 -4.92 118.33 122.98 2crp n VAL 93 Ca 0.66 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 62.51 2crp n VAL 93 Cb 0.04 -0.94 -0.04 0.00 -1.47 0.00 0.00 33.84 31.42 2crp n VAL 93 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2crp s ASN 94 N -2.99 6.20 -0.22 -1.34 3.84 -1.26 -4.98 114.94 114.19 2crp s ASN 94 Ca 0.64 -1.49 -0.04 0.00 0.21 0.00 0.00 52.86 52.19 2crp s ASN 94 Cb -0.11 -2.30 0.11 0.00 -0.55 0.00 0.00 41.25 38.40 2crp s ASN 94 CO 0.54 -1.10 0.33 0.27 -2.79 0.00 0.00 177.10 174.35 2crp s ILE 95 N 2.60 -0.51 0.99 -5.21 -4.36 -1.26 -4.78 121.20 108.67 2crp s ILE 95 Ca 0.12 -0.02 -0.15 0.00 -0.26 0.00 0.00 60.65 60.34 2crp s ILE 95 Cb -0.24 -0.72 0.03 0.00 1.25 0.00 0.00 42.46 42.78 2crp s ILE 95 CO 0.05 -0.10 0.16 0.47 0.24 0.00 0.00 174.94 175.76 2crp n ASP 96 N 5.35 -2.53 -0.33 4.36 8.00 -1.26 -4.29 116.55 125.85 2crp n ASP 96 Ca -0.05 0.21 0.17 0.00 0.71 0.00 0.00 54.79 55.83 2crp n ASP 96 Cb 0.50 -1.09 0.40 0.00 -0.02 0.00 0.00 41.12 40.90 2crp n ASP 96 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2crp h HIS 97 N -1.61 0.92 -0.01 1.24 -0.00 -2.01 -0.46 115.15 113.22 2crp h HIS 97 Ca -0.46 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 2crp h HIS 97 Cb 1.30 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 28.44 2crp h HIS 97 CO 0.31 0.15 -0.02 0.35 -0.00 0.00 0.00 177.93 178.72 2crp h PHE 98 N 0.60 -0.06 0.23 5.26 3.57 -2.00 0.27 116.94 124.83 2crp h PHE 98 Ca 0.59 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.08 2crp h PHE 98 Cb 1.14 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2crp h PHE 98 CO -0.00 -0.02 -0.11 1.15 -2.23 0.00 0.00 178.31 177.10 2crp h THR 99 N -0.02 0.79 -0.88 4.41 2.02 -1.80 -2.75 112.91 114.68 2crp h THR 99 Ca 0.00 -0.10 0.23 0.00 0.77 0.00 0.00 66.41 67.31 2crp h THR 99 Cb 0.02 0.85 -0.16 0.00 -1.74 0.00 0.00 68.15 67.13 2crp h THR 99 CO -0.02 0.02 0.07 0.50 0.37 0.00 0.00 175.52 176.47 2crp h LYS 100 N -0.36 0.09 -0.55 6.66 3.11 -1.00 0.41 116.57 124.93 2crp h LYS 100 Ca -0.03 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2crp h LYS 100 Cb 0.27 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 2crp h LYS 100 CO 0.05 0.06 0.34 0.22 -2.81 0.00 0.00 179.45 177.31 2crp h ASP 101 N 0.09 0.66 -0.39 4.20 3.58 -0.22 -3.15 116.42 121.19 2crp h ASP 101 Ca 0.53 -0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.96 2crp h ASP 101 Cb 1.03 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.86 2crp h ASP 101 CO -0.77 0.52 -0.36 0.40 -2.88 0.00 0.00 179.24 176.15 2crp h ILE 102 N 0.74 0.00 -0.81 2.25 1.08 0.10 -0.79 117.51 120.08 2crp h ILE 102 Ca 0.20 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.82 2crp h ILE 102 Cb -0.02 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.58 2crp h ILE 102 CO -0.04 0.00 -0.29 0.74 -0.69 0.00 0.00 178.15 177.87 2crp h THR 103 N -0.16 0.12 -0.24 -0.27 2.02 -1.48 -0.07 112.91 112.83 2crp h THR 103 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.30 2crp h THR 103 Cb 0.33 0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 66.78 2crp h THR 103 CO -0.45 0.00 -0.43 0.24 0.37 0.00 0.00 175.52 175.25 2crp h MET 104 N -0.05 -0.41 0.00 6.66 2.86 -1.17 0.61 114.93 123.42 2crp h MET 104 Ca 0.34 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2crp h MET 104 Cb 0.59 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2crp h MET 104 CO -0.85 -0.28 0.00 1.63 1.06 0.00 0.00 176.91 178.48 2crp n LYS 105 N -5.43 0.11 0.00 1.72 5.02 -0.17 0.00 118.16 119.41 2crp n LYS 105 Ca -0.03 0.59 0.13 0.00 -2.02 0.00 0.00 58.31 56.98 2crp n LYS 105 Cb 0.36 -1.84 0.21 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.06 2.59 -0.45 4.39 3.02 0.20 -4.02 115.26 118.92 2crp n ASN 106 Ca -0.01 -1.86 0.11 0.00 -0.03 0.00 0.00 54.58 52.79 2crp n ASN 106 Cb 0.03 0.00 0.44 0.00 -0.61 0.00 0.00 39.78 39.65 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 1.02 1.38 -0.01 3.41 4.77 0.10 -2.48 117.00 125.19 2crp n LEU 107 Ca 0.15 -0.55 -0.21 0.00 -0.03 0.00 0.00 56.01 55.37 2crp n LEU 107 Cb 0.53 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 2crp n LEU 107 CO 0.16 0.28 -0.82 0.55 -1.33 0.00 0.00 177.39 176.23 2crp n VAL 108 N 0.12 1.75 -2.60 4.08 3.14 -1.26 -4.56 118.33 119.00 2crp n VAL 108 Ca 0.17 -0.60 -0.10 0.00 -2.96 0.00 0.00 64.34 60.84 2crp n VAL 108 Cb 0.29 -1.75 0.03 0.00 -1.06 0.00 0.00 33.84 31.36 2crp n VAL 108 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2crp n GLU 109 N -3.56 2.12 -2.18 1.45 -0.58 -1.25 -5.09 120.64 111.55 2crp n GLU 109 Ca -0.33 -3.68 -0.42 0.00 -0.42 0.00 0.00 57.16 52.31 2crp n GLU 109 Cb 1.02 -1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 30.15 2crp n GLU 109 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2crp s PRO 110 N -3.55 4.27 0.03 3.49 0.04 -1.03 -4.91 135.00 133.34 2crp s PRO 110 Ca 0.34 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2crp s PRO 110 Cb 0.38 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2crp s PRO 110 CO -0.02 -0.58 0.00 0.45 0.04 0.00 0.00 177.00 176.89 2crp n SER 111 N 5.27 0.29 0.00 6.66 2.88 -1.26 -4.53 113.62 122.93 2crp n SER 111 Ca 0.13 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2crp n SER 111 Cb 0.43 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 -2.76 0.45 -1.41 2.46 4.77 -1.26 -4.80 117.00 114.45 2crp n LEU 112 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2crp n LEU 112 Cb 0.00 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 2crp n LEU 112 CO 0.00 -0.11 0.72 -1.54 -1.33 0.00 0.00 177.39 175.13 2crp n SER 113 N -2.26 3.49 -0.32 -1.43 3.41 -1.26 -4.42 113.62 110.82 2crp n SER 113 Ca 0.00 -2.64 0.11 0.00 -0.26 0.00 0.00 58.87 56.08 2crp n SER 113 Cb 0.16 -0.63 0.32 0.00 -0.26 0.00 0.00 64.21 63.80 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 1.50 0.77 -1.53 4.04 4.64 -1.89 -2.06 113.55 119.03 2crp h SER 114 Ca 0.14 0.06 -0.63 0.00 -0.47 0.00 0.00 61.79 60.89 2crp h SER 114 Cb 1.58 -0.09 -0.39 0.00 -0.31 0.00 0.00 62.40 63.19 2crp h SER 114 CO 0.40 0.36 -0.32 0.49 -0.87 0.00 0.00 176.83 176.89 2crp n PHE 115 N -4.63 3.26 -0.06 4.77 3.01 -1.26 -4.76 117.46 117.79 2crp n PHE 115 Ca 0.20 -2.87 -0.14 0.00 1.01 0.00 0.00 57.45 55.65 2crp n PHE 115 Cb 0.47 -0.37 -0.12 0.00 -0.01 0.00 0.00 39.48 39.45 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 2.61 -0.00 0.70 4.37 3.58 -1.69 -2.70 