#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr4 n SER 2 N 0.00 2.27 -4.58 1.61 7.64 -1.26 -4.83 113.62 114.47 2cr4 n SER 2 Ca 0.00 0.29 -0.40 0.00 1.01 0.00 0.00 58.87 59.77 2cr4 n SER 2 Cb 0.00 -1.33 -0.01 0.00 -1.01 0.00 0.00 64.21 61.86 2cr4 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr4 s SER 3 N 7.96 6.52 0.08 6.43 0.01 -1.26 -4.95 113.70 128.49 2cr4 s SER 3 Ca 1.08 -2.23 0.01 0.00 1.31 0.00 0.00 55.95 56.13 2cr4 s SER 3 Cb -0.73 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 62.88 2cr4 s SER 3 CO 0.45 -1.50 0.18 -0.83 0.41 0.00 0.00 173.24 171.94 2cr4 s GLY 4 N 4.67 2.06 -0.17 3.44 0.00 -1.26 -5.10 107.32 110.96 2cr4 s GLY 4 Ca 0.56 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 44.31 2cr4 s GLY 4 CO 0.07 -0.91 0.24 -0.56 0.00 0.00 0.00 173.10 171.94 2cr4 s SER 5 N -2.59 0.89 0.26 1.64 0.01 -1.26 -5.03 113.70 107.61 2cr4 s SER 5 Ca 0.33 0.13 -0.06 0.00 1.31 0.00 0.00 55.95 57.66 2cr4 s SER 5 Cb -0.12 0.54 0.47 0.00 0.21 0.00 0.00 66.02 67.12 2cr4 s SER 5 CO 0.26 -0.29 1.61 -1.28 0.41 0.00 0.00 173.24 173.96 2cr4 h SER 6 N 8.30 -0.47 -0.97 2.44 0.87 -2.04 -3.47 113.55 118.20 2cr4 h SER 6 Ca -0.16 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2cr4 h SER 6 Cb 1.14 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 2cr4 h SER 6 CO 0.22 -0.23 0.00 0.61 -0.53 0.00 0.00 176.83 176.90 2cr4 n GLY 7 N -1.46 0.78 3.20 5.77 0.00 -1.26 -4.88 105.19 107.35 2cr4 n GLY 7 Ca 0.15 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 2cr4 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cr4 s GLU 8 N -1.22 2.97 -1.46 1.61 0.41 -1.26 -4.74 118.70 115.02 2cr4 s GLU 8 Ca 0.00 -2.40 -0.10 0.00 -0.41 0.00 0.00 54.97 52.06 2cr4 s GLU 8 Cb 0.00 -4.04 0.01 0.00 -1.78 0.00 0.00 34.13 28.32 2cr4 s GLU 8 CO 0.00 -1.22 0.20 -0.25 -0.49 0.00 0.00 175.26 173.49 2cr4 n ASP 9 N 3.87 -0.47 -1.63 -0.19 8.00 -1.26 -4.75 116.55 120.12 2cr4 n ASP 9 Ca 0.08 -1.28 -0.04 0.00 0.71 0.00 0.00 54.79 54.25 2cr4 n ASP 9 Cb 0.42 -1.62 -0.01 0.00 -0.02 0.00 0.00 41.12 39.88 2cr4 n ASP 9 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2cr4 n TYR 10 N -4.73 0.27 -0.09 1.24 4.02 -1.26 -3.80 117.16 112.81 2cr4 n TYR 10 Ca -0.27 -1.22 -0.07 0.00 -0.01 0.00 0.00 57.90 56.33 2cr4 n TYR 10 Cb 0.66 -0.70 -0.16 0.00 -0.02 0.00 0.00 39.34 39.13 2cr4 n TYR 10 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2cr4 n GLU 11 N 1.41 0.72 -0.00 -0.72 0.28 -1.26 -4.20 120.64 116.85 2cr4 n GLU 11 Ca 0.10 -0.03 0.10 0.00 -0.16 0.00 0.00 57.16 57.16 2cr4 n GLU 11 Cb 0.55 -1.51 0.58 0.00 1.43 0.00 0.00 31.44 32.49 2cr4 n GLU 11 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2cr4 n LYS 12 N -2.68 1.05 -2.13 3.44 4.76 -1.25 -4.87 118.16 116.49 2cr4 n LYS 12 Ca -0.29 -0.08 -0.34 0.00 -2.87 0.00 0.00 58.31 54.73 2cr4 n LYS 12 Cb 1.08 -1.32 0.01 0.00 -1.84 0.00 0.00 35.03 32.96 2cr4 n LYS 12 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2cr4 s VAL 13 N -1.99 3.23 -0.02 -0.18 -7.23 -1.26 -4.99 120.40 107.97 2cr4 s VAL 13 Ca 0.30 0.71 -0.24 0.00 -1.81 0.00 0.00 61.98 60.93 2cr4 s VAL 13 Cb 0.14 -3.25 -0.18 0.00 0.56 0.00 0.00 36.38 33.65 2cr4 s VAL 13 CO 0.23 -0.22 1.16 1.55 -0.31 0.00 0.00 175.10 177.51 2cr4 h PRO 14 N 0.87 -0.16 -3.99 4.82 0.13 -1.95 -3.41 132.00 128.32 2cr4 h PRO 14 Ca -0.49 0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.02 2cr4 h PRO 14 Cb 1.25 0.04 -0.40 0.00 0.13 0.00 0.00 31.00 32.02 2cr4 h PRO 14 CO 0.56 0.27 -0.72 -0.51 -0.23 0.00 0.00 178.00 177.37 2cr4 s LEU 15 N -9.25 3.74 0.78 1.56 2.01 -1.26 -4.87 118.68 111.40 2cr4 s LEU 15 Ca -0.15 -2.18 -0.11 0.00 0.01 0.00 0.00 54.13 51.71 2cr4 s LEU 15 Cb 0.01 -1.34 0.06 0.00 0.01 0.00 0.00 46.19 44.94 2cr4 s LEU 15 CO 0.59 -0.36 1.09 -2.16 1.01 0.00 0.00 176.35 176.52 2cr4 s PRO 16 N 0.88 2.16 -0.10 1.29 0.04 -1.26 -4.91 135.00 133.10 2cr4 s PRO 16 Ca 0.12 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.31 2cr4 s PRO 16 Cb -0.20 -1.89 0.12 0.00 0.04 0.00 0.00 34.50 32.57 2cr4 s PRO 16 CO -0.11 -1.70 1.39 0.09 0.04 0.00 0.00 177.00 176.71 2cr4 n ASN 17 N -3.56 3.82 -0.05 6.66 3.02 -1.26 -3.66 115.26 120.22 2cr4 n ASN 17 Ca 0.09 -2.41 -0.08 0.00 -0.03 0.00 0.00 54.58 52.15 2cr4 n ASN 17 Cb 0.53 -0.70 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 2cr4 n ASN 17 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2cr4 n SER 18 N 0.38 2.88 -0.18 6.41 7.64 -1.26 -4.68 113.62 124.82 2cr4 n SER 18 Ca 0.12 -0.03 -0.07 0.00 1.01 0.00 0.00 58.87 59.89 2cr4 n SER 18 Cb 0.69 -0.19 0.02 0.00 -1.01 0.00 0.00 64.21 63.72 2cr4 n SER 18 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2cr4 h VAL 19 N -0.05 1.17 -1.91 0.44 -1.51 -1.57 -3.40 116.25 109.41 2cr4 h VAL 19 Ca -0.24 -0.43 -0.50 0.00 -1.23 0.00 0.00 66.70 64.30 2cr4 h VAL 19 Cb 1.35 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 2cr4 h VAL 19 CO -0.05 0.18 1.46 -0.36 -1.23 0.00 0.00 177.57 177.57 2cr4 s PHE 20 N -5.87 1.42 0.11 5.19 0.40 -1.25 -2.12 117.98 115.84 2cr4 s PHE 20 Ca -0.13 1.07 0.00 0.00 -0.60 0.00 0.00 56.93 57.27 2cr4 s PHE 20 Cb 0.12 -3.88 -0.04 0.00 0.51 0.00 0.00 43.02 39.72 2cr4 s PHE 20 CO 0.76 -2.56 0.26 0.54 0.70 0.00 0.00 175.22 174.92 2cr4 s VAL 21 N 10.05 5.33 -0.36 -0.44 0.11 -0.35 -4.98 120.40 129.76 2cr4 s VAL 21 Ca 0.82 -0.43 0.05 0.00 -2.93 0.00 0.00 61.98 59.49 2cr4 s VAL 21 Cb -0.16 -3.67 0.55 0.00 -1.53 0.00 0.00 36.38 31.56 2cr4 s VAL 21 CO 0.25 0.04 1.67 -3.20 -3.33 0.00 0.00 175.10 170.52 2cr4 n ASN 22 N -0.05 3.83 -4.43 3.54 5.15 -1.26 -3.95 115.26 118.09 2cr4 n ASN 22 Ca -0.05 -3.14 -0.37 0.00 -0.60 0.00 0.00 54.58 50.42 2cr4 n ASN 22 Cb 0.52 -0.74 -0.13 0.00 -0.53 0.00 0.00 39.78 38.91 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2cr4 s THR 23 N -2.53 4.25 -0.45 -0.44 -1.32 -1.26 -4.96 115.64 108.93 2cr4 s THR 23 Ca 0.44 -0.25 0.03 0.00 -1.21 0.00 0.00 61.69 60.70 2cr4 s THR 23 Cb 0.36 -3.02 0.59 0.00 -1.51 0.00 0.00 72.50 68.93 2cr4 s THR 23 CO 0.09 0.30 1.88 0.35 -2.21 0.00 0.00 174.62 175.04 2cr4 n THR 24 N 4.92 3.12 -3.82 5.08 -2.24 -1.26 -3.79 114.28 116.29 2cr4 n THR 24 Ca -0.16 -1.93 -0.30 0.00 -2.27 0.00 0.00 64.05 59.39 2cr4 n THR 24 Cb 0.51 -0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 67.98 2cr4 n THR 24 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cr4 s GLU 25 N -3.14 1.08 0.29 -0.78 0.41 -1.26 -4.80 118.70 110.50 2cr4 s GLU 25 Ca 0.54 -1.52 -0.05 0.00 -0.41 0.00 0.00 54.97 53.53 2cr4 s GLU 25 Cb 0.45 -2.45 0.55 0.00 -1.78 0.00 0.00 34.13 30.89 2cr4 s GLU 25 CO 0.09 -1.01 1.57 0.77 -0.49 0.00 0.00 175.26 176.18 2cr4 h SER 26 N 7.66 -0.77 -0.92 -0.19 0.02 -1.95 1.02 113.55 118.43 2cr4 h SER 26 Ca -0.09 0.29 0.15 0.00 -0.84 0.00 0.00 61.79 61.31 2cr4 h SER 26 Cb 1.00 0.57 -0.10 0.00 0.14 0.00 0.00 62.40 64.01 2cr4 h SER 26 CO 0.50 -0.33 0.52 0.00 -1.14 0.00 0.00 176.83 176.37 2cr4 h GLU 28 N 0.73 0.20 -0.58 0.00 4.57 0.65 -3.00 114.58 117.16 2cr4 h GLU 28 Ca 0.50 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.76 2cr4 h GLU 28 Cb 0.69 -0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.13 2cr4 h GLU 28 CO -0.35 0.20 -0.37 0.28 -1.18 0.00 0.00 179.01 177.59 2cr4 h VAL 29 N 0.15 0.14 -0.86 0.32 2.07 -0.78 0.20 116.25 117.48 2cr4 h VAL 29 Ca 0.05 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.73 2cr4 h VAL 29 Cb 0.06 0.14 -0.10 0.00 -1.52 0.00 0.00 31.29 29.87 2cr4 h VAL 29 CO -0.01 0.00 0.44 -0.08 0.02 0.00 0.00 177.57 177.95 2cr4 h GLU 30 N -0.19 0.59 -0.28 1.57 4.81 -1.41 -0.86 114.58 118.80 2cr4 h GLU 30 Ca 0.21 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2cr4 h GLU 30 Cb 0.56 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2cr4 h GLU 30 CO -0.68 0.39 0.10 -0.09 -0.73 0.00 0.00 179.01 178.01 2cr4 h ARG 31 N 0.61 0.43 -0.59 1.92 2.43 -0.56 -2.46 114.38 116.16 2cr4 h ARG 31 Ca 0.48 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.61 2cr4 h ARG 31 Cb 0.71 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 2cr4 h ARG 31 CO -0.38 0.47 0.32 -0.07 -1.51 0.00 0.00 179.97 178.80 2cr4 h LEU 32 N 0.30 0.47 0.67 3.80 3.38 0.29 0.25 115.31 124.48 2cr4 h LEU 32 Ca 0.09 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2cr4 h LEU 32 Cb 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2cr4 h LEU 32 CO -0.01 0.32 -0.47 -0.26 0.09 0.00 0.00 178.44 178.11 2cr4 h PHE 33 N 0.61 -1.26 0.00 1.13 -1.00 -1.06 0.15 116.94 115.50 2cr4 h PHE 33 Ca 0.26 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.03 