#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 -3.17 -4.98 1.61 7.64 -1.26 -4.99 113.62 108.47 2cr4 n SER 2 Ca 0.00 -0.74 -0.20 0.00 1.01 0.00 0.00 58.87 58.95 2cr4 n SER 2 Cb 0.00 -4.31 0.03 0.00 -1.01 0.00 0.00 64.21 58.92 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 -3.89 5.40 -0.26 6.43 0.01 -1.26 -4.99 113.70 115.14 2cr4 s SER 3 Ca 0.29 -0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.32 2cr4 s SER 3 Cb -0.14 -0.75 -0.01 0.00 0.21 0.00 0.00 66.02 65.32 2cr4 s SER 3 CO 0.79 -1.02 2.83 0.61 0.41 0.00 0.00 173.24 176.86 2cr4 n GLY 4 N -2.17 3.75 3.36 3.44 0.00 -1.26 -4.88 105.19 107.44 2cr4 n GLY 4 Ca 0.08 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.53 2cr4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr4 s SER 5 N 0.95 2.36 -0.07 1.61 0.01 -1.26 -5.15 113.70 112.15 2cr4 s SER 5 Ca 0.51 -1.13 -0.00 0.00 1.31 0.00 0.00 55.95 56.64 2cr4 s SER 5 Cb 0.31 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.47 2cr4 s SER 5 CO -0.10 -0.33 -0.03 -0.55 0.41 0.00 0.00 173.24 172.64 2cr4 s SER 6 N -3.34 1.45 0.00 2.44 0.15 -1.26 -4.92 113.70 108.22 2cr4 s SER 6 Ca 0.26 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2cr4 s SER 6 Cb 0.03 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2cr4 s SER 6 CO 0.08 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2cr4 n GLY 7 N 4.70 0.23 3.50 9.45 0.00 -1.26 -5.06 105.19 116.76 2cr4 n GLY 7 Ca -0.14 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 2cr4 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cr4 n GLU 8 N -0.53 -1.08 -3.51 1.61 4.71 -1.26 -5.03 120.64 115.55 2cr4 n GLU 8 Ca 0.00 -0.27 -0.17 0.00 -0.01 0.00 0.00 57.16 56.71 2cr4 n GLU 8 Cb 0.26 -2.10 -0.13 0.00 -1.01 0.00 0.00 31.44 28.46 2cr4 n GLU 8 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2cr4 s ASP 9 N -2.31 1.19 -0.59 1.62 2.15 -1.26 -5.08 116.67 112.38 2cr4 s ASP 9 Ca 0.63 -0.09 0.05 0.00 0.43 0.00 0.00 52.55 53.57 2cr4 s ASP 9 Cb -0.22 0.44 0.19 0.00 -0.30 0.00 0.00 42.92 43.03 2cr4 s ASP 9 CO 0.63 -0.31 0.50 -1.22 -0.17 0.00 0.00 175.17 174.60 2cr4 n TYR 10 N 5.32 1.93 -3.87 -5.34 4.02 -1.26 -5.10 117.16 112.86 2cr4 n TYR 10 Ca -0.05 -3.97 -0.23 0.00 -0.01 0.00 0.00 57.90 53.64 2cr4 n TYR 10 Cb 0.50 -0.36 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 2cr4 n TYR 10 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 2cr4 s GLU 11 N -1.20 3.45 -0.58 -0.72 -1.05 -1.26 -4.35 118.70 112.99 2cr4 s GLU 11 Ca 0.30 -0.65 -0.03 0.00 -0.15 0.00 0.00 54.97 54.45 2cr4 s GLU 11 Cb 0.03 -2.87 0.02 0.00 -0.44 0.00 0.00 34.13 30.87 2cr4 s GLU 11 CO -0.15 0.41 0.09 1.63 0.95 0.00 0.00 175.26 178.19 2cr4 n LYS 12 N -1.24 -2.66 -3.56 -4.83 5.02 -1.26 -4.90 118.16 104.73 2cr4 n LYS 12 Ca -0.08 0.24 -0.32 0.00 -2.02 0.00 0.00 58.31 56.14 2cr4 n LYS 12 Cb 0.56 -4.80 -0.05 0.00 -0.02 0.00 0.00 35.03 30.72 2cr4 n LYS 12 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2cr4 s VAL 13 N -2.37 5.07 -0.02 -0.18 -7.23 -1.26 -5.03 120.40 109.38 2cr4 s VAL 13 Ca 0.10 0.22 -0.25 0.00 -1.81 0.00 0.00 61.98 60.24 2cr4 s VAL 13 Cb -0.05 -3.62 -0.18 0.00 0.56 0.00 0.00 36.38 33.08 2cr4 s VAL 13 CO 0.12 -0.01 1.17 1.55 -0.31 0.00 0.00 175.10 177.62 2cr4 h PRO 14 N 2.71 -0.14 -4.06 4.82 0.13 -1.96 -3.41 132.00 130.08 2cr4 h PRO 14 Ca -0.46 0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.06 2cr4 h PRO 14 Cb 1.17 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 2cr4 h PRO 14 CO 0.71 0.29 -0.74 -0.51 -0.23 0.00 0.00 178.00 177.52 2cr4 s LEU 15 N -9.25 3.28 0.74 1.56 2.01 -1.26 -4.92 118.68 110.85 2cr4 s LEU 15 Ca -0.15 -1.82 -0.12 0.00 0.01 0.00 0.00 54.13 52.05 2cr4 s LEU 15 Cb 0.02 -1.19 0.04 0.00 0.01 0.00 0.00 46.19 45.06 2cr4 s LEU 15 CO 0.60 -0.39 1.10 -2.16 1.01 0.00 0.00 176.35 176.50 2cr4 s PRO 16 N 1.31 2.41 0.00 1.29 0.04 -1.26 -4.93 135.00 133.87 2cr4 s PRO 16 Ca 0.09 1.23 0.26 0.00 0.04 0.00 0.00 61.00 62.63 2cr4 s PRO 16 Cb -0.18 -1.91 1.36 0.00 0.04 0.00 0.00 34.50 33.80 2cr4 s PRO 16 CO -0.17 -1.53 1.90 -1.71 0.04 0.00 0.00 177.00 175.53 2cr4 n ASN 17 N -3.21 0.00 -0.12 6.66 2.85 -1.26 -3.33 115.26 116.85 2cr4 n ASN 17 Ca 0.09 -0.17 -0.13 0.00 -0.11 0.00 0.00 54.58 54.26 2cr4 n ASN 17 Cb 0.53 -0.25 -0.02 0.00 1.24 0.00 0.00 39.78 41.27 2cr4 n ASN 17 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2cr4 h SER 18 N 0.00 1.01 -0.16 1.20 0.02 -1.92 -3.23 113.55 110.47 2cr4 h SER 18 Ca 0.00 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 2cr4 h SER 18 Cb 0.22 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2cr4 h SER 18 CO 0.00 1.26 -0.00 -0.37 -1.14 0.00 0.00 176.83 176.58 2cr4 h VAL 19 N 0.77 1.25 -2.41 2.27 -1.51 -1.54 -3.41 116.25 111.67 2cr4 h VAL 19 Ca 0.06 -0.84 -0.58 0.00 -1.23 0.00 0.00 66.70 64.11 2cr4 h VAL 19 Cb 0.97 1.50 -0.02 0.00 -2.13 0.00 0.00 31.29 31.61 2cr4 h VAL 19 CO 0.09 0.25 1.36 -0.36 -1.23 0.00 0.00 177.57 177.68 2cr4 s PHE 20 N -4.97 1.57 0.07 5.19 0.40 -1.22 -2.54 117.98 116.47 2cr4 s PHE 20 Ca -0.14 0.60 0.04 0.00 -0.60 0.00 0.00 56.93 56.83 2cr4 s PHE 20 Cb 0.06 -4.05 -0.04 0.00 0.51 0.00 0.00 43.02 39.50 2cr4 s PHE 20 CO 0.72 -3.36 -0.02 0.54 0.70 0.00 0.00 175.22 173.80 2cr4 s VAL 21 N 7.45 3.91 -0.31 -0.44 0.11 -0.53 -4.96 120.40 125.63 2cr4 s VAL 21 Ca 0.87 -0.94 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2cr4 s VAL 21 Cb -0.26 -2.82 0.14 0.00 -1.53 0.00 0.00 36.38 31.91 2cr4 s VAL 21 CO 0.34 0.19 1.05 -3.20 -3.33 0.00 0.00 175.10 170.16 2cr4 n ASN 22 N 0.84 2.80 -4.60 3.54 4.05 -1.26 -3.90 115.26 116.72 2cr4 n ASN 22 Ca -0.12 -2.28 -0.34 0.00 0.45 0.00 0.00 54.58 52.29 2cr4 n ASN 22 Cb 0.52 -0.56 -0.11 0.00 1.23 0.00 0.00 39.78 40.87 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2cr4 s THR 23 N -0.85 4.20 -0.39 -0.44 -1.32 -1.26 -4.95 115.64 110.63 2cr4 s THR 23 Ca 0.11 -0.27 0.06 0.00 -1.21 0.00 0.00 61.69 60.38 2cr4 s THR 23 Cb 0.09 -2.81 0.56 0.00 -1.51 0.00 0.00 72.50 68.84 2cr4 s THR 23 CO 0.02 0.54 1.68 0.35 -2.21 0.00 0.00 174.62 175.01 2cr4 n THR 24 N 2.85 2.91 -4.28 5.08 -2.24 -1.26 -1.86 114.28 115.48 2cr4 n THR 24 Ca -0.18 -2.53 -0.15 0.00 -2.27 0.00 0.00 64.05 58.92 2cr4 n THR 24 Cb 0.53 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 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 -3.34 1.33 -0.26 -0.78 0.41 -1.26 -4.43 118.70 110.37 2cr4 s GLU 25 Ca 0.52 -1.71 -0.12 0.00 -0.41 0.00 0.00 54.97 53.25 2cr4 s GLU 25 Cb 0.45 -0.14 -0.11 0.00 -1.78 0.00 0.00 34.13 32.54 2cr4 s GLU 25 CO 0.04 -0.30 -0.32 0.45 -0.49 0.00 0.00 175.26 174.64 2cr4 n SER 26 N -0.40 1.84 -0.32 -0.19 2.88 -1.26 -4.15 113.62 112.01 2cr4 n SER 26 Ca -0.00 0.28 0.24 0.00 -1.33 0.00 0.00 58.87 58.05 2cr4 n SER 26 Cb 0.66 -0.72 0.46 0.00 -0.75 0.00 0.00 64.21 63.86 2cr4 n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cr4 h GLU 28 N 0.13 -0.78 -0.81 0.00 4.57 -2.01 -2.86 114.58 112.83 2cr4 h GLU 28 Ca 0.73 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 59.16 2cr4 h GLU 28 Cb 1.75 0.18 -0.14 0.00 -0.16 0.00 0.00 28.75 30.37 2cr4 h GLU 28 CO -0.73 -0.48 0.06 0.28 -1.18 0.00 0.00 179.01 176.96 2cr4 h VAL 29 N -1.15 0.30 -0.54 0.32 2.07 -1.22 0.24 116.25 116.26 2cr4 h VAL 29 Ca -0.08 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.47 2cr4 h VAL 29 Cb 0.65 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 2cr4 h VAL 29 CO 0.14 0.02 0.22 -0.08 0.02 0.00 0.00 177.57 177.89 2cr4 h GLU 30 N 0.12 0.41 -0.47 1.57 4.81 -1.13 -0.45 114.58 119.44 2cr4 h GLU 30 Ca 0.47 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.64 2cr4 h GLU 30 Cb 0.86 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 2cr4 h GLU 30 CO -0.70 0.27 0.17 -0.09 -0.73 0.00 0.00 179.01 177.94 2cr4 h ARG 31 N 0.42 0.71 0.00 1.92 9.65 -0.37 -3.06 114.38 123.66 2cr4 h ARG 31 Ca 0.26 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 59.01 2cr4 h ARG 31 Cb 0.26 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 2cr4 h ARG 31 CO -0.24 0.66 -0.06 -0.07 2.80 0.00 0.00 179.97 183.06 2cr4 h LEU 32 N 0.62 -0.17 -0.42 3.80 3.38 -0.42 -2.30 115.31 119.79 2cr4 h LEU 32 Ca 0.15 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2cr4 h LEU 32 Cb 0.23 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 2cr4 h LEU 32 CO -0.01 -0.09 -0.47 -0.26 0.09 0.00 0.00 178.44 177.70 2cr4 h PHE 33 N -0.11 -1.44 -0.20 1.13 -1.00 -1.01 0.67 116.94 114.98 2cr4 h PHE 33 Ca 0.02 0.08 0.06 0.00 2.81 0.00 0.00 57.97 60.94 2cr4 h PHE 33 Cb 0.14 0.68 -0.01 0.00 3.61 0.00 0.00 35.95 40.37 2cr4 h PHE 33 CO -0.13 -0.39 0.26 0.87 -1.61 0.00 0.00 178.31 177.31 2cr4 h LYS 34 N -0.27 0.00 0.14 1.51 1.57 -1.45 -1.90 116.57 116.17 2cr4 h LYS 34 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2cr4 h LYS 34 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2cr4 h LYS 34 CO -0.54 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.27 2cr4 h ALA 35 N 1.67 -0.19 -1.02 3.86 0.00 0.87 -3.16 119.26 121.28 2cr4 h ALA 35 Ca 0.09 -0.22 0.26 0.00 0.00 0.00 0.00 54.91 55.04 2cr4 h ALA 35 Cb 0.61 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 2cr4 h ALA 35 CO -0.00 -0.37 0.66 1.79 0.00 0.00 0.00 179.25 181.34 2cr4 h THR 36 N -0.68 0.55 -3.51 0.00 1.35 -0.32 -3.41 112.91 106.90 2cr4 h THR 36 Ca -0.02 -0.13 -0.52 0.00 -0.55 0.00 0.00 66.41 65.18 2cr4 h THR 36 Cb 0.50 0.13 0.05 0.00 -1.73 0.00 0.00 68.15 67.10 2cr4 h THR 36 CO 0.03 0.07 0.67 -0.55 -0.25 0.00 0.00 175.52 175.50 2cr4 s SER 37 N -5.34 6.81 0.21 5.36 0.15 -1.17 -4.94 113.70 114.78 2cr4 s SER 37 Ca -0.08 2.54 -0.03 0.00 0.70 0.00 0.00 55.95 59.07 2cr4 s SER 37 Cb 0.25 -2.62 0.16 0.00 -1.71 0.00 0.00 66.02 62.09 2cr4 s SER 37 CO 0.80 -0.57 1.56 1.55 1.20 0.00 0.00 173.24 177.78 2cr4 h PRO 38 N 4.77 0.62 -0.01 5.44 0.13 -1.86 -2.88 132.00 138.21 2cr4 h PRO 38 Ca -0.46 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 2cr4 h PRO 38 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2cr4 h PRO 38 CO 0.74 0.93 -0.12 2.89 -0.23 0.00 0.00 178.00 182.21 2cr4 n ARG 39 N -4.02 1.16 -0.06 0.86 1.85 -1.26 -4.91 116.66 110.28 2cr4 n ARG 39 Ca -0.02 -0.62 0.00 0.00 -1.00 0.00 0.00 57.85 56.21 2cr4 n ARG 39 Cb 0.53 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 2cr4 n ARG 39 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2cr4 n GLY 40 N 1.25 1.24 3.31 2.89 0.00 -1.09 -5.03 105.19 107.77 2cr4 n GLY 40 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.56 3.37 0.66 1.61 -1.05 -1.26 -4.64 118.70 116.83 2cr4 s GLU 41 Ca 0.00 -0.63 -0.15 0.00 -0.15 0.00 0.00 54.97 54.04 2cr4 s GLU 41 Cb 0.00 -3.01 -0.00 0.00 -0.44 0.00 0.00 34.13 30.68 2cr4 s GLU 41 CO 0.00 -0.20 1.11 -1.25 0.95 0.00 0.00 175.26 175.87 2cr4 s PRO 42 N 1.48 2.81 0.20 -4.83 0.04 -1.26 -4.78 135.00 128.65 2cr4 s PRO 42 Ca 0.06 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 62.31 2cr4 s PRO 42 Cb -0.14 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 2cr4 s PRO 42 CO -0.03 -1.24 0.67 -0.65 0.04 0.00 0.00 177.00 175.78 2cr4 s GLN 43 N -4.10 4.16 0.16 4.56 -0.21 -1.26 -5.00 119.66 117.97 2cr4 s GLN 43 Ca 0.67 0.74 -0.34 0.00 0.02 0.00 0.00 55.36 56.45 2cr4 s GLN 43 Cb -0.20 -2.89 -0.14 0.00 1.00 0.00 0.00 33.01 30.78 2cr4 s GLN 43 CO 0.41 0.42 1.60 -3.47 -2.12 0.00 0.00 175.29 172.13 2cr4 n ASP 44 N 0.74 3.18 0.00 5.90 2.03 -1.26 -1.89 116.55 125.25 2cr4 n ASP 44 Ca -0.03 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.36 2cr4 n ASP 44 Cb 0.51 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 2cr4 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cr4 n GLY 45 N 3.48 1.74 3.45 0.27 0.00 -1.16 -4.59 105.19 108.38 2cr4 n GLY 45 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 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 1.31 -4.57 0.99 7.94 -0.79 -3.73 117.00 118.15 2cr4 n LEU 46 Ca 0.00 0.21 -0.25 0.00 -1.11 0.00 0.00 56.01 54.86 2cr4 n LEU 46 Cb 0.00 -1.14 -0.09 0.00 0.53 0.00 0.00 43.42 42.71 2cr4 n LEU 46 CO 0.00 -0.89 -0.36 -0.72 -1.11 0.00 0.00 177.39 174.31 2cr4 s TYR 47 N 8.54 2.46 0.19 1.96 1.13 -0.88 0.11 117.35 130.87 2cr4 s TYR 47 Ca 1.18 -0.43 -0.08 0.00 -1.41 0.00 0.00 57.07 56.33 2cr4 s TYR 47 Cb -0.98 -1.35 0.03 0.00 -1.10 0.00 0.00 41.96 38.56 2cr4 s TYR 47 CO 0.48 0.57 0.42 0.00 -2.51 0.00 0.00 175.55 174.50 2cr4 s ILE 49 N -2.52 0.20 0.32 0.00 1.01 -1.05 -2.27 121.20 116.89 2cr4 s ILE 49 Ca 0.08 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.52 2cr4 s ILE 49 Cb -0.02 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2cr4 s ILE 49 CO 0.06 -0.20 0.14 0.00 0.00 0.00 0.00 174.94 174.94 2cr4 s ARG 50 N 2.01 2.44 0.42 2.79 1.70 -1.18 -1.45 118.95 125.67 2cr4 s ARG 50 Ca 0.01 -1.47 -0.22 0.00 -0.47 0.00 0.00 55.73 53.58 2cr4 s ARG 50 Cb -0.16 -2.23 -0.10 0.00 -0.57 0.00 0.00 34.95 31.89 2cr4 s ARG 50 CO -0.08 0.17 0.98 -0.80 -1.08 0.00 0.00 175.30 174.49 2cr4 s ASN 51 N -3.84 6.86 -0.99 -2.89 0.01 -0.78 -1.81 114.94 111.51 2cr4 s ASN 51 Ca 0.37 1.83 -0.02 0.00 -0.71 0.00 0.00 52.86 54.33 2cr4 s ASN 51 Cb -0.04 -2.56 0.31 0.00 0.41 0.00 0.00 41.25 39.37 2cr4 s ASN 51 CO 0.23 -0.41 1.45 -0.24 -1.51 0.00 0.00 177.10 176.61 2cr4 n SER 52 N -0.37 6.23 -4.48 -1.22 2.88 -1.16 -4.17 113.62 111.31 2cr4 n SER 52 Ca 0.06 -3.49 -0.41 0.00 -1.33 0.00 0.00 58.87 53.70 2cr4 n SER 52 Cb 0.52 -1.14 -0.07 0.00 -0.75 0.00 0.00 64.21 62.77 2cr4 n SER 52 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cr4 n SER 53 N 0.89 -2.04 -3.59 -3.46 3.41 -1.26 -4.84 113.62 102.74 2cr4 n SER 53 Ca 0.31 -1.21 -0.05 0.00 -0.26 0.00 0.00 58.87 57.67 2cr4 n SER 53 Cb 0.33 -1.82 -0.02 0.00 -0.26 0.00 0.00 64.21 62.44 2cr4 n SER 53 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2cr4 s THR 54 N -3.28 0.00 -0.01 6.66 -1.32 -1.26 -5.05 115.64 111.37 2cr4 s THR 54 Ca 0.80 -0.01 -0.20 0.00 -1.21 0.00 0.00 61.69 61.07 2cr4 s THR 54 Cb -0.46 -1.05 -0.27 0.00 -1.51 0.00 0.00 72.50 69.21 2cr4 s THR 54 CO 1.01 0.00 1.01 0.50 -2.21 0.00 0.00 174.62 174.94 2cr4 h LYS 55 N 2.00 0.39 -4.28 7.08 3.64 -2.01 -3.39 116.57 120.00 2cr4 h LYS 55 Ca -0.12 -0.52 -0.76 0.00 -1.27 0.00 0.00 60.65 57.99 2cr4 h LYS 55 Cb 1.18 0.17 -0.22 0.00 -0.41 0.00 0.00 32.23 32.94 2cr4 h LYS 55 CO 0.24 1.19 0.66 -1.12 -2.27 0.00 0.00 179.45 178.16 2cr4 s SER 56 N -6.92 6.94 0.00 4.20 0.01 -1.26 -4.89 113.70 111.78 2cr4 s SER 56 Ca -0.13 -2.83 0.00 0.00 1.31 0.00 0.00 55.95 54.30 2cr4 s SER 56 Cb 0.03 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2cr4 s SER 56 CO 0.84 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2cr4 n GLY 57 N 4.06 4.22 3.19 3.44 0.00 -1.26 -5.04 105.19 113.80 2cr4 n GLY 57 Ca 0.24 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.27 0.93 -0.14 1.61 -0.14 -1.26 -3.00 119.74 115.47 2cr4 s LYS 58 Ca 0.00 -1.41 -0.02 0.00 -1.36 0.00 0.00 55.97 53.19 2cr4 s LYS 58 Cb 0.00 -0.17 0.04 0.00 -1.68 0.00 0.00 37.83 36.02 2cr4 s LYS 58 CO 0.00 -0.08 -0.00 0.08 -0.76 0.00 0.00 175.35 174.59 2cr4 s VAL 59 N -3.68 0.60 -0.21 3.17 1.01 -0.75 -0.28 120.40 120.25 2cr4 s VAL 59 Ca 0.17 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 2cr4 s VAL 59 Cb 0.06 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2cr4 s VAL 59 CO -0.02 0.07 1.54 -0.22 0.00 0.00 0.00 175.10 176.48 2cr4 s LEU 60 N 1.85 3.95 -0.24 3.92 2.96 0.21 -3.10 118.68 128.24 2cr4 s LEU 60 Ca 0.02 1.62 -0.05 0.00 -0.22 0.00 0.00 54.13 55.49 2cr4 s LEU 60 Cb -0.15 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 2cr4 s LEU 60 CO -0.07 -1.16 0.01 -0.69 -1.32 0.00 0.00 176.35 173.12 2cr4 s VAL 61 N 4.84 3.75 0.12 1.68 1.01 -0.96 0.05 120.40 130.89 2cr4 s VAL 61 Ca 0.68 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2cr4 s VAL 61 Cb -0.24 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2cr4 s VAL 61 CO 0.27 0.35 -0.05 -0.69 0.00 0.00 0.00 175.10 174.98 2cr4 s VAL 62 N 1.53 3.64 -0.26 2.92 1.01 -1.25 -0.71 120.40 127.28 2cr4 s VAL 62 Ca 0.05 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.65 2cr4 s VAL 62 Cb -0.15 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 2cr4 s VAL 62 CO -0.00 0.06 0.42 0.86 0.00 0.00 0.00 175.10 176.43 2cr4 s TRP 63 N -1.38 3.27 -0.75 5.22 -0.11 0.30 -1.60 118.94 123.89 2cr4 s TRP 63 Ca 0.24 0.50 -0.18 0.00 1.22 0.00 0.00 56.10 57.89 2cr4 s TRP 63 Cb -0.11 -2.61 0.14 0.00 -1.50 0.00 0.00 33.47 29.39 2cr4 s TRP 63 CO 0.16 -0.22 0.85 -0.51 -4.62 0.00 0.00 176.95 172.61 2cr4 s ASP 64 N 1.54 6.45 0.46 5.86 1.01 0.89 -2.97 116.67 129.90 2cr4 s ASP 64 Ca 0.17 -1.90 0.14 0.00 0.71 0.00 0.00 52.55 51.67 2cr4 s ASP 64 Cb -0.16 -2.31 1.04 0.00 1.01 0.00 0.00 42.92 42.50 2cr4 s ASP 64 CO 0.09 -0.98 2.03 -0.08 0.21 0.00 0.00 175.17 176.44 2cr4 h GLU 65 N 8.76 0.05 -0.12 8.23 4.22 -1.91 1.84 114.58 135.65 2cr4 h GLU 65 Ca -0.07 -0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.25 2cr4 h GLU 65 Cb 1.