116.42 123.29 2crp h ASP 116 Ca 0.37 -0.91 -0.03 0.00 0.42 0.00 0.00 57.03 56.88 2crp h ASP 116 Cb 0.79 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.85 2crp h ASP 116 CO 0.98 0.92 -0.34 -0.03 -2.88 0.00 0.00 179.24 177.90 2crp h MET 117 N -0.93 -0.91 -0.82 0.28 4.05 -1.86 -1.86 114.93 112.89 2crp h MET 117 Ca -0.00 0.06 0.15 0.00 -0.28 0.00 0.00 59.70 59.63 2crp h MET 117 Cb 0.91 0.21 -0.09 0.00 -0.80 0.00 0.00 31.60 31.82 2crp h MET 117 CO 0.00 -0.59 0.39 0.00 0.23 0.00 0.00 176.91 176.94 2crp h ALA 118 N -1.15 1.20 0.76 0.39 0.00 -1.87 0.27 119.26 118.86 2crp h ALA 118 Ca -0.10 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2crp h ALA 118 Cb 0.74 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2crp h ALA 118 CO 0.16 -0.13 -0.44 0.37 0.00 0.00 0.00 179.25 179.21 2crp h GLN 119 N 0.56 -1.07 0.00 0.00 5.75 -1.46 -1.10 115.11 117.79 2crp h GLN 119 Ca 0.45 0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 59.01 2crp h GLN 119 Cb 0.65 0.24 -0.00 0.00 1.07 0.00 0.00 27.48 29.44 2crp h GLN 119 CO -0.38 -0.72 -0.04 1.57 -2.65 0.00 0.00 178.83 176.62 2crp h LYS 120 N -1.12 0.00 0.21 1.69 2.10 -0.85 -0.47 116.57 118.13 2crp h LYS 120 Ca -0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.54 2crp h LYS 120 Cb 0.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 2crp h LYS 120 CO 0.12 0.04 -0.10 -0.09 -2.00 0.00 0.00 179.45 177.42 2crp h ARG 121 N 0.00 -0.27 -0.18 0.07 1.12 0.06 -2.25 114.38 112.93 2crp h ARG 121 Ca -0.00 0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.84 2crp h ARG 121 Cb 0.08 0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.10 2crp h ARG 121 CO 0.00 0.05 -0.07 0.82 -3.11 0.00 0.00 179.97 177.67 2crp h ILE 122 N -0.61 1.30 -0.92 1.20 1.08 -0.89 -2.98 117.51 115.69 2crp h ILE 122 Ca -0.03 -1.10 0.18 0.00 -0.39 0.00 0.00 64.86 63.53 2crp h ILE 122 Cb 0.45 1.66 -0.07 0.00 -3.07 0.00 0.00 36.82 35.78 2crp h ILE 122 CO 0.05 0.33 0.59 -0.74 -0.69 0.00 0.00 178.15 177.69 2crp h HIS 123 N 0.05 0.72 0.00 1.37 -0.00 -1.16 0.51 115.15 116.64 2crp h HIS 123 Ca 0.04 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.40 2crp h HIS 123 Cb 0.54 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 2crp h HIS 123 CO 0.06 0.21 -0.17 0.00 -0.00 0.00 0.00 177.93 178.03 2crp h ALA 124 N 1.61 1.00 0.11 5.26 0.00 -1.27 -2.86 119.26 123.10 2crp h ALA 124 Ca 0.48 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.94 2crp h ALA 124 Cb 0.99 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2crp h ALA 124 CO -0.22 0.21 -1.52 1.25 0.00 0.00 0.00 179.25 178.97 2crp h LEU 125 N 0.00 0.35 0.00 0.00 5.85 0.07 -3.16 115.31 118.42 2crp h LEU 125 Ca -0.00 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2crp h LEU 125 Cb 0.74 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2crp h LEU 125 CO 0.02 1.41 0.00 0.23 -0.34 0.00 0.00 178.44 179.76 2crp n MET 126 N -3.43 0.07 -0.03 1.25 0.00 -0.16 0.51 117.12 115.35 2crp n MET 126 Ca -0.16 0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.65 2crp n MET 126 Cb 1.04 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 32.62 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 -1.45 0.66 0.00 0.03 