2cr4 h PHE 33 Cb 0.14 0.46 0.00 0.00 3.61 0.00 0.00 35.95 40.16 2cr4 h PHE 33 CO -0.09 -0.68 0.00 1.63 -1.61 0.00 0.00 178.31 177.56 2cr4 n LYS 34 N -5.59 0.01 -0.07 1.51 5.02 -0.94 -3.07 118.16 115.03 2cr4 n LYS 34 Ca -0.14 0.33 -0.07 0.00 -2.02 0.00 0.00 58.31 56.41 2cr4 n LYS 34 Cb 0.47 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 2cr4 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cr4 h ALA 35 N 2.36 0.04 -0.63 7.82 0.00 0.59 -3.35 119.26 126.10 2cr4 h ALA 35 Ca 0.00 -0.42 0.18 0.00 0.00 0.00 0.00 54.91 54.67 2cr4 h ALA 35 Cb 0.19 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2cr4 h ALA 35 CO 0.00 0.26 0.70 0.00 0.00 0.00 0.00 179.25 180.22 2cr4 h THR 36 N -1.00 0.24 -3.65 0.00 1.03 -0.67 -3.40 112.91 105.45 2cr4 h THR 36 Ca -0.05 0.00 -0.51 0.00 -0.01 0.00 0.00 66.41 65.84 2cr4 h THR 36 Cb 0.52 0.43 0.01 0.00 -1.07 0.00 0.00 68.15 68.05 2cr4 h THR 36 CO -0.03 0.00 0.50 -0.94 -0.01 0.00 0.00 175.52 175.04 2cr4 s SER 37 N -4.67 7.21 0.21 0.00 1.04 -1.22 -4.95 113.70 111.32 2cr4 s SER 37 Ca -0.04 2.21 -0.03 0.00 0.48 0.00 0.00 55.95 58.58 2cr4 s SER 37 Cb 0.15 -2.62 0.16 0.00 0.10 0.00 0.00 66.02 63.82 2cr4 s SER 37 CO 0.52 -0.23 1.56 1.55 0.98 0.00 0.00 173.24 177.63 2cr4 h PRO 38 N 4.55 0.62 0.00 4.02 0.13 -1.89 -3.19 132.00 136.24 2cr4 h PRO 38 Ca -0.45 -0.33 -0.21 0.00 -0.87 0.00 0.00 66.00 64.14 2cr4 h PRO 38 Cb 1.21 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2cr4 h PRO 38 CO 0.70 0.92 -1.36 0.00 -0.23 0.00 0.00 178.00 178.04 2cr4 h ARG 39 N 0.50 0.00 0.00 0.86 3.08 -1.92 -3.48 114.38 113.42 2cr4 h ARG 39 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2cr4 h ARG 39 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2cr4 h ARG 39 CO 0.08 0.48 0.00 0.41 -1.07 0.00 0.00 179.97 179.88 2cr4 n GLY 40 N 1.43 1.79 2.99 0.04 0.00 -1.20 -5.11 105.19 105.11 2cr4 n GLY 40 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2cr4 n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cr4 s GLU 41 N -0.60 0.27 0.69 1.61 -1.05 -1.26 -4.89 118.70 113.46 2cr4 s GLU 41 Ca 0.00 0.64 -0.14 0.00 -0.15 0.00 0.00 54.97 55.32 2cr4 s GLU 41 Cb 0.00 -0.32 0.01 0.00 -0.44 0.00 0.00 34.13 33.39 2cr4 s GLU 41 CO 0.00 -0.47 1.11 -1.25 0.95 0.00 0.00 175.26 175.59 2cr4 s PRO 42 N 2.49 2.66 0.07 -4.83 0.04 -1.26 -4.89 135.00 129.29 2cr4 s PRO 42 Ca 0.06 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.32 2cr4 s PRO 42 Cb -0.14 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 2cr4 s PRO 42 CO -0.13 -1.35 0.43 -0.65 0.04 0.00 0.00 177.00 175.34 2cr4 s GLN 43 N -4.29 3.83 0.17 4.56 1.11 -1.26 -4.99 119.66 118.80 2cr4 s GLN 43 Ca 0.66 0.29 -0.33 0.00 0.01 0.00 0.00 55.36 55.98 2cr4 s GLN 43 Cb -0.20 -3.03 -0.15 0.00 -1.01 0.00 0.00 33.01 28.62 2cr4 s GLN 43 CO 0.45 0.57 1.35 -3.47 0.01 0.00 0.00 175.29 174.21 2cr4 n ASP 44 N 1.09 2.16 0.00 5.90 -0.08 -1.26 -1.76 116.55 122.59 2cr4 n ASP 44 Ca -0.09 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.32 2cr4 n ASP 44 Cb 0.52 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 42.67 2cr4 n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cr4 n GLY 45 N 2.43 3.07 3.49 0.27 0.00 -1.21 -4.55 105.19 108.69 2cr4 n GLY 45 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2cr4 n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cr4 n LEU 46 N 0.00 1.06 -4.51 0.99 7.94 -0.72 -3.61 117.00 118.14 2cr4 n LEU 46 Ca 0.00 0.05 -0.24 0.00 -1.11 0.00 0.00 56.01 54.71 2cr4 n LEU 46 Cb 0.00 -1.14 -0.09 0.00 0.53 0.00 0.00 43.42 42.72 2cr4 n LEU 46 CO 0.00 -0.96 -0.45 -0.72 -1.11 0.00 0.00 177.39 174.15 2cr4 s TYR 47 N 9.51 2.39 0.20 1.96 1.13 -0.89 0.28 117.35 131.93 2cr4 s TYR 47 Ca 1.22 -0.30 -0.06 0.00 -1.41 0.00 0.00 57.07 56.51 2cr4 s TYR 47 Cb -0.94 -1.04 0.02 0.00 -1.10 0.00 0.00 41.96 38.90 2cr4 s TYR 47 CO 0.44 0.69 0.37 0.00 -2.51 0.00 0.00 175.55 174.54 2cr4 s ILE 49 N -2.56 0.08 0.52 0.00 1.01 -0.90 -1.84 121.20 117.50 2cr4 s ILE 49 Ca 0.10 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.44 2cr4 s ILE 49 Cb -0.02 -0.78 0.06 0.00 0.01 0.00 0.00 42.46 41.72 2cr4 s ILE 49 CO 0.07 -0.36 0.69 0.00 0.00 0.00 0.00 174.94 175.34 2cr4 s ARG 50 N 2.06 2.49 -0.04 2.79 1.70 -1.22 -1.21 118.95 125.52 2cr4 