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2cr4 h GLU 65 CO 1.02 0.16 -0.43 1.79 -2.18 0.00 0.00 179.01 179.37 2cr4 h THR 66 N 0.05 1.32 -0.14 0.32 1.35 -1.96 -3.10 112.91 110.74 2cr4 h THR 66 Ca 0.01 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 2cr4 h THR 66 Cb 0.23 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2cr4 h THR 66 CO 0.02 0.47 0.00 -1.20 -0.25 0.00 0.00 175.52 174.56 2cr4 n SER 67 N -4.01 2.24 -4.12 5.36 7.64 -0.75 -5.00 113.62 114.98 2cr4 n SER 67 Ca -0.02 -1.68 -0.33 0.00 1.01 0.00 0.00 58.87 57.86 2cr4 n SER 67 Cb 0.50 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.56 2cr4 n SER 67 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2cr4 n ASN 68 N 0.42 -0.86 -2.02 6.43 5.15 0.62 -4.92 115.26 120.07 2cr4 n ASN 68 Ca 0.07 -1.19 -0.07 0.00 -0.60 0.00 0.00 54.58 52.79 2cr4 n ASN 68 Cb 0.31 -2.16 -0.01 0.00 -0.53 0.00 0.00 39.78 37.39 2cr4 n ASN 68 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2cr4 n LYS 69 N -4.60 0.41 -4.35 1.20 2.85 -0.84 -4.98 118.16 107.84 2cr4 n LYS 69 Ca -0.26 -1.41 -0.27 0.00 -1.05 0.00 0.00 58.31 55.32 2cr4 n LYS 69 Cb 0.66 1.42 -0.13 0.00 -0.65 0.00 0.00 35.03 36.33 2cr4 n LYS 69 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2cr4 s VAL 70 N -2.62 2.05 0.41 0.58 -7.23 -1.26 -0.08 120.40 112.26 2cr4 s VAL 70 Ca 0.14 -1.68 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 2cr4 s VAL 70 Cb -0.01 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2cr4 s VAL 70 CO 0.10 0.03 0.26 -0.13 -0.31 0.00 0.00 175.10 175.05 2cr4 s ARG 71 N -2.01 2.36 -0.32 4.82 1.81 -0.63 -4.96 118.95 120.04 2cr4 s ARG 71 Ca 0.11 -1.70 -0.01 0.00 -1.72 0.00 0.00 55.73 52.42 2cr4 s ARG 71 Cb -0.10 -2.16 0.10 0.00 -0.45 0.00 0.00 34.95 32.34 2cr4 s ARG 71 CO 0.05 -0.13 0.10 -0.80 -0.68 0.00 0.00 175.30 173.85 2cr4 s ASN 72 N -3.99 4.02 -0.67 0.23 0.02 -1.26 -3.81 114.94 109.47 2cr4 s ASN 72 Ca 0.44 -1.69 -0.11 0.00 -1.02 0.00 0.00 52.86 50.47 2cr4 s ASN 72 Cb 0.01 -0.88 0.17 0.00 0.02 0.00 0.00 41.25 40.57 2cr4 s ASN 72 CO 0.25 -0.41 0.58 -0.31 0.02 0.00 0.00 177.10 177.22 2cr4 s TYR 73 N 1.55 3.55 0.01 2.20 2.02 0.11 -4.94 117.35 121.84 2cr4 s TYR 73 Ca 0.10 -2.04 -0.33 0.00 -0.37 0.00 0.00 57.07 54.44 2cr4 s TYR 73 Cb -0.18 -3.62 -0.11 0.00 -0.40 0.00 0.00 41.96 37.66 2cr4 s TYR 73 CO -0.24 -0.96 1.87 -2.13 -1.57 0.00 0.00 175.55 172.52 2cr4 n ARG 74 N 4.21 2.47 -2.97 -0.62 0.00 -1.26 0.68 116.66 119.17 2cr4 n ARG 74 Ca 0.04 0.90 -0.44 0.00 -0.00 0.00 0.00 57.85 58.36 2cr4 n ARG 74 Cb 0.43 -2.78 -0.04 0.00 0.00 0.00 0.00 32.46 30.07 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 3.62 4.64 0.95 5.15 1.01 0.62 -4.54 121.20 132.64 2cr4 s ILE 75 Ca 0.88 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 2cr4 s ILE 75 Cb -0.59 -4.64 0.16 0.00 0.01 0.00 0.00 42.46 37.40 2cr4 s ILE 75 CO 0.45 -1.35 1.09 -0.36 0.00 0.00 0.00 174.94 174.77 2cr4 s PHE 76 N 3.12 2.22 -0.29 3.97 0.08 0.18 -4.15 117.98 123.09 2cr4 s PHE 76 Ca 0.21 1.10 -0.00 0.00 0.12 0.00 0.00 56.93 58.36 2cr4 s PHE 76 Cb -0.16 -3.22 0.09 0.00 -0.57 0.00 0.00 43.02 39.16 2cr4 s PHE 76 CO 0.03 -2.65 0.07 -2.00 -0.10 0.00 0.00 175.22 170.56 2cr4 s GLU 77 N -4.97 0.92 -0.04 0.44 2.12 -1.26 -2.52 118.70 113.39 2cr4 s GLU 77 Ca 0.64 -1.11 0.03 0.00 0.36 0.00 0.00 54.97 54.89 2cr4 s GLU 77 Cb -0.18 -2.24 0.01 0.00 0.26 0.00 0.00 34.13 31.98 2cr4 s GLU 77 CO 0.57 -0.90 -0.11 0.21 -0.54 0.00 0.00 175.26 174.48 2cr4 s LYS 78 N 1.51 1.31 -1.06 4.30 2.20 -1.18 -4.76 119.74 122.07 2cr4 s LYS 78 Ca 0.07 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 2cr4 s LYS 78 Cb -0.18 -1.