0.28 -1.09 0.50 120.64 119.57 2crp n GLU 127 Ca 0.07 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.11 2crp n GLU 127 Cb 0.25 -1.62 -0.01 0.00 1.43 0.00 0.00 31.44 31.50 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 -2.63 2.47 -0.01 3.44 2.85 -1.13 -3.98 118.16 119.18 2crp n LYS 128 Ca -0.16 -0.48 -0.01 0.00 -1.05 0.00 0.00 58.31 56.61 2crp n LYS 128 Cb 0.85 -1.01 -0.00 0.00 -0.65 0.00 0.00 35.03 34.22 2crp n LYS 128 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2crp n ASP 129 N -0.40 0.43 -0.06 -5.58 -0.08 0.18 -4.71 116.55 106.33 2crp n ASP 129 Ca 0.03 0.07 -0.08 0.00 -1.51 0.00 0.00 54.79 53.30 2crp n ASP 129 Cb 0.17 -0.33 -0.07 0.00 2.34 0.00 0.00 41.12 43.23 2crp n ASP 129 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2crp h SER 130 N -0.14 0.00 -0.76 1.67 4.64 -1.63 -3.11 113.55 114.22 2crp h SER 130 Ca 0.00 -0.49 0.13 0.00 -0.47 0.00 0.00 61.79 60.96 2crp h SER 130 Cb 0.14 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.10 2crp h SER 130 CO 0.00 0.79 -0.27 -0.11 -0.87 0.00 0.00 176.83 176.37 2crp n LEU 131 N -4.68 -0.43 0.19 5.97 7.94 0.18 0.25 117.00 126.41 2crp n LEU 131 Ca -0.06 1.32 0.04 0.00 -1.11 0.00 0.00 56.01 56.19 2crp n LEU 131 Cb 0.26 -0.33 0.36 0.00 0.53 0.00 0.00 43.42 44.25 2crp n LEU 131 CO 0.17 -1.20 0.70 1.55 -1.11 0.00 0.00 177.39 177.50 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.71 -2.68 132.00 129.69 2crp h PRO 132 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 2crp h PRO 132 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2crp h PRO 132 CO -0.76 0.39 -0.53 0.54 -0.23 0.00 0.00 178.00 177.41 2crp n ARG 133 N -3.77 0.25 -0.07 0.86 1.74 0.69 -3.88 116.66 112.47 2crp n ARG 133 Ca -0.01 0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 57.04 2crp n ARG 133 Cb 0.46 -1.67 -0.09 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.00 -0.48 -1.55 3.57 0.23 -3.28 116.94 115.43 2crp h PHE 134 Ca 0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 2crp h PHE 134 Cb 0.71 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2crp h PHE 134 CO 0.00 0.81 0.42 -0.39 -2.23 0.00 0.00 178.31 176.92 2crp h VAL 135 N -1.00 0.53 -0.11 1.41 -1.51 -1.65 -0.97 116.25 112.95 2crp h VAL 135 Ca -0.06 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.38 2crp h VAL 135 Cb 0.81 0.69 -0.00 0.00 -2.13 0.00 0.00 31.29 30.66 2crp h VAL 135 CO -0.03 0.00 -0.05 0.03 -1.23 0.00 0.00 177.57 176.29 2crp h ARG 136 N 0.00 0.22 -6.80 5.19 2.47 -1.67 -3.39 114.38 110.40 2crp h ARG 136 Ca 0.23 -0.09 -0.53 0.00 -1.26 0.00 0.00 59.98 58.33 2crp h ARG 136 Cb 1.06 -0.01 0.08 0.00 -1.65 0.00 0.00 29.97 29.46 2crp h ARG 136 CO -0.00 0.56 0.85 -1.54 0.56 0.00 0.00 179.97 180.40 2crp s SER 137 N -5.85 6.44 0.37 7.04 1.04 -0.37 -4.82 113.70 117.55 2crp s SER 137 Ca -0.15 2.89 0.27 0.00 0.48 0.00 0.00 55.95 59.45 2crp s SER 137 Cb 0.04 -2.63 1.24 0.00 0.10 0.00 0.00 66.02 64.77 2crp s SER 137 CO 0.72 -0.86 1.29 -0.62 0.98 0.00 0.00 173.24 174.75 2crp n GLU 138 N 2.08 -0.03 -0.23 4.02 -0.58 -1.26 -0.31 120.64 124.33 2crp n GLU 138 Ca 0.07 1.03 0.17 0.00 -0.42 0.00 0.00 57.16 58.02 2crp n GLU 138 Cb 0.38 -2.05 0.33 0.00 -0.57 0.00 