s ARG 50 Ca 0.03 -1.52 -0.14 0.00 -0.47 0.00 0.00 55.73 53.63 2cr4 s ARG 50 Cb -0.16 -2.65 -0.05 0.00 -0.57 0.00 0.00 34.95 31.51 2cr4 s ARG 50 CO -0.15 -0.63 0.37 -0.80 -1.08 0.00 0.00 175.30 173.01 2cr4 s ASN 51 N -4.53 6.71 -0.87 -2.89 0.01 -1.25 -3.29 114.94 108.84 2cr4 s ASN 51 Ca 0.58 0.85 -0.14 0.00 -0.71 0.00 0.00 52.86 53.44 2cr4 s ASN 51 Cb -0.07 -2.22 0.22 0.00 0.41 0.00 0.00 41.25 39.59 2cr4 s ASN 51 CO 0.36 0.29 0.83 -0.55 -1.51 0.00 0.00 177.10 176.52 2cr4 s SER 52 N -0.81 6.82 -0.89 -1.22 0.15 -1.18 -4.43 113.70 112.14 2cr4 s SER 52 Ca 0.22 -2.76 -0.05 0.00 0.70 0.00 0.00 55.95 54.06 2cr4 s SER 52 Cb -0.16 -2.22 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2cr4 s SER 52 CO 0.11 -0.57 0.78 -0.24 1.20 0.00 0.00 173.24 174.52 2cr4 n SER 53 N 4.00 -4.63 -3.62 5.45 2.88 -1.26 -3.07 113.62 113.36 2cr4 n SER 53 Ca 0.16 -0.36 -0.29 0.00 -1.33 0.00 0.00 58.87 57.05 2cr4 n SER 53 Cb 0.46 -3.52 -0.06 0.00 -0.75 0.00 0.00 64.21 60.34 2cr4 n SER 53 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2cr4 n THR 54 N -4.06 -0.08 -4.35 2.46 -2.24 -1.26 -4.85 114.28 99.90 2cr4 n THR 54 Ca -0.01 -0.04 -0.18 0.00 -2.27 0.00 0.00 64.05 61.55 2cr4 n THR 54 Cb 0.55 -0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 68.29 2cr4 n THR 54 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2cr4 s LYS 55 N -5.40 1.45 -0.39 -0.78 1.02 -1.17 -5.07 119.74 109.39 2cr4 s LYS 55 Ca 0.51 -1.78 -0.34 0.00 0.02 0.00 0.00 55.97 54.38 2cr4 s LYS 55 Cb -0.30 -0.46 -0.12 0.00 -0.52 0.00 0.00 37.83 36.43 2cr4 s LYS 55 CO 0.71 -0.24 2.23 0.45 -0.92 0.00 0.00 175.35 177.59 2cr4 n SER 56 N -0.51 2.04 0.00 2.83 2.88 -1.26 -4.57 113.62 115.03 2cr4 n SER 56 Ca -0.01 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2cr4 n SER 56 Cb 0.66 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 2cr4 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr4 n GLY 57 N 6.52 4.35 3.71 0.46 0.00 -1.26 -5.04 105.19 113.92 2cr4 n GLY 57 Ca 0.42 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 2cr4 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr4 s LYS 58 N -4.86 2.10 -0.18 1.61 -0.14 -1.26 -3.10 119.74 113.91 2cr4 s LYS 58 Ca 0.00 -2.23 -0.04 0.00 -1.36 0.00 0.00 55.97 52.34 2cr4 s LYS 58 Cb 0.00 -1.63 0.08 0.00 -1.68 0.00 0.00 37.83 34.61 2cr4 s LYS 58 CO 0.00 -0.23 0.20 0.08 -0.76 0.00 0.00 175.35 174.64 2cr4 s VAL 59 N -2.79 -0.29 -0.24 3.17 1.01 -1.21 -0.26 120.40 119.79 2cr4 s VAL 59 Ca 0.21 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2cr4 s VAL 59 Cb 0.05 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2cr4 s VAL 59 CO 0.11 -0.15 1.70 -0.22 0.00 0.00 0.00 175.10 176.54 2cr4 s LEU 60 N 2.30 3.79 -0.32 3.92 2.96 0.30 -3.43 118.68 128.20 2cr4 s LEU 60 Ca 0.05 1.57 -0.10 0.00 -0.22 0.00 0.00 54.13 55.44 2cr4 s LEU 60 Cb -0.15 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.01 2cr4 s LEU 60 CO -0.11 -1.40 0.16 -0.69 -1.32 0.00 0.00 176.35 173.00 2cr4 s VAL 61 N 5.74 4.60 0.08 1.68 1.01 -0.76 0.24 120.40 132.98 2cr4 s VAL 61 Ca 0.75 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.29 2cr4 s VAL 61 Cb -0.25 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2cr4 s VAL 61 CO 0.31 0.02 0.00 -0.69 0.00 0.00 0.00 175.10 174.74 2cr4 s VAL 62 N 1.60 4.05 -0.26 2.92 1.01 -1.19 -0.86 120.40 127.67 2cr4 s VAL 62 Ca 0.04 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 2cr4 s VAL 62 Cb -0.17 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2cr4 s VAL 62 CO 0.06 0.15 0.53 0.86 0.00 0.00 0.00 175.10 176.70 2cr4 s TRP 63 N -1.29 3.27 -1.08 5.22 -0.11 0.14 -1.15 118.94 123.95 2cr4 s TRP 63 Ca 0.25 0.66 -0.13 0.00 1.22 0.00 0.00 56.10 58.10 2cr4 s TRP 63 Cb -0.12 -2.74 0.20 0.00 -1.50 0.00 0.00 33.47 29.32 2cr4 s TRP 63 CO 0.17 -0.29 1.20 -0.51 -4.62 0.00 0.00 176.95 172.90 2cr4 s ASP 64 N 1.54 7.02 0.31 5.86 1.11 0.13 -3.35 116.67 129.28 2cr4 s ASP 64 Ca 0.22 -2.94 0.07 0.00 0.18 0.00 0.00 52.55 50.07 2cr4 s ASP 64 Cb -0.16 -2.32 0.79 0.00 1.07 0.00 0.00 42.92 42.30 2cr4 s ASP 64 CO 0.09 -0.66 1.75 -0.08 1.18 0.00 0.00 175.17 177.45 2cr4 h GLU 65 N 7.42 0.62 -0.15 8.23 4.57 -1.91 1.65 114.58 135.01 2cr4 h GLU 65 Ca 0.22 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 