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.98 2cr4 s LYS 78 CO -0.19 0.11 0.00 -3.47 -0.36 0.00 0.00 175.35 171.44 2cr4 n ASP 79 N 3.42 -3.75 -2.04 1.43 -0.08 -1.26 0.33 116.55 114.60 2cr4 n ASP 79 Ca -0.20 0.21 -0.16 0.00 -1.51 0.00 0.00 54.79 53.14 2cr4 n ASP 79 Cb 0.53 -3.23 0.01 0.00 2.34 0.00 0.00 41.12 40.77 2cr4 n ASP 79 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2cr4 n SER 80 N -1.62 -4.72 -3.72 1.67 7.64 -1.26 -5.00 113.62 106.60 2cr4 n SER 80 Ca -0.14 -0.14 -0.25 0.00 1.01 0.00 0.00 58.87 59.35 2cr4 n SER 80 Cb 0.58 -3.68 -0.17 0.00 -1.01 0.00 0.00 64.21 59.93 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 -5.15 0.46 0.09 1.43 1.02 0.15 -4.59 119.74 113.14 2cr4 s LYS 81 Ca 0.14 -0.08 -0.31 0.00 0.02 0.00 0.00 55.97 55.74 2cr4 s LYS 81 Cb -0.06 -1.47 -0.10 0.00 -0.52 0.00 0.00 37.83 35.67 2cr4 s LYS 81 CO 0.18 -0.49 1.90 -0.06 -0.92 0.00 0.00 175.35 175.95 2cr4 s PHE 82 N 1.98 1.76 0.04 3.18 0.08 -0.32 -3.08 117.98 121.63 2cr4 s PHE 82 Ca 0.02 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.87 2cr4 s PHE 82 Cb -0.15 -4.22 -0.02 0.00 -0.57 0.00 0.00 43.02 38.06 2cr4 s PHE 82 CO -0.07 -5.21 -0.07 1.52 -0.10 0.00 0.00 175.22 171.30 2cr4 s TYR 83 N 3.48 0.60 -0.10 0.36 -0.85 -1.05 -1.06 117.35 118.72 2cr4 s TYR 83 Ca 0.84 -0.55 0.05 0.00 -0.52 0.00 0.00 57.07 56.89 2cr4 s TYR 83 Cb -0.45 -0.37 -0.10 0.00 0.38 0.00 0.00 41.96 41.43 2cr4 s TYR 83 CO 0.39 -0.12 -0.03 1.28 -1.52 0.00 0.00 175.55 175.55 2cr4 n LEU 84 N 1.34 1.26 -0.12 -3.49 4.77 -1.26 -0.65 117.00 118.85 2cr4 n LEU 84 Ca -0.22 -0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.48 2cr4 n LEU 84 Cb 0.55 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2cr4 n LEU 84 CO 0.21 0.43 -1.06 -1.84 -1.33 0.00 0.00 177.39 173.81 2cr4 n GLU 85 N -2.56 0.57 0.00 3.23 0.28 -1.26 -4.91 120.64 115.99 2cr4 n GLU 85 Ca -0.18 0.37 0.00 0.00 -0.16 0.00 0.00 57.16 57.20 2cr4 n GLU 85 Cb 0.77 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 32.06 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 1.34 0.04 0.48 -1.84 0.00 -1.26 -4.91 105.19 99.04 2cr4 n GLY 86 Ca -0.43 -0.09 0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.01 -3.21 1.61 0.28 -1.26 -3.43 120.64 114.62 2cr4 n GLU 87 Ca 0.00 0.87 -0.44 0.00 -0.16 0.00 0.00 57.16 57.43 2cr4 n GLU 87 Cb 0.00 -1.90 -0.07 0.00 1.43 0.00 0.00 31.44 30.91 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 -4.56 4.96 0.51 3.84 1.01 -1.26 -5.04 120.40 119.86 2cr4 s VAL 88 Ca -0.04 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2cr4 s VAL 88 Cb 0.21 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 2cr4 s VAL 88 CO 0.66 -0.72 0.02 -0.76 0.00 0.00 0.00 175.10 174.29 2cr4 s LEU 89 N 2.40 2.22 -0.14 3.92 1.02 -1.22 -4.27 118.68 122.62 2cr4 s LEU 89 Ca 0.13 -1.68 -0.04 0.00 0.02 0.00 0.00 54.13 52.56 2cr4 s LEU 89 Cb -0.20 -0.65 0.07 0.00 0.02 0.00 0.00 46.19 45.43 2cr4 s LEU 89 CO 0.11 -0.89 0.21 -0.36 0.02 0.00 0.00 176.35 175.44 2cr4 s PHE 90 N -2.92 -0.27 0.37 0.29 0.40 -0.23 -4.94 117.98 110.69 2cr4 s PHE 90 Ca 0.06 0.56 0.23 0.00 -0.60 0.00 0.00 56.93 57.17 2cr4 s PHE 90 Cb 0.01 -0.25 1.33 0.00 0.51 0.00 0.00 43.02 44.63 2cr4 s PHE 90 CO 0.03 -0.41 1.51 1.55 0.70 0.00 0.00 175.22 178.60 2cr4 n VAL 91 N 5.33 -0.36 -3.83 -0.44 3.14 -1.26 -1.18 118.33 119.73 2cr4 n VAL 91 Ca -0.05 1.88 -0.12 0.00 -2.96 0.00 0.00 64.34 63.09 2cr4 n VAL 91 Cb 0.50 -3.07 -0.10 0.00 -1.06 0.00 0.00 33.84 30.11 2cr4 n VAL 91 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2cr4 s SER 92 N -4.47 -0.06 0.21 6.55 1.04 -1.26 -4.56 113.70 111.15 2cr4 s SER 92 Ca -0.08 -0.05 -0.13 0.00 0.48 0.00 0.00 55.95 56.17 2cr4 s SER 92 Cb 0.32 0.26 0.25 0.00 0.10 0.00 0.00 66.02 66.95 2cr4 s SER 92 CO 0.76 -0.35 1.63 0.58 0.98 0.00 0.00 173.24 176.84 2cr4 h VAL 93 N 4.24 0.38 -0.70 5.02 2.07 -1.93 -2.33 116.25 123.00 2cr4 h VAL 93 Ca -0.30 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.28 2cr4 h VAL 93 Cb 1.19 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 2cr4 h VAL 93 CO 0.40 0.00 -0.41 0.61 0.02 0.00 0.00 177.57 178.19 2cr4 n GLY 94 N -1.42 -2.48 0.21 2.17 0.00 -1.26 -0.18 105.19 102.22 2cr4 n GLY 94 Ca 0.08 0.96 -0.02 0.00 0.00 0.00 0.00 46.02 47.04 2cr4 n GLY 94 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cr4 h SER 95 N 0.00 0.05 -0.40 1.61 0.02 -1.82 -2.06 113.55 110.95 2cr4 h SER 95 Ca 0.11 0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.23 2cr4 h SER 95 Cb 0.29 0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.85 2cr4 h SER 95 CO -0.66 0.05 -0.21 -0.03 -1.14 0.00 0.00 176.83 174.84 2cr4 h MET 96 N 0.27 -0.14 -0.33 3.45 4.05 -0.34 -0.04 114.93 121.86 2cr4 h MET 96 Ca 0.26 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.75 2cr4 h MET 96 Cb 0.34 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.11 2cr4 h MET 96 CO -0.32 -0.09 -0.05 0.28 0.23 0.00 0.00 176.91 176.95 2cr4 h VAL 97 N -0.14 0.70 -0.02 -5.77 2.07 -0.38 0.10 116.25 112.80 2cr4 h VAL 97 Ca 0.19 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2cr4 h VAL 97 Cb 0.44 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2cr4 h VAL 97 CO -0.49 0.01 0.01 -0.33 0.02 0.00 0.00 177.57 176.79 2cr4 h GLU 98 N 0.03 0.00 -0.08 1.57 5.08 -0.85 -1.14 114.58 119.19 2cr4 h GLU 98 Ca 0.16 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2cr4 h GLU 98 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2cr4 h GLU 98 CO -0.31 0.00 -0.18 1.25 -1.00 0.00 0.00 179.01 178.77 2cr4 h HIS 99 N 0.00 0.33 -0.14 4.33 2.76 0.81 -3.19 115.15 120.05 2cr4 h HIS 99 Ca 0.01 -0.12 -0.06 0.00 -2.20 0.00 0.00 60.37 58.00 2cr4 h HIS 99 Cb 0.03 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2cr4 h HIS 99 CO 0.00 0.79 -0.16 1.88 -1.30 0.00 0.00 177.93 179.13 2cr4 h TYR 100 N -0.21 0.24 -1.01 5.26 0.05 -0.65 -2.59 116.97 118.05 2cr4 h TYR 100 Ca 0.00 -0.03 0.29 0.00 0.05 0.00 0.00 58.73 59.04 2cr4 h TYR 100 Cb 0.77 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.41 2cr4 h TYR 100 CO 0.11 0.39 1.17 0.45 -1.05 0.00 0.00 178.16 179.24 2cr4 h HIS 101 N 0.21 0.00 0.00 4.88 3.86 -1.21 0.46 115.15 123.36 2cr4 h HIS 101 Ca 0.04 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2cr4 h HIS 101 Cb 0.42 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 2cr4 h HIS 101 CO 0.01 0.00 -1.14 0.25 0.86 0.00 0.00 177.93 177.91 2cr4 n THR 102 N -3.29 0.06 -3.61 2.45 -2.24 -1.06 -4.85 114.28 101.74 2cr4 n THR 102 Ca 0.23 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.53 2cr4 n THR 102 Cb 1.48 -0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 69.54 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 -2.14 3.49 0.40 4.78 4.02 0.16 -5.07 115.29 120.94 2cr4 s HIS 103 Ca -0.01 -2.27 -0.23 0.00 1.02 0.00 0.00 55.06 53.58 2cr4 s HIS 103 Cb 0.01 -3.40 -0.14 0.00 -1.02 0.00 0.00 32.58 28.04 2cr4 s HIS 103 CO 0.11 -0.94 0.44 1.55 1.02 0.00 0.00 174.74 176.92 2cr4 n VAL 104 N 4.24 1.51 -1.65 -0.90 3.14 -1.24 -4.40 118.33 119.04 2cr4 n VAL 104 Ca 0.01 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.57 2cr4 n VAL 104 Cb 0.41 -0.38 0.06 0.00 -1.06 0.00 0.00 33.84 32.86 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 2.45 3.31 0.81 6.55 1.43 -0.58 -4.97 118.68 127.68 2cr4 s LEU 105 Ca 0.62 1.96 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 2cr4 s LEU 105 Cb -0.64 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.12 2cr4 s LEU 105 CO 0.59 -1.72 1.09 -2.16 0.23 0.00 0.00 176.35 174.38 2cr4 s PRO 106 N -4.27 1.96 -0.84 1.29 0.04 -1.26 -3.78 135.00 128.15 2cr4 s PRO 106 Ca 0.66 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2cr4 s PRO 106 Cb -0.20 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2cr4 s PRO 106 CO 0.45 -1.82 0.00 -1.13 0.04 0.00 0.00 177.00 174.54 2cr4 n SER 107 N -3.63 -3.55 -1.96 6.66 3.41 -1.26 -4.98 113.62 108.31 2cr4 n SER 107 Ca 0.08 0.10 -0.06 0.00 -0.26 0.00 0.00 58.87 58.74 2cr4 n SER 107 Cb 0.54 -2.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.15 2cr4 n SER 107 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2cr4 n HIS 108 N -3.39 -1.42 -0.02 7.33 -0.00 -1.25 -5.10 115.22 111.37 2cr4 n HIS 108 Ca -0.10 -1.05 -0.06 0.00 -0.00 0.00 0.00 57.72 56.51 2cr4 n HIS 108 Cb 0.44 0.40 -0.02 0.00 -0.00 0.00 0.00 29.99 30.81 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 0.20 -2.62 1.57 10.64 -1.26 -4.88 117.38 120.75 2cr4 n GLN 109 Ca -0.03 0.08 -0.13 0.00 -1.83 0.00 0.00 57.00 55.10 2cr4 n GLN 109 Cb 0.30 -0.85 0.02 0.00 -0.86 0.00 0.00 30.24 28.85 2cr4 n GLN 109 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2cr4 n SER 110 N -3.72 2.26 -4.33 2.61 2.88 -1.26 -4.92 113.62 107.14 2cr4 n SER 110 Ca -0.11 -2.94 -0.46 0.00 -1.33 