0.00 31.44 29.53 2crp n GLU 138 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2crp n PHE 139 N -4.32 0.67 -0.07 -0.32 3.72 -1.26 0.35 117.46 116.22 2crp n PHE 139 Ca 0.34 0.84 -0.18 0.00 -0.05 0.00 0.00 57.45 58.40 2crp n PHE 139 Cb 1.31 -1.16 -0.13 0.00 -0.94 0.00 0.00 39.48 38.56 2crp n PHE 139 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2crp h TYR 140 N 0.00 0.06 -1.50 1.38 3.20 -0.84 -3.28 116.97 115.98 2crp h TYR 140 Ca 0.53 -0.04 0.44 0.00 3.14 0.00 0.00 58.73 62.79 2crp h TYR 140 Cb 1.29 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.49 2crp h TYR 140 CO -0.15 1.23 1.07 1.96 -1.64 0.00 0.00 178.16 180.63 2crp h GLN 141 N -0.92 0.02 0.04 1.82 1.08 -0.18 1.45 115.11 118.42 2crp h GLN 141 Ca -0.16 -0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.82 2crp h GLN 141 Cb 1.20 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 2crp h GLN 141 CO -0.07 0.01 -1.04 1.05 -0.95 0.00 0.00 178.83 177.84 2crp h GLU 142 N 0.02 0.13 -0.38 1.46 4.11 -1.04 0.39 114.58 119.27 2crp h GLU 142 Ca 0.73 -0.20 -0.06 0.00 0.07 0.00 0.00 59.36 59.90 2crp h GLU 142 Cb 2.86 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 32.16 2crp h GLU 142 CO -0.04 1.05 -0.00 -0.07 0.07 0.00 0.00 179.01 180.02 2crp h LEU 143 N 0.05 0.56 0.03 3.06 3.38 0.19 0.54 115.31 123.12 2crp h LEU 143 Ca -0.06 -0.11 -0.39 0.00 0.09 0.00 0.00 57.88 57.41 2crp h LEU 143 Cb 1.75 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 42.30 2crp h LEU 143 CO 0.15 0.63 -2.34 2.30 0.09 0.00 0.00 178.44 179.28 2crp n ILE 144 N -4.26 1.56 -0.02 1.22 -5.35 -0.91 -4.64 119.36 106.96 2crp n ILE 144 Ca 0.02 -0.55 -0.08 0.00 -0.27 0.00 0.00 62.75 61.87 2crp n ILE 144 Cb 0.26 -1.57 -0.06 0.00 -1.74 0.00 0.00 39.64 36.53 2crp n ILE 144 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2crp h SER 145 N -0.14 -0.06 -0.59 7.28 0.87 -0.25 -3.14 113.55 117.52 2crp h SER 145 Ca -0.55 -0.42 0.03 0.00 -1.23 0.00 0.00 61.79 59.62 2crp h SER 145 Cb 1.87 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.84 2crp h SER 145 CO -0.09 0.62 -0.04 0.61 -0.53 0.00 0.00 176.83 177.39 2crp n GLY 146 N 1.40 -0.45 0.13 5.77 0.00 0.19 0.64 105.19 112.87 2crp n GLY 146 Ca -0.05 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 2crp n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crp h PRO 147 N 0.00 0.32 -1.69 1.61 0.13 -1.96 -3.20 132.00 127.21 2crp h PRO 147 Ca 0.00 -0.17 -0.26 0.00 -0.87 0.00 0.00 66.00 64.70 2crp h PRO 147 Cb 0.11 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.14 2crp h PRO 147 CO 0.00 0.71 0.29 0.43 -0.23 0.00 0.00 178.00 179.20 2crp n SER 148 N -4.59 6.17 -3.71 1.44 7.64 -1.26 -4.81 113.62 114.51 2crp n SER 148 Ca -0.06 -2.91 -0.30 0.00 1.01 0.00 0.00 58.87 56.61 2crp n SER 148 Cb 0.35 -1.11 -0.06 0.00 -1.01 0.00 0.00 64.21 62.38 2crp n SER 148 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2crp n SER 149 N 0.75 -1.02 0.00 6.43 2.88 -0.72 -5.08 113.62 116.85 2crp n SER 149 Ca 0.26 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 2crp n SER 149 Cb 0.57 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2crp n SER 149 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42