2cr4 h GLU 65 Cb 0.92 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2cr4 h GLU 65 CO 1.09 0.41 0.10 1.79 -1.18 0.00 0.00 179.01 181.22 2cr4 h THR 66 N 0.64 0.99 0.00 0.32 1.35 -1.94 -1.98 112.91 112.29 2cr4 h THR 66 Ca 0.60 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.42 2cr4 h THR 66 Cb 1.04 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2cr4 h THR 66 CO -0.44 0.02 -0.88 -0.24 -0.25 0.00 0.00 175.52 173.73 2cr4 n SER 67 N -4.51 0.82 -1.66 5.36 2.88 0.15 -4.98 113.62 111.68 2cr4 n SER 67 Ca -0.00 -0.76 -0.17 0.00 -1.33 0.00 0.00 58.87 56.61 2cr4 n SER 67 Cb 0.14 1.10 -0.04 0.00 -0.75 0.00 0.00 64.21 64.66 2cr4 n SER 67 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2cr4 n ASN 68 N -1.47 -5.08 -3.88 -3.46 2.85 0.51 -4.97 115.26 99.76 2cr4 n ASN 68 Ca 0.02 0.20 -0.19 0.00 -0.11 0.00 0.00 54.58 54.51 2cr4 n ASN 68 Cb 0.27 -4.14 -0.09 0.00 1.24 0.00 0.00 39.78 37.06 2cr4 n ASN 68 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2cr4 s LYS 69 N -4.18 1.63 0.17 1.20 -2.85 -1.10 -4.98 119.74 109.63 2cr4 s LYS 69 Ca 0.00 -1.94 0.06 0.00 -1.00 0.00 0.00 55.97 53.10 2cr4 s LYS 69 Cb 0.00 -0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.71 2cr4 s LYS 69 CO 0.00 -0.49 0.05 0.14 0.10 0.00 0.00 175.35 175.15 2cr4 s VAL 70 N -3.58 4.01 0.37 1.79 -7.23 -1.26 0.17 120.40 114.67 2cr4 s VAL 70 Ca 0.36 -1.31 0.07 0.00 -1.81 0.00 0.00 61.98 59.30 2cr4 s VAL 70 Cb 0.04 -3.03 -0.07 0.00 0.56 0.00 0.00 36.38 33.88 2cr4 s VAL 70 CO 0.19 -0.12 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.71 2cr4 s ARG 71 N -3.03 1.85 -0.12 4.82 1.81 -0.30 -4.92 118.95 119.06 2cr4 s ARG 71 Ca 0.29 -2.01 0.01 0.00 -1.72 0.00 0.00 55.73 52.30 2cr4 s ARG 71 Cb -0.09 -1.55 0.02 0.00 -0.45 0.00 0.00 34.95 32.87 2cr4 s ARG 71 CO 0.20 0.01 -0.14 -0.80 -0.68 0.00 0.00 175.30 173.89 2cr4 s ASN 72 N -3.64 2.46 -0.48 0.23 -0.87 -1.26 -3.18 114.94 108.20 2cr4 s ASN 72 Ca 0.34 -0.43 0.03 0.00 -1.57 0.00 0.00 52.86 51.23 2cr4 s ASN 72 Cb 0.07 -1.08 0.13 0.00 -0.02 0.00 0.00 41.25 40.35 2cr4 s ASN 72 CO 0.17 -0.01 0.25 -0.31 -2.57 0.00 0.00 177.10 174.62 2cr4 s TYR 73 N 1.17 2.61 0.31 2.20 2.02 0.14 -4.94 117.35 120.85 2cr4 s TYR 73 Ca -0.03 -2.82 -0.29 0.00 -0.37 0.00 0.00 57.07 53.57 2cr4 s TYR 73 Cb -0.14 -2.38 -0.13 0.00 -0.40 0.00 0.00 41.96 38.91 2cr4 s TYR 73 CO -0.04 -0.76 1.23 2.89 -1.57 0.00 0.00 175.55 177.30 2cr4 n ARG 74 N 3.32 1.89 -3.74 -0.62 0.00 -1.26 0.11 116.66 116.36 2cr4 n ARG 74 Ca 0.07 0.66 -0.38 0.00 -0.00 0.00 0.00 57.85 58.20 2cr4 n ARG 74 Cb 0.33 -2.20 -0.12 0.00 -0.00 0.00 0.00 32.46 30.47 2cr4 n ARG 74 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2cr4 s ILE 75 N -0.90 3.88 0.70 8.89 1.01 0.63 -4.64 121.20 130.77 2cr4 s ILE 75 Ca 0.59 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 2cr4 s ILE 75 Cb -0.62 -3.14 0.06 0.00 0.01 0.00 0.00 42.46 38.77 2cr4 s ILE 75 CO 0.59 -0.11 1.01 -0.36 0.00 0.00 0.00 174.94 176.07 2cr4 s PHE 76 N 1.44 2.86 -0.26 3.97 0.40 -0.86 -4.06 117.98 121.47 2cr4 s PHE 76 Ca -0.00 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.74 2cr4 s PHE 76 Cb -0.19 -3.19 0.07 0.00 0.51 0.00 0.00 43.02 40.22 2cr4 s PHE 76 CO 0.03 -1.42 -0.00 -2.00 0.70 0.00 0.00 175.22 172.53 2cr4 s GLU 77 N -5.24 1.32 -0.02 0.44 2.12 -1.26 -3.06 118.70 113.01 2cr4 s GLU 77 Ca 0.60 -1.04 0.02 0.00 0.36 0.00 0.00 54.97 54.92 2cr4 s GLU 77 Cb -0.10 -2.49 -0.00 0.00 0.26 0.00 0.00 34.13 31.79 2cr4 s GLU 77 CO 0.45 -0.71 -0.08 0.21 -0.54 0.00 0.00 175.26 174.58 2cr4 s LYS 78 N 1.43 0.74 -0.48 4.30 2.20 -1.19 -4.79 119.74 121.96 2cr4 s LYS 78 Ca -0.00 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 2cr4 s LYS 78 Cb -0.18 -0.71 0.00 0.00 -1.51 0.00 0.00 37.83 35.42 2cr4 s LYS 78 CO -0.10 0.13 0.00 -0.25 -0.36 0.00 0.00 175.35 174.77 2cr4 n ASP 79 N 3.12 -2.21 -2.53 1.43 8.00 -1.26 0.13 116.55 123.23 2cr4 n ASP 79 Ca -0.16 0.34 -0.17 0.00 0.71 0.00 0.00 54.79 55.51 2cr4 n ASP 79 Cb 0.56 -1.99 0.05 0.00 -0.02 0.00 0.00 41.12 39.71 2cr4 n ASP 79 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2cr4 n SER 80 N -1.43 -5.03 -3.56 -2.24 7.64 -1.26 -5.01 113.62 102.73 2cr4 n SER 80 Ca -0.06 -0.32 -0.16 0.00 1.01 0.00 0.00 58.87 59.33 2cr4 