0.00 0.00 58.87 54.03 2cr4 n SER 110 Cb 0.35 -0.51 -0.04 0.00 -0.75 0.00 0.00 64.21 63.26 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2cr4 s LEU 111 N -3.24 6.08 0.44 2.46 2.96 -1.26 -5.03 118.68 121.08 2cr4 s LEU 111 Ca 0.32 -1.84 0.06 0.00 -0.22 0.00 0.00 54.13 52.45 2cr4 s LEU 111 Cb 0.44 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2cr4 s LEU 111 CO -0.02 -0.88 0.18 -0.76 -1.32 0.00 0.00 176.35 173.55 2cr4 s LEU 112 N 1.65 2.98 -0.39 -0.68 1.43 -1.26 -1.53 118.68 120.88 2cr4 s LEU 112 Ca 0.07 -1.17 -0.18 0.00 -1.03 0.00 0.00 54.13 51.82 2cr4 s LEU 112 Cb -0.26 -1.31 0.01 0.00 0.03 0.00 0.00 46.19 44.66 2cr4 s LEU 112 CO 0.02 -0.63 0.52 -0.76 0.23 0.00 0.00 176.35 175.73 2cr4 s LEU 113 N -3.93 4.51 -0.14 1.79 1.43 -1.26 -4.42 118.68 116.66 2cr4 s LEU 113 Ca 0.37 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 2cr4 s LEU 113 Cb 0.03 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 2cr4 s LEU 113 CO 0.20 -0.57 -0.29 0.54 0.23 0.00 0.00 176.35 176.46 2cr4 n ARG 114 N 5.83 0.44 -4.36 1.70 1.74 -1.24 -4.74 116.66 116.03 2cr4 n ARG 114 Ca -0.05 0.17 -0.20 0.00 -0.77 0.00 0.00 57.85 57.01 2cr4 n ARG 114 Cb 0.48 -1.27 -0.15 0.00 -1.02 0.00 0.00 32.46 30.50 2cr4 n ARG 114 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2cr4 s HIS 115 N -2.73 0.88 1.17 -1.55 3.76 -1.26 -5.03 115.29 110.53 2cr4 s HIS 115 Ca -0.24 -0.21 -0.18 0.00 -0.15 0.00 0.00 55.06 54.28 2cr4 s HIS 115 Cb 0.03 -0.62 0.27 0.00 1.11 0.00 0.00 32.58 33.37 2cr4 s HIS 115 CO 0.36 -0.08 1.11 -1.25 -0.85 0.00 0.00 174.74 174.02 2cr4 s PRO 116 N 0.13 -1.00 0.32 8.40 0.04 -1.26 -2.07 135.00 139.56 2cr4 s PRO 116 Ca -0.02 0.01 -0.10 0.00 0.04 0.00 0.00 61.00 60.94 2cr4 s PRO 116 Cb -0.07 -1.62 -0.07 0.00 0.04 0.00 0.00 34.50 32.78 2cr4 s PRO 116 CO 0.00 -3.58 0.66 -0.47 0.04 0.00 0.00 177.00 173.65 2cr4 s TYR 117 N -3.00 3.44 0.00 0.56 5.04 0.45 -4.25 117.35 119.59 2cr4 s TYR 117 Ca 0.70 0.95 0.00 0.00 -2.44 0.00 0.00 57.07 56.28 2cr4 s TYR 117 Cb -0.11 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.86 2cr4 s TYR 117 CO 0.56 0.09 0.00 0.41 -1.34 0.00 0.00 175.55 175.27 2cr4 n GLY 118 N -0.74 1.19 3.55 8.97 0.00 -1.26 -3.18 105.19 113.72 2cr4 n GLY 118 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.29 -5.17 1.61 9.36 -1.26 -5.02 117.16 116.39 2cr4 n TYR 119 Ca 0.00 0.17 -0.32 0.00 3.32 0.00 0.00 57.90 61.07 2cr4 n TYR 119 Cb 0.00 -1.84 -0.17 0.00 -0.63 0.00 0.00 39.34 36.70 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 -2.50 2.19 0.18 2.97 -1.32 -1.26 -4.95 115.64 110.95 2cr4 s THR 120 Ca 0.66 -0.98 0.08 0.00 -1.21 0.00 0.00 61.69 60.24 2cr4 s THR 120 Cb -0.23 -1.84 -0.04 0.00 -1.51 0.00 0.00 72.50 68.88 2cr4 s THR 120 CO 0.62 0.56 -0.17 -0.94 -2.21 0.00 0.00 174.62 172.48 2cr4 s SER 121 N 0.24 2.65 0.00 8.08 1.04 -1.26 -5.11 113.70 119.34 2cr4 s SER 121 Ca -0.15 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2cr4 s SER 121 Cb -0.17 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.80 2cr4 s SER 121 CO 0.08 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2cr4 n GLY 122 N -0.00 4.27 3.57 7.32 0.00 -1.26 -5.04 105.19 114.05 2cr4 n GLY 122 Ca -0.11 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 2cr4 n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr4 s PRO 123 N -4.98 2.92 0.06 1.61 0.04 -1.26 -4.76 135.00 128.63 2cr4 s PRO 123 Ca 0.00 0.88 -0.02 0.00 0.04 0.00 0.00 61.00 61.90 2cr4 s PRO 123 Cb 0.00 -4.30 -0.01 0.00 0.04 0.00 0.00 34.50 30.23 2cr4 s PRO 123 CO 0.00 -2.37 -0.04 0.43 0.04 0.00 0.00 177.00 175.06 2cr4 n SER 124 N 11.67 1.15 -4.31 6.66 7.64 -1.26 -5.04 113.62 130.14 2cr4 n SER 124 Ca 0.21 0.15 -0.33 0.00 1.01 0.00 0.00 58.87 59.91 2cr4 n SER 124 Cb 0.50 -0.37 -0.15 0.00 -1.01 0.00 0.00 64.21 63.18 2cr4 n SER 124 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cr4 s SER 125 N -5.93 3.87 0.00 6.43 0.15 -1.26 -5.34 113.70 111.62 2cr4 s SER 125 Ca -0.03 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2cr4 s SER 125 Cb 0.00 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 2cr4 s SER 125 CO 0.05 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.20