n SER 80 Cb 0.51 -3.71 -0.13 0.00 -1.01 0.00 0.00 64.21 59.87 2cr4 n SER 80 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cr4 s LYS 81 N -5.74 0.17 0.30 1.43 1.02 0.35 -4.44 119.74 112.83 2cr4 s LYS 81 Ca 0.35 0.44 -0.30 0.00 0.02 0.00 0.00 55.97 56.48 2cr4 s LYS 81 Cb -0.15 -0.68 -0.12 0.00 -0.52 0.00 0.00 37.83 36.36 2cr4 s LYS 81 CO 0.43 -0.50 1.53 1.19 -0.92 0.00 0.00 175.35 177.09 2cr4 n PHE 82 N 5.33 2.74 -3.84 3.18 3.72 0.68 -3.16 117.46 126.11 2cr4 n PHE 82 Ca -0.05 0.33 -0.10 0.00 -0.05 0.00 0.00 57.45 57.57 2cr4 n PHE 82 Cb 0.50 -2.56 -0.08 0.00 -0.94 0.00 0.00 39.48 36.40 2cr4 n PHE 82 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2cr4 s TYR 83 N -0.26 0.05 -0.02 1.38 -0.85 -1.17 0.11 117.35 116.59 2cr4 s TYR 83 Ca 0.62 -0.26 0.01 0.00 -0.52 0.00 0.00 57.07 56.92 2cr4 s TYR 83 Cb -0.52 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 41.77 2cr4 s TYR 83 CO 0.52 -0.43 -0.01 1.28 -1.52 0.00 0.00 175.55 175.39 2cr4 n LEU 84 N 0.69 1.20 -0.09 -3.49 4.77 -1.26 -2.02 117.00 116.80 2cr4 n LEU 84 Ca -0.19 -0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.61 2cr4 n LEU 84 Cb 0.59 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.54 2cr4 n LEU 84 CO 0.22 0.25 -1.16 -1.84 -1.33 0.00 0.00 177.39 173.54 2cr4 n GLU 85 N -2.28 0.68 0.00 3.23 0.28 -1.26 -5.00 120.64 116.29 2cr4 n GLU 85 Ca -0.04 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 2cr4 n GLU 85 Cb 0.57 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.86 2cr4 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cr4 n GLY 86 N 2.10 0.94 0.44 -1.84 0.00 -1.26 -4.86 105.19 100.71 2cr4 n GLY 86 Ca -0.40 -0.54 0.35 0.00 0.00 0.00 0.00 46.02 45.44 2cr4 n GLY 86 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cr4 n GLU 87 N 0.00 -0.02 -3.10 1.61 0.28 -1.26 -3.48 120.64 114.68 2cr4 n GLU 87 Ca 0.00 0.92 -0.43 0.00 -0.16 0.00 0.00 57.16 57.49 2cr4 n GLU 87 Cb 0.00 -1.93 -0.06 0.00 1.43 0.00 0.00 31.44 30.88 2cr4 n GLU 87 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2cr4 s VAL 88 N -4.71 4.78 0.35 3.84 1.01 -1.26 -5.03 120.40 119.38 2cr4 s VAL 88 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2cr4 s VAL 88 Cb 0.23 -4.33 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 2cr4 s VAL 88 CO 0.66 -0.84 0.02 0.18 0.00 0.00 0.00 175.10 175.12 2cr4 n LEU 89 N 6.41 0.00 -3.67 3.92 4.32 -1.23 -4.17 117.00 122.59 2cr4 n LEU 89 Ca -0.04 -2.27 -0.10 0.00 -0.02 0.00 0.00 56.01 53.57 2cr4 n LEU 89 Cb 0.46 0.34 -0.11 0.00 -1.62 0.00 0.00 43.42 42.49 2cr4 n LEU 89 CO 0.56 -0.33 -0.02 -0.36 -1.22 0.00 0.00 177.39 176.02 2cr4 s PHE 90 N -2.37 -0.64 0.64 -1.77 0.40 0.12 -4.92 117.98 109.44 2cr4 s PHE 90 Ca 0.03 1.29 0.21 0.00 -0.60 0.00 0.00 56.93 57.86 2cr4 s PHE 90 Cb 0.00 0.20 1.01 0.00 0.51 0.00 0.00 43.02 44.74 2cr4 s PHE 90 CO 0.02 -0.41 1.54 -0.24 0.70 0.00 0.00 175.22 176.83 2cr4 h VAL 91 N 6.06 0.08 -1.79 -0.44 3.04 -1.86 0.19 116.25 121.54 2cr4 h VAL 91 Ca -0.21 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.49 2cr4 h VAL 91 Cb 1.13 0.34 -0.22 0.00 -2.01 0.00 0.00 31.29 30.53 2cr4 h VAL 91 CO 0.17 0.00 0.35 -0.94 -1.01 0.00 0.00 177.57 176.14 2cr4 s SER 92 N -4.02 -0.54 0.32 3.17 1.04 -1.26 -4.66 113.70 107.75 2cr4 s SER 92 Ca -0.02 0.72 0.08 0.00 0.48 0.00 0.00 55.95 57.21 2cr4 s SER 92 Cb 0.09 0.62 0.92 0.00 0.10 0.00 0.00 66.02 67.75 2cr4 s SER 92 CO 0.30 -0.40 1.62 0.58 0.98 0.00 0.00 173.24 176.31 2cr4 h VAL 93 N 3.06 0.17 -0.43 5.02 2.07 -1.94 -1.71 116.25 122.49 2cr4 h VAL 93 Ca -0.24 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.27 2cr4 h VAL 93 Cb 1.16 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2cr4 h VAL 93 CO 0.28 0.02 -0.30 1.23 0.02 0.00 0.00 177.57 178.82 2cr4 h GLY 94 N 0.14 -1.67 0.11 2.17 0.00 -1.95 0.87 103.07 102.74 2cr4 h GLY 94 Ca 0.66 0.92 0.10 0.00 0.00 0.00 0.00 47.33 49.01 2cr4 h GLY 94 CO -0.74 -0.46 -0.06 0.23 0.00 0.00 0.00 176.54 175.52 2cr4 h SER 95 N -0.06 -0.33 -0.66 0.19 0.87 -1.70 -0.86 113.55 111.00 2cr4 h SER 95 Ca 0.07 0.13 0.14 0.00 -1.23 0.00 0.00 61.79 60.90 2cr4 h SER 95 Cb 0.24 0.25 -0.10 0.00 -0.44 0.00 0.00 62.40 62.36 2cr4 h SER 95 CO -0.44 -0.12 0.12 -0.03 -0.53 0.00 0.00 176.83 175.83 2cr4 h MET 96 N 0.05 0.22 -0.21 2.24 4.05 -1.01 0.54 114.93 120.81 2cr4 h MET 96 Ca 0.24 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.64 2cr4 h MET 96 Cb 0.36 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 2cr4 h MET 96 CO -0.45 0.15 0.13 0.28 0.23 0.00 0.00 176.91 177.24 2cr4 h VAL 97 N 0.23 1.09 0.00 -5.77 2.07 0.46 0.84 116.25 115.17 2cr4 h VAL 97 Ca 0.36 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 2cr4 h VAL 97 Cb 0.58 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2cr4 h VAL 97 CO -0.48 0.08 -0.33 -0.33 0.02 0.00 0.00 177.57 176.53 2cr4 h GLU 98 N 0.26 0.00 0.02 1.57 5.08 -0.34 -1.62 114.58 119.55 2cr4 h GLU 98 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2cr4 h GLU 98 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2cr4 h GLU 98 CO -0.01 0.33 -0.01 1.25 -1.00 0.00 0.00 179.01 179.57 2cr4 h HIS 99 N 0.00 -0.02 0.00 4.33 2.76 0.53 -3.23 115.15 119.52 2cr4 h HIS 99 Ca -0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2cr4 h HIS 99 Cb 0.58 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 2cr4 h HIS 99 CO 0.00 0.60 -0.15 1.88 -1.30 0.00 0.00 177.93 178.96 2cr4 h TYR 100 N -0.67 0.00 -1.44 5.26 0.05 -0.77 -2.71 116.97 116.69 2cr4 h TYR 100 Ca -0.00 0.00 0.42 0.00 0.05 0.00 0.00 58.73 59.19 2cr4 h TYR 100 Cb 0.63 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.31 2cr4 h TYR 100 CO 0.14 0.15 1.29 0.45 -1.05 0.00 0.00 178.16 179.15 2cr4 h HIS 101 N 0.00 0.00 0.00 4.88 3.86 -1.30 0.42 115.15 123.01 2cr4 h HIS 101 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 2cr4 h HIS 101 Cb 0.28 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 2cr4 h HIS 101 CO 0.00 0.00 -1.30 0.25 0.86 0.00 0.00 177.93 177.74 2cr4 n THR 102 N -3.56 0.19 -3.46 2.45 -2.24 -1.04 -4.80 114.28 101.81 2cr4 n THR 102 Ca 0.32 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 2cr4 n THR 102 Cb 1.73 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.59 2cr4 n THR 102 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2cr4 s HIS 103 N -2.23 3.55 0.34 4.78 4.02 0.15 -5.06 115.29 120.85 2cr4 s HIS 103 Ca -0.02 -2.05 -0.24 0.00 1.02 0.00 0.00 55.06 53.77 2cr4 s HIS 103 Cb 0.02 -3.61 -0.16 0.00 -1.02 0.00 0.00 32.58 27.82 2cr4 s HIS 103 CO 0.21 -0.96 0.31 1.55 1.02 0.00 0.00 174.74 176.87 2cr4 n VAL 104 N 4.19 1.25 -1.65 -0.90 3.14 -1.24 -4.47 118.33 118.65 2cr4 n VAL 104 Ca 0.05 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.60 2cr4 n VAL 104 Cb 0.43 -0.11 0.06 0.00 -1.06 0.00 0.00 33.84 33.15 2cr4 n VAL 104 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2cr4 s LEU 105 N 3.45 3.30 0.77 6.55 1.43 -0.61 -4.96 118.68 128.62 2cr4 s LEU 105 Ca 0.61 1.94 -0.10 0.00 -1.03 0.00 0.00 54.13 55.55 2cr4 s LEU 105 Cb -0.72 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.02 2cr4 s LEU 105 CO 0.60 -1.70 1.09 -2.16 0.23 0.00 0.00 176.35 174.41 2cr4 s PRO 106 N -4.31 2.24 -0.58 1.29 0.04 -1.26 -3.80 135.00 128.62 2cr4 s PRO 106 Ca 0.65 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2cr4 s PRO 106 Cb -0.19 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2cr4 s PRO 106 CO 0.45 -1.65 0.00 0.45 0.04 0.00 0.00 177.00 176.29 2cr4 n SER 107 N -3.53 -3.08 -1.95 6.66 2.88 -1.26 -4.99 113.62 108.35 2cr4 n SER 107 Ca 0.09 0.07 -0.05 0.00 -1.33 0.00 0.00 58.87 57.65 2cr4 n SER 107 Cb 0.53 -1.78 0.01 0.00 -0.75 0.00 0.00 64.21 62.21 2cr4 n SER 107 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2cr4 n HIS 108 N -3.42 -1.52 -0.03 0.66 -0.00 -1.25 -5.10 115.22 104.56 2cr4 n HIS 108 Ca -0.07 -1.03 -0.07 0.00 -0.00 0.00 0.00 57.72 56.56 2cr4 n HIS 108 Cb 0.38 0.43 -0.02 0.00 -0.00 0.00 0.00 29.99 30.78 2cr4 n HIS 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2cr4 n GLN 109 N -0.28 0.24 -2.70 1.57 10.64 -1.26 -4.88 117.38 120.71 2cr4 n GLN 109 Ca -0.03 0.10 -0.15 0.00 -1.83 0.00 0.00 57.00 55.09 2cr4 n GLN 109 Cb 0.31 -0.92 0.01 0.00 -0.86 0.00 0.00 30.24 28.78 2cr4 n GLN 109 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2cr4 n SER 110 N -3.83 2.17 -4.32 2.61 7.64 -1.26 -4.92 113.62 111.72 2cr4 n SER 110 Ca -0.11 -3.00 -0.46 0.00 1.01 0.00 0.00 58.87 56.31 2cr4 n SER 110 Cb 0.35 -0.53 -0.05 0.00 -1.01 0.00 0.00 64.21 62.98 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2cr4 s LEU 111 N -3.13 6.09 0.34 -3.43 2.96 -1.26 -5.03 118.68 115.20 2cr4 s LEU 111 Ca 0.34 -1.80 0.09 0.00 -0.22 0.00 0.00 54.13 52.54 2cr4 s LEU 111 Cb 0.43 -2.23 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 2cr4 s LEU 111 CO -0.03 -0.88 0.06 -0.76 -1.32 0.00 0.00 176.35 173.41 2cr4 s LEU 112 N 1.69 3.09 -0.57 -0.68 1.43 -1.26 -1.57 118.68 120.81 2cr4 s LEU 112 Ca 0.06 -0.90 -0.21 0.00 -1.03 0.00 0.00 54.13 52.05 2cr4 s LEU 112 Cb -0.27 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.51 2cr4 s LEU 112 CO 0.03 -0.25 0.79 -0.76 0.23 0.00 0.00 176.35 176.39 2cr4 s LEU 113 N -3.76 4.71 -0.13 1.79 1.43 -1.26 -4.23 118.68 117.23 2cr4 s LEU 113 Ca 0.36 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.47 2cr4 s LEU 113 Cb -0.01 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 2cr4 s LEU 113 CO 0.21 -1.15 -0.15 0.03 0.23 0.00 0.00 176.35 175.52 2cr4 h ARG 114 N 9.24 0.00 -4.45 1.70 -0.00 -1.80 -3.44 114.38 115.63 2cr4 h ARG 114 Ca -0.28 0.00 -0.37 0.00 -0.50 0.00 0.00 59.98 58.83 2cr4 h ARG 114 Cb 1.08 0.00 -0.29 0.00 0.00 0.00 0.00 29.97 30.76 2cr4 h ARG 114 CO 1.07 0.00 -0.77 -1.01 0.00 0.00 0.00 179.97 179.27 2cr4 s HIS 115 N -2.11 0.66 1.16 3.04 3.76 -1.25 -5.02 115.29 115.53 2cr4 s HIS 115 Ca -0.12 -0.13 -0.18 0.00 -0.15 0.00 0.00 55.06 54.47 2cr4 s HIS 115 Cb 0.02 -0.45 0.27 0.00 1.11 0.00 0.00 32.58 33.52 2cr4 s HIS 115 CO 0.18 -0.04 1.11 -1.25 -0.85 0.00 0.00 174.74 173.89 2cr4 s PRO 116 N -0.01 -0.91 0.24 8.40 0.04 -1.26 -2.09 135.00 139.41 2cr4 s PRO 116 Ca 0.01 0.05 -0.08 0.00 0.04 0.00 0.00 61.00 61.01 2cr4 s PRO 116 Cb -0.05 -1.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.81 2cr4 s PRO 116 CO -0.00 -3.53 0.54 -0.47 0.04 0.00 0.00 177.00 173.58 2cr4 s TYR 117 N -3.00 3.45 0.00 0.56 5.04 0.43 -4.30 117.35 119.53 2cr4 s TYR 117 Ca 0.70 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 2cr4 s TYR 117 Cb -0.12 -2.20 0.00 0.00 0.35 0.00 0.00 41.96 40.00 2cr4 s TYR 117 CO 0.56 0.25 0.00 0.41 -1.34 0.00 0.00 175.55 175.43 2cr4 n GLY 118 N -0.37 1.09 3.28 8.97 0.00 -1.26 -2.64 105.19 114.25 2cr4 n GLY 118 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2cr4 n GLY 118 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2cr4 n TYR 119 N 0.00 -2.63 -4.91 1.61 9.36 -1.26 -4.98 117.16 114.34 2cr4 n TYR 119 Ca 0.00 0.18 -0.33 0.00 3.32 0.00 0.00 57.90 61.08 2cr4 n TYR 119 Cb 0.00 -1.69 -0.15 0.00 -0.63 0.00 0.00 39.34 36.87 2cr4 n TYR 119 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2cr4 s THR 120 N -2.15 2.76 -0.00 2.97 -1.32 -1.26 -5.01 115.64 111.63 2cr4 s THR 120 Ca 0.53 -0.77 0.05 0.00 -1.21 0.00 0.00 61.69 60.29 2cr4 s THR 120 Cb -0.25 -2.13 -0.01 0.00 -1.51 0.00 0.00 72.50 68.60 2cr4 s THR 120 CO 0.71 0.54 -0.15 -0.55 -2.21 0.00 0.00 174.62 172.95 2cr4 s SER 121 N 0.27 1.76 -0.17 8.08 0.15 -1.26 -5.14 113.70 117.40 2cr4 s SER 121 Ca -0.12 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.24 2cr4 s SER 121 Cb -0.16 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 63.98 2cr4 s SER 121 CO 0.06 0.16 -0.20 -0.83 1.20 0.00 0.00 173.24 173.64 2cr4 s GLY 122 N -0.49 1.39 0.00 9.45 0.00 -1.26 -4.98 107.32 111.44 2cr4 s GLY 122 Ca 0.05 -1.17 0.13 0.00 0.00 0.00 0.00 44.72 43.74 2cr4 s GLY 122 CO -0.00 0.17 1.21 -1.55 0.00 0.00 0.00 173.10 172.93 2cr4 n PRO 123 N 4.41 0.48 -1.75 2.90 -0.04 -1.26 -4.78 135.00 134.97 2cr4 n PRO 123 Ca -0.20 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.97 2cr4 n PRO 123 Cb 0.51 -1.43 0.10 0.00 -0.04 0.00 0.00 33.50 32.65 2cr4 n PRO 123 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cr4 s SER 124 N -1.93 4.17 0.29 3.54 0.01 -1.26 -5.10 113.70 113.43 2cr4 s SER 124 Ca 0.20 0.89 0.05 0.00 1.31 0.00 0.00 55.95 58.40 2cr4 s SER 124 Cb 0.09 -1.44 -0.06 0.00 0.21 0.00 0.00 66.02 64.82 2cr4 s SER 124 CO 0.15 -2.13 -0.00 -0.44 0.41 0.00 0.00 173.24 171.23 2cr4 s SER 125 N -4.33 2.53 0.00 2.44 0.01 -1.26 -5.25 113.70 107.84 2cr4 s SER 125 Ca 0.62 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2cr4 s SER 125 Cb -0.13 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2cr4 s SER 125 CO